{ "conflicts": [], "coverage": { "cells": {}, "data_levels": {}, "single_method_states": [], "states": [], "techniques": [ "xray", "cryoem", "neutron", "nmr_structure", "nmr_shifts", "force_spectroscopy", "af_prediction", "md" ], "unmapped_evidence": 474 }, "curation": { "as_of": "", "curator": "none", "file": "", "status": "uncurated" }, "evidence": [ { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "BSM" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2BSM", "evidence_id": "EV-PDB-2BSM-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.05 }, "provenance": { "deposit_id": "2BSM", "doi": "10.1021/jm050355z", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2BSM" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Novel, potent small molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "NI", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HSP90 (chains E,F,G,H)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2C2L", "evidence_id": "EV-PDB-2C2L-2", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.3 }, "provenance": { "deposit_id": "2C2L", "doi": "10.1016/J.MOLCEL.2005.09.023", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2C2L" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the CHIP U-box E3 ubiquitin ligase" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ZZ5" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2WI5", "evidence_id": "EV-PDB-2WI5-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "2WI5", "doi": "10.1021/JM900357Y", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2WI5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ZZ4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN, HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2WI4", "evidence_id": "EV-PDB-2WI4-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.4 }, "provenance": { "deposit_id": "2WI4", "doi": "10.1021/JM900357Y", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2WI4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "MG", "ZZ3" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN, HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2WI3", "evidence_id": "EV-PDB-2WI3-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "2WI3", "doi": "10.1021/JM900357Y", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2WI3" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "DMS", "ZZ3" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2WI2", "evidence_id": "EV-PDB-2WI2-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.09 }, "provenance": { "deposit_id": "2WI2", "doi": "10.1021/JM900357Y", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2WI2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "MG", "ZZ2" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2WI1", "evidence_id": "EV-PDB-2WI1-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "2WI1", "doi": "10.1021/JM900357Y", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2WI1" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2EQ" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2VCJ", "evidence_id": "EV-PDB-2VCJ-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.5 }, "provenance": { "deposit_id": "2VCJ", "doi": "10.1021/jm701018h", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2VCJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "4,5 Diaryl Isoxazole Hsp90 Chaperone Inhibitors: Potential Therapeutic Agents for the Treatment of Cancer" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2GJ" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2VCI", "evidence_id": "EV-PDB-2VCI-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "2VCI", "doi": "10.1021/jm701018h", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2VCI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "4,5 Diaryl Isoxazole Hsp90 Chaperone Inhibitors: Potential Therapeutic Agents for the Treatment of Cancer" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2GG", "MG", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2UWD", "evidence_id": "EV-PDB-2UWD-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "2UWD", "doi": "10.1158/1535-7163.MCT-07-0149", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2UWD" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Inhibition of the HSP90 molecular chaperone in vitro and in vivo by novel, synthetic, potent resorcinylic pyrazole, isoxazole amide analogs" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A91" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -163.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2QG2", "evidence_id": "EV-PDB-2QG2-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "2QG2", "doi": "10.1111/j.1747-0285.2007.00535.x", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2QG2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 complexed with A917985" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A94" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -163.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2QG0", "evidence_id": "EV-PDB-2QG0-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.85 }, "provenance": { "deposit_id": "2QG0", "doi": "10.1111/j.1747-0285.2007.00535.x", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2QG0" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 complexed with A943037" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A13", "A51" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -163.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2QFO", "evidence_id": "EV-PDB-2QFO-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.68 }, "provenance": { "deposit_id": "2QFO", "doi": "10.1111/j.1747-0285.2007.00535.x", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2QFO" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 complexed with A143571 and A516383" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A56" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -163.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B,C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2QF6", "evidence_id": "EV-PDB-2QF6-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.1 }, "provenance": { "deposit_id": "2QF6", "doi": "10.1111/j.1747-0285.2007.00535.x", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2QF6" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 complexed with A56322" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.4, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2K5B", "evidence_id": "EV-PDB-2K5B-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2K5B", "doi": "10.1074/jbc.M806715200", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2K5B" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Human CDC37-HSP90 docking model based on NMR" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "DMS", "LGA" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.8, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2JJC", "evidence_id": "EV-PDB-2JJC-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.95 }, "provenance": { "deposit_id": "2JJC", "doi": "10.1021/JM8000373", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2JJC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90 alpha ATPase domain with bound small molecule fragment" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "DZ8" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha 4 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2H55", "evidence_id": "EV-PDB-2H55-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "2H55", "doi": "10.1021/jm060297x", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2H55" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of human Hsp90-alpha bound to the potent water soluble inhibitor PU-DZ8" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "H71" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2FWZ", "evidence_id": "EV-PDB-2FWZ-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "2FWZ", "doi": "10.1021/jm060297x", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2FWZ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of human Hsp90-alpha bound to the potent water soluble inhibitor PU-H71" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "H64" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2FWY", "evidence_id": "EV-PDB-2FWY-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "2FWY", "doi": "10.1021/jm060297x", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2FWY" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of human Hsp90-alpha bound to the potent water soluble inhibitor PU-H64" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2D9" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP-90 ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2CCU", "evidence_id": "EV-PDB-2CCU-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.7 }, "provenance": { "deposit_id": "2CCU", "doi": "10.1016/j.bmcl.2006.01.099", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2CCU" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HUMAN HSP90 WITH 4-CHLORO-6-(4-(4-(4-METHANESULPHONYL-BENZYL)- PIERAZIN-1-YL)-1H-PYRAZOL-3-YL)-BENZENE-1,3-DIOL" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2E1" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP-90 ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2CCT", "evidence_id": "EV-PDB-2CCT-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "2CCT", "doi": "10.1016/j.bmcl.2006.01.099", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2CCT" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HUMAN HSP90 WITH 5-(5-CHLORO-2,4-DIHYDROXY-PHENYL)-4-PIPERAZIN-1-YL- 2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYLAMIDE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "4BH" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP-90 ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2CCS", "evidence_id": "EV-PDB-2CCS-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.79 }, "provenance": { "deposit_id": "2CCS", "doi": "10.1016/j.bmcl.2006.01.099", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2CCS" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HUMAN HSP90 WITH 4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-3-YL)- BENZENE-1,2-DIOL" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "AB4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP90-ALPHA (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2BZ5", "evidence_id": "EV-PDB-2BZ5-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "2BZ5", "doi": "10.1016/J.BMCL.2005.08.092", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2BZ5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure-based Discovery of a New Class of Hsp90 Inhibitors" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2DD" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2BYI", "evidence_id": "EV-PDB-2BYI-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "2BYI", "doi": "10.1016/J.BMCL.2005.08.091", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2BYI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "3-(5-chloro-2,4-dihydroxyphenyl)-pyrazole-4-carboxamides as Inhibitors of the Hsp90 Molecular Chaperone" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2D7" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2BYH", "evidence_id": "EV-PDB-2BYH-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "2BYH", "doi": "10.1016/J.BMCL.2005.08.091", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2BYH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "3-(5-chloro-2,4-dihydroxyphenyl)-pyrazole-4-carboxamides as Inhibitors of the Hsp90 Molecular Chaperone" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "HSP90 (chains B)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2BUG", "evidence_id": "EV-PDB-2BUG-2", "mappings": [], "molecule_id": "P07900", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2BUG", "doi": "10.1016/J.STR.2005.12.009", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2BUG" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Solution structure of the TPR domain from Protein phosphatase 5 in complex with Hsp90 derived peptide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CT5" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP90-ALPHA (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2BT0", "evidence_id": "EV-PDB-2BT0-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "2BT0", "doi": "10.1021/jm050355z", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2BT0" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Novel, potent small molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ADP", "MG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/21FE", "evidence_id": "EV-PDB-21FE-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "21FE", "doi": "10.1002/pro.70619", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/21FE" }, "reader": null, "source_kind": "deposit", "technique": "neutron", "title": "Neutron crystal structure of the ADP bound form of the human Hsp90 N-terminal domain" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/21FD", "evidence_id": "EV-PDB-21FD-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "21FD", "doi": "10.1002/pro.70619", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/21FD" }, "reader": null, "source_kind": "deposit", "technique": "neutron", "title": "Neutron crystal structure of the apo form of the human Hsp90 N-terminal domain" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GDM" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "HEAT SHOCK PROTEIN 90 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1YET", "evidence_id": "EV-PDB-1YET-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "1YET", "doi": "10.1016/S0092-8674(00)80203-2", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1YET" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "GELDANAMYCIN BOUND TO THE HSP90 GELDANAMYCIN-BINDING DOMAIN" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "HEAT SHOCK PROTEIN 90 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1YES", "evidence_id": "EV-PDB-1YES-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "1YES", "doi": "10.1016/S0092-8674(00)80203-2", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1YES" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HUMAN HSP90 GELDANAMYCIN-BINDING DOMAIN, \"OPEN\" CONFORMATION" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "HEAT SHOCK PROTEIN 90 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1YER", "evidence_id": "EV-PDB-1YER-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.65 }, "provenance": { "deposit_id": "1YER", "doi": "10.1016/S0092-8674(00)80203-2", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1YER" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HUMAN HSP90 GELDANAMYCIN-BINDING DOMAIN, \"CLOSED\" CONFORMATION" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "43P" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 9.0, "salt_mM": null, "temperature_c": -163.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1YC4", "evidence_id": "EV-PDB-1YC4-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.81 }, "provenance": { "deposit_id": "1YC4", "doi": "10.1016/j.bmcl.2004.12.087", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1YC4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of human HSP90alpha complexed with dihydroxyphenylpyrazoles" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "4BC" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 9.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1YC3", "evidence_id": "EV-PDB-1YC3-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.12 }, "provenance": { "deposit_id": "1YC3", "doi": "10.1016/j.bmcl.2004.12.087", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1YC3" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of human HSP90alpha complexed with dihydroxyphenylpyrazoles" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "4BC" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 9.0, "salt_mM": null, "temperature_c": -168.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1YC1", "evidence_id": "EV-PDB-1YC1-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "1YC1", "doi": "10.1016/j.bmcl.2004.12.087", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1YC1" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structures of human HSP90alpha complexed with dihydroxyphenylpyrazoles" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1UYL", "evidence_id": "EV-PDB-1UYL-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.4 }, "provenance": { "deposit_id": "1UYL", "doi": "10.1016/J.CHEMBIOL.2004.03.033", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1UYL" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure-Activity Relationships in purine-based inhibitor binding to HSP90 isoforms" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PUX" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1UYK", "evidence_id": "EV-PDB-1UYK-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "1UYK", "doi": "10.1016/J.CHEMBIOL.2004.03.033", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1UYK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Hsp90-alpha with 8-Benzo[1,3]dioxol-,5-ylmethyl-9-butyl-2-fluoro-9H-purin-6-ylamine" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PUZ" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1UYI", "evidence_id": "EV-PDB-1UYI-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "1UYI", "doi": "10.1016/J.CHEMBIOL.2004.03.033", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1UYI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Hsp90-alpha with 8-(2,5-dimethoxy-benzyl)-2-fluoro-9-pent-9H-purin-6-ylamine" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PU0" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1UYH", "evidence_id": "EV-PDB-1UYH-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "1UYH", "doi": "10.1016/J.CHEMBIOL.2004.03.033", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1UYH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Hsp90-alpha with 9-Butyl-8-(2,5-dimethoxy-benzyl)-2-fluoro-9H-purin-6-ylamine" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PU2" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1UYG", "evidence_id": "EV-PDB-1UYG-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "1UYG", "doi": "10.1016/J.CHEMBIOL.2004.03.033", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1UYG" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Hsp90-alpha with 8-(2,5-dimethoxy-benzyl)-2-fluoro-9H-purin-6-ylamine" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PU1" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1UYF", "evidence_id": "EV-PDB-1UYF-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "1UYF", "doi": "10.1016/J.CHEMBIOL.2004.03.033", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1UYF" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Hsp90-alpha with 8-(2-chloro-3,4,5-trimethoxy-benzyl)-2-fluoro-9-pent-4-ylnyl-9H-purin-6-ylamine" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PU9" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1UYE", "evidence_id": "EV-PDB-1UYE-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "1UYE", "doi": "10.1016/J.CHEMBIOL.2004.03.033", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1UYE" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Hsp90-alpha with 8-(2-chloro-3,4,5-trimethoxy-benzyl)-9-pent-4-ylnyl-9H-purin-6-ylamine" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PU8" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1UYD", "evidence_id": "EV-PDB-1UYD-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "1UYD", "doi": "10.1016/J.CHEMBIOL.2004.03.033", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1UYD" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Hsp90-alpha with 9-Butyl-8-(2-chloro-3,4,5-trimethoxy-benzyl)-9H-purin-6-ylamine" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PU7" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1UYC", "evidence_id": "EV-PDB-1UYC-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "1UYC", "doi": "10.1016/J.CHEMBIOL.2004.03.033", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1UYC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Hsp90-alpha with 9-Butyl-8-(2,5-dimethoxy-benzyl)-9H-purin-6-ylamine" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PU6" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1UY9", "evidence_id": "EV-PDB-1UY9-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "1UY9", "doi": "10.1016/J.CHEMBIOL.2004.03.033", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1UY9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Hsp90-alpha with 8-Benzo[1,3]dioxol-,5-ylmethyl-9-butyl-9H-purin-6-ylamine" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PU5" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1UY8", "evidence_id": "EV-PDB-1UY8-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.98 }, "provenance": { "deposit_id": "1UY8", "doi": "10.1016/J.CHEMBIOL.2004.03.033", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1UY8" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Hsp90-alpha with 9-Butyl-8-(3-trimethoxy-benzyl)-9H-purin-6ylamine" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PU4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1UY7", "evidence_id": "EV-PDB-1UY7-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "1UY7", "doi": "10.1016/J.CHEMBIOL.2004.03.033", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1UY7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Hsp90-alpha with 9-Butyl-8-(4-methoxy-benzyl)-9H-purin-6-ylamine" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PU3" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1UY6", "evidence_id": "EV-PDB-1UY6-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "1UY6", "doi": "10.1016/J.CHEMBIOL.2004.03.033", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1UY6" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Hsp90-alpha with 9-Butyl-8-(3,4,5-trimethoxy-benzyl)-9H-purin-6-ylamine" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ACY", "KOS", "MPD" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -168.15 }, "construct": { "description": "heat shock 90kDa protein 1, alpha; heat shock 90kD protein 1, alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1OSF", "evidence_id": "EV-PDB-1OSF-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.75 }, "provenance": { "deposit_id": "1OSF", "doi": "10.1016/S1074-5521(03)00075-9", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1OSF" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Hsp90 in complex with 17-desmethoxy-17-N,N-Dimethylaminoethylamino-Geldanamycin" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ADP", "MG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -165.15 }, "construct": { "description": "PROTEIN (HEAT SHOCK PROTEIN 90) (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BYQ", "evidence_id": "EV-PDB-1BYQ-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5 }, "provenance": { "deposit_id": "1BYQ", "doi": "10.1083/jcb.143.4.901", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BYQ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 N-TERMINAL DOMAIN BOUND TO ADP-MG" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ZZ6" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN, HSP90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2WI6", "evidence_id": "EV-PDB-2WI6-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.18 }, "provenance": { "deposit_id": "2WI6", "doi": "10.1021/JM900357Y", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2WI6" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2KL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2WI7", "evidence_id": "EV-PDB-2WI7-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.5 }, "provenance": { "deposit_id": "2WI7", "doi": "10.1021/JM900357Y", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2WI7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "VHD" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA, (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2XAB", "evidence_id": "EV-PDB-2XAB-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "2XAB", "doi": "10.1021/JM100060B", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2XAB" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of HSP90 with an inhibitor bound" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "XDK" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2XDK", "evidence_id": "EV-PDB-2XDK-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.97 }, "provenance": { "deposit_id": "2XDK", "doi": "10.1021/JM100059D", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2XDK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of HSP90 with small molecule inhibitor bound" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2DL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2XDL", "evidence_id": "EV-PDB-2XDL-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.98 }, "provenance": { "deposit_id": "2XDL", "doi": "10.1021/JM100059D", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2XDL" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of HSP90 with small molecule inhibitor bound" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "DMS", "MT0" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2XDS", "evidence_id": "EV-PDB-2XDS-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.97 }, "provenance": { "deposit_id": "2XDS", "doi": "10.1021/JM100059D", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2XDS" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of HSP90 with small molecule inhibitor bound" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "DMS", "LGA", "MG", "MT0" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2XDU", "evidence_id": "EV-PDB-2XDU-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.74 }, "provenance": { "deposit_id": "2XDU", "doi": "10.1021/JM100059D", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2XDU" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of HSP90 with small molecule inhibitor bound" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "WOE" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2XDX", "evidence_id": "EV-PDB-2XDX-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.42 }, "provenance": { "deposit_id": "2XDX", "doi": "10.1021/JM100059D", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2XDX" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of HSP90 with small molecule inhibitor bound" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "C0P" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2XHR", "evidence_id": "EV-PDB-2XHR-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "2XHR", "doi": "10.1021/JM100059D", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2XHR" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of HSP90 with small molecule inhibitor bound" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "C0Y" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2XHT", "evidence_id": "EV-PDB-2XHT-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.27 }, "provenance": { "deposit_id": "2XHT", "doi": "10.1021/JM100059D", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2XHT" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of HSP90 with small molecule inhibitor bound" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "T5M" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2XHX", "evidence_id": "EV-PDB-2XHX-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.801 }, "provenance": { "deposit_id": "2XHX", "doi": "10.1021/JM100059D", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2XHX" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of HSP90 with small molecule inhibitor bound" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "XJG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2XJG", "evidence_id": "EV-PDB-2XJG-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.25 }, "provenance": { "deposit_id": "2XJG", "doi": "10.1021/JM100060B", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2XJG" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of HSP90 with small molecule inhibitor bound" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL", "L81" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2XJJ", "evidence_id": "EV-PDB-2XJJ-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "2XJJ", "doi": "10.1021/JM100060B", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2XJJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of HSP90 with small molecule inhibitor bound" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "XJX" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2XJX", "evidence_id": "EV-PDB-2XJX-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.66 }, "provenance": { "deposit_id": "2XJX", "doi": "10.1021/JM100060B", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2XJX" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of HSP90 with small molecule inhibitor bound" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ADP", "MG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2XK2", "evidence_id": "EV-PDB-2XK2-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.95 }, "provenance": { "deposit_id": "2XK2", "doi": "10.1021/JM100059D", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2XK2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of HSP90 with small molecule inhibitor bound" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4", "XQI" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YE2", "evidence_id": "EV-PDB-2YE2-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "2YE2", "doi": "10.1021/JM200350G", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YE2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 inhibitors and drugs from fragment and virtual screening" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "VXX" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YE3", "evidence_id": "EV-PDB-2YE3-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.95 }, "provenance": { "deposit_id": "2YE3", "doi": "10.1021/JM200350G", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YE3" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 inhibitors and drugs from fragment and virtual screening" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2FY" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YE4", "evidence_id": "EV-PDB-2YE4-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "2YE4", "doi": "10.1021/JM200350G", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YE4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 inhibitors and drugs from fragment and virtual screening" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2A7" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YE5", "evidence_id": "EV-PDB-2YE5-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.73 }, "provenance": { "deposit_id": "2YE5", "doi": "10.1021/JM200350G", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YE5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 inhibitors and drugs from fragment and virtual screening" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2AE" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YE6", "evidence_id": "EV-PDB-2YE6-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.56 }, "provenance": { "deposit_id": "2YE6", "doi": "10.1021/JM200350G", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YE6" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 inhibitors and drugs from fragment and virtual screening" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2GA" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YE7", "evidence_id": "EV-PDB-2YE7-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "2YE7", "doi": "10.1021/JM200350G", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YE7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 inhibitors and drugs from fragment and virtual screening" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2D3", "MG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YE8", "evidence_id": "EV-PDB-2YE8-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "2YE8", "doi": "10.1021/JM200350G", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YE8" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 inhibitors and drugs from fragment and virtual screening" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2D4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YE9", "evidence_id": "EV-PDB-2YE9-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "2YE9", "doi": "10.1021/JM200350G", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YE9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 inhibitors and drugs from fragment and virtual screening" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2A9" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YEA", "evidence_id": "EV-PDB-2YEA-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.73 }, "provenance": { "deposit_id": "2YEA", "doi": "10.1021/JM200350G", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YEA" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 inhibitors and drugs from fragment and virtual screening" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2K4", "CL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YEB", "evidence_id": "EV-PDB-2YEB-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.4 }, "provenance": { "deposit_id": "2YEB", "doi": "10.1021/JM200350G", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YEB" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 inhibitors and drugs from fragment and virtual screening" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4", "XQ0" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YEC", "evidence_id": "EV-PDB-2YEC-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "2YEC", "doi": "10.1021/JM200350G", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YEC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 inhibitors and drugs from fragment and virtual screening" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ADE", "CL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YED", "evidence_id": "EV-PDB-2YED-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "2YED", "doi": "10.1021/JM200350G", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YED" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 inhibitors and drugs from fragment and virtual screening" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2EC", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YEE", "evidence_id": "EV-PDB-2YEE-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "2YEE", "doi": "10.1021/JM200350G", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YEE" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 inhibitors and drugs from fragment and virtual screening" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ANP", "MG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YEF", "evidence_id": "EV-PDB-2YEF-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.55 }, "provenance": { "deposit_id": "2YEF", "doi": "10.1021/JM200350G", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YEF" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 inhibitors and drugs from fragment and virtual screening" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "XQG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YEG", "evidence_id": "EV-PDB-2YEG-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.5 }, "provenance": { "deposit_id": "2YEG", "doi": "10.1021/JM200350G", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YEG" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 inhibitors and drugs from fragment and virtual screening" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2KU", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YEH", "evidence_id": "EV-PDB-2YEH-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "2YEH", "doi": "10.1021/JM200350G", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YEH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 inhibitors and drugs from fragment and virtual screening" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "XQI", "XQK" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YEI", "evidence_id": "EV-PDB-2YEI-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "2YEI", "doi": "10.1021/JM200350G", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YEI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 inhibitors and drugs from fragment and virtual screening" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "MG", "XQK", "ZZ3" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YEJ", "evidence_id": "EV-PDB-2YEJ-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "2YEJ", "doi": "10.1021/JM200350G", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YEJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 inhibitors and drugs from fragment and virtual screening" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "MG", "YI0" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YI0", "evidence_id": "EV-PDB-2YI0-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "2YI0", "doi": "10.1371/JOURNAL.PONE.0044642", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YI0" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structural characterization of 5-Aryl-4-(5-substituted-2-4- dihydroxyphenyl)-1,2,3-thiadiazole Hsp90 inhibitors." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "YI5" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YI5", "evidence_id": "EV-PDB-2YI5-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.5 }, "provenance": { "deposit_id": "2YI5", "doi": "10.1371/JOURNAL.PONE.0044642", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YI5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structural characterization of 5-Aryl-4-(5-substituted-2-4- dihydroxyphenyl)-1,2,3-thiadiazole Hsp90 inhibitors." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "6QM", "MG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YI6", "evidence_id": "EV-PDB-2YI6-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "2YI6", "doi": "10.1371/JOURNAL.PONE.0044642", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YI6" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structural characterization of 5-Aryl-4-(5-substituted-2-4- dihydroxyphenyl)-1,2,3-thiadiazole Hsp90 inhibitors." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "BZ8", "MG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YI7", "evidence_id": "EV-PDB-2YI7-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.4 }, "provenance": { "deposit_id": "2YI7", "doi": "10.1371/JOURNAL.PONE.0044642", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YI7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structural characterization of 5-Aryl-4-(5-substituted-2-4- dihydroxyphenyl)-1,2,3-thiadiazole Hsp90 inhibitors." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "YJW" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YJW", "evidence_id": "EV-PDB-2YJW-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.61 }, "provenance": { "deposit_id": "2YJW", "doi": "10.1021/JM200784M", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YJW" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tricyclic series of Hsp90 inhibitors" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "YJX" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YJX", "evidence_id": "EV-PDB-2YJX-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.83 }, "provenance": { "deposit_id": "2YJX", "doi": "10.1021/JM200784M", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YJX" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tricyclic series of Hsp90 inhibitors" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "YJW", "YJX" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YK2", "evidence_id": "EV-PDB-2YK2-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.74 }, "provenance": { "deposit_id": "2YK2", "doi": "10.1021/JM200784M", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YK2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tricyclic series of Hsp90 inhibitors" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "YK9" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YK9", "evidence_id": "EV-PDB-2YK9-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.32 }, "provenance": { "deposit_id": "2YK9", "doi": "10.1021/JM200784M", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YK9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tricyclic series of Hsp90 inhibitors" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "YKB" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YKB", "evidence_id": "EV-PDB-2YKB-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.93 }, "provenance": { "deposit_id": "2YKB", "doi": "10.1021/JM200784M", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YKB" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tricyclic series of Hsp90 inhibitors" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "YKC" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YKC", "evidence_id": "EV-PDB-2YKC-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.67 }, "provenance": { "deposit_id": "2YKC", "doi": "10.1021/JM200784M", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YKC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tricyclic series of Hsp90 inhibitors" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "YKE" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YKE", "evidence_id": "EV-PDB-2YKE-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.43 }, "provenance": { "deposit_id": "2YKE", "doi": "10.1021/JM200784M", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YKE" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tricyclic series of Hsp90 inhibitors" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "YKI" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YKI", "evidence_id": "EV-PDB-2YKI-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.67 }, "provenance": { "deposit_id": "2YKI", "doi": "10.1021/JM200784M", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YKI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tricyclic series of Hsp90 inhibitors" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "YKJ" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YKJ", "evidence_id": "EV-PDB-2YKJ-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.46 }, "provenance": { "deposit_id": "2YKJ", "doi": "10.1021/JM200784M", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YKJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tricyclic series of Hsp90 inhibitors" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "B2J", "MG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3B24", "evidence_id": "EV-PDB-3B24-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "3B24", "doi": "10.1016/j.bmcl.2011.08.001", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3B24" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90 alpha N-terminal domain in complex with an aminotriazine fragment molecule" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "B2K" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3B25", "evidence_id": "EV-PDB-3B25-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.75 }, "provenance": { "deposit_id": "3B25", "doi": "10.1016/j.bmcl.2011.08.001", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3B25" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90 alpha N-terminal domain in complex with an inhibitor CH4675194" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "B2L" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3B26", "evidence_id": "EV-PDB-3B26-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "3B26", "doi": "10.1016/j.bmcl.2011.08.001", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3B26" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90 alpha N-terminal domain in complex with an inhibitor Ro1127850" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "B2T" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3B27", "evidence_id": "EV-PDB-3B27-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5 }, "provenance": { "deposit_id": "3B27", "doi": "10.1016/j.bmcl.2011.08.001", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3B27" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90 alpha N-terminal domain in complex with an inhibitor Ro4919127" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "B2X", "GOL", "MG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3B28", "evidence_id": "EV-PDB-3B28-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.35 }, "provenance": { "deposit_id": "3B28", "doi": "10.1016/j.bmcl.2011.08.001", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3B28" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90 alpha N-terminal domain in complex with an inhibitor CH5015765" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "BXZ" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -180.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3BM9", "evidence_id": "EV-PDB-3BM9-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "3BM9", "doi": "10.1021/jm701385c", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3BM9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PO4", "PY9" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.4, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3EKR", "evidence_id": "EV-PDB-3EKR-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "3EKR", "doi": "10.1016/j.bmcl.2008.09.081", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3EKR" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "MOJ" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3FT8", "evidence_id": "EV-PDB-3FT8-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "3FT8", "doi": "10.1002/cmdc.200900011", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3FT8" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of HSP90 bound with a noval fragment." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "BD0", "PO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.4, "salt_mM": null, "temperature_c": -175.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3HEK", "evidence_id": "EV-PDB-3HEK-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.95 }, "provenance": { "deposit_id": "3HEK", "doi": "10.1021/cc900056d", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3HEK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 N-terminal domain in complex with 1-{4-[(2R)-1-(5-chloro-2,4-dihydroxybenzoyl)pyrrolidin-2-yl]benzyl}-3,3-difluoropyrrolidinium" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "819" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -171.75 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3HHU", "evidence_id": "EV-PDB-3HHU-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.59 }, "provenance": { "deposit_id": "3HHU", "doi": "10.1111/j.1747-0285.2009.00833.x", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3HHU" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human heat-shock protein 90 (HSP90) in complex with {4-[3-(2,4-dihydroxy-5-isopropyl-phenyl)-5-thioxo- 1,5-dihydro-[1,2,4]triazol-4-yl]-benzyl}-carbamic acid ethyl ester {ZK 2819}" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "42C" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3HYZ", "evidence_id": "EV-PDB-3HYZ-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "3HYZ", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3HYZ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of Hsp90 with fragment 42-C03" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "37D", "42C" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3HZ1", "evidence_id": "EV-PDB-3HZ1-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "3HZ1", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3HZ1" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of Hsp90 with fragments 37-D04 and 42-C03" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "Z64" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3HZ5", "evidence_id": "EV-PDB-3HZ5-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "3HZ5", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3HZ5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of Hsp90 with fragment Z064" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "DMS", "JZC" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3INX", "evidence_id": "EV-PDB-3INX-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.75 }, "provenance": { "deposit_id": "3INX", "doi": "10.1002/cbic.200900494", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3INX" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 N-TERMINAL DOMAIN with pochoxime B" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "4CD", "DMS" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -175.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3K97", "evidence_id": "EV-PDB-3K97-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.95 }, "provenance": { "deposit_id": "3K97", "doi": "10.1021/jm901209q", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3K97" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 N-terminal domain in complex with 4-chloro-6-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "1RC", "PO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.2, "salt_mM": null, "temperature_c": -175.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3K98", "evidence_id": "EV-PDB-3K98-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.4 }, "provenance": { "deposit_id": "3K98", "doi": "10.1021/jm901209q", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3K98" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 N-terminal domain in complex with (1R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PFT" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.2, "salt_mM": null, "temperature_c": -175.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B,C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3K99", "evidence_id": "EV-PDB-3K99-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "3K99", "doi": "10.1021/jm901209q", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3K99" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 N-terminal domain in complex with 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SD1" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -159.65 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains P)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3MNR", "evidence_id": "EV-PDB-3MNR-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "3MNR", "doi": "10.1016/j.chembiol.2010.04.015", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3MNR" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of Benzamide SNX-1321 bound to Hsp90" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "P54" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": null }, "construct": { "description": "HSP90AA1 protein (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3O0I", "evidence_id": "EV-PDB-3O0I-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.47 }, "provenance": { "deposit_id": "3O0I", "doi": "10.1038/nchembio.1335", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3O0I" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor PU-H54" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "MEX" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -163.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3OW6", "evidence_id": "EV-PDB-3OW6-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "3OW6", "doi": "10.1016/j.bmcl.2010.10.010", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3OW6" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of HSP90 with N-Aryl-benzimidazolone I" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "BSM" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -163.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3OWB", "evidence_id": "EV-PDB-3OWB-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.05 }, "provenance": { "deposit_id": "3OWB", "doi": "10.1016/j.bmcl.2010.10.010", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3OWB" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of HSP90 with VER-49009" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "MEY" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -163.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3OWD", "evidence_id": "EV-PDB-3OWD-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.63 }, "provenance": { "deposit_id": "3OWD", "doi": "10.1016/j.bmcl.2010.10.010", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3OWD" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of HSP90 with N-Aryl-benzimidazolone II" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B,C,D,E,F)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3Q6N", "evidence_id": "EV-PDB-3Q6N-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.05 }, "provenance": { "deposit_id": "3Q6N", "doi": "10.1371/journal.pone.0019961", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3Q6N" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of Human MC-HSP90 in P21 space group" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "94M" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3QDD", "evidence_id": "EV-PDB-3QDD-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.79 }, "provenance": { "deposit_id": "3QDD", "doi": "10.1021/jm300810x", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3QDD" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90A N-terminal domain in complex with BIIB021" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "05S", "DMS" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -180.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3QTF", "evidence_id": "EV-PDB-3QTF-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5703 }, "provenance": { "deposit_id": "3QTF", "doi": "10.1016/j.bmcl.2011.02.101", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3QTF" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Design and SAR of macrocyclic Hsp90 inhibitors with increased metabolic stability and potent cell-proliferation activity" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "WOE" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.2, "salt_mM": null, "temperature_c": -175.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3R4M", "evidence_id": "EV-PDB-3R4M-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "3R4M", "doi": "10.1021/jm200128m", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3R4M" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FU5" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.5, "salt_mM": null, "temperature_c": -175.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3R4N", "evidence_id": "EV-PDB-3R4N-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "3R4N", "doi": "10.1021/jm200128m", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3R4N" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FU3" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.5, "salt_mM": null, "temperature_c": -175.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3R4O", "evidence_id": "EV-PDB-3R4O-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.65 }, "provenance": { "deposit_id": "3R4O", "doi": "10.1021/jm200128m", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3R4O" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FU7", "PO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.3, "salt_mM": null, "temperature_c": -175.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3R4P", "evidence_id": "EV-PDB-3R4P-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "3R4P", "doi": "10.1021/jm200128m", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3R4P" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "06J" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -180.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3R92", "evidence_id": "EV-PDB-3R92-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5801 }, "provenance": { "deposit_id": "3R92", "doi": "10.1016/j.bmcl.2011.04.102", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3R92" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "3RP", "PO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.3, "salt_mM": null, "temperature_c": -175.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3RLP", "evidence_id": "EV-PDB-3RLP-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "3RLP", "doi": "10.1016/j.bmcl.2011.04.130", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3RLP" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Co-crystal structure of the HSP90 ATP binding domain in complex with 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "3RQ", "PO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.3, "salt_mM": null, "temperature_c": -175.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3RLQ", "evidence_id": "EV-PDB-3RLQ-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "3RLQ", "doi": "10.1016/j.bmcl.2011.04.130", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3RLQ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Co-crystal structure of the HSP90 ATP binding domain in complex with 4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5- carbonitrile" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "3RR", "PO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.3, "salt_mM": null, "temperature_c": -155.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3RLR", "evidence_id": "EV-PDB-3RLR-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "3RLR", "doi": "10.1016/j.bmcl.2011.04.130", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3RLR" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Co-crystal structure of the HSP90 ATP binding domain in complex with 4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ATP", "MG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -73.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3T0Z", "evidence_id": "EV-PDB-3T0Z-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.192 }, "provenance": { "deposit_id": "3T0Z", "doi": "10.1093/abbs/gms001", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3T0Z" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90 N-terminal domain bound to ATP" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ACP", "MG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -73.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3T10", "evidence_id": "EV-PDB-3T10-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.24 }, "provenance": { "deposit_id": "3T10", "doi": "10.1093/abbs/gms001", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3T10" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 N-terminal domain bound to ACP" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ANP", "MG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -73.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3T1K", "evidence_id": "EV-PDB-3T1K-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5 }, "provenance": { "deposit_id": "3T1K", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3T1K" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 N-terminal domain bound to ANP" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "AGS", "MG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -73.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3T2S", "evidence_id": "EV-PDB-3T2S-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.501 }, "provenance": { "deposit_id": "3T2S", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3T2S" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 N-terminal domain bound to AGS" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "TUH" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3TUH", "evidence_id": "EV-PDB-3TUH-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "3TUH", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3TUH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of the N-terminal domain of an HSP90 in the presence of an the inhibitor ganetespib" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "MES", "VHA" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3VHA", "evidence_id": "EV-PDB-3VHA-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.39 }, "provenance": { "deposit_id": "3VHA", "doi": "10.1016/j.bmcl.2011.11.100", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3VHA" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "MG", "VHC" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3VHC", "evidence_id": "EV-PDB-3VHC-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.41 }, "provenance": { "deposit_id": "3VHC", "doi": "10.1016/j.bmcl.2011.11.100", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3VHC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "VHE" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3VHD", "evidence_id": "EV-PDB-3VHD-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.52 }, "provenance": { "deposit_id": "3VHD", "doi": "10.1016/j.bmcl.2011.11.100", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3VHD" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor, CH5164840" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL", "MG", "WHA" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3WHA", "evidence_id": "EV-PDB-3WHA-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.3 }, "provenance": { "deposit_id": "3WHA", "doi": "10.1016/j.bmc.2013.11.036", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3WHA" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90 alpha N-terminal domain in complex with a tricyclic inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains D,E)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4AIF", "evidence_id": "EV-PDB-4AIF-2", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.006 }, "provenance": { "deposit_id": "4AIF", "doi": "10.1371/JOURNAL.PONE.0053339", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4AIF" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "AIP TPR domain in complex with human Hsp90 peptide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "YUK" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -168.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3WQ9", "evidence_id": "EV-PDB-3WQ9-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "3WQ9", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3WQ9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of Hsp90-alpha N-terminal domain in complex with 2-(4-Hydroxy-cyclohexylamino)-4-[5-(4-phenyl-imidazol-1-yl)-isoquinolin-1-yl]-benzamide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -73.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3T0H", "evidence_id": "EV-PDB-3T0H-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.2 }, "provenance": { "deposit_id": "3T0H", "doi": "10.1093/abbs/gms001", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3T0H" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure insights into mechanisms of ATP hydrolysis and the activation of human Hsp90" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "06T" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -180.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3RKZ", "evidence_id": "EV-PDB-3RKZ-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5693 }, "provenance": { "deposit_id": "3RKZ", "doi": "10.1016/j.bmcl.2011.05.102", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3RKZ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Discovery of a stable macrocyclic o-aminobenzamide Hsp90 inhibitor capable of significantly decreasing tumor volume in a mouse xenograft model." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "06H" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -180.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3R91", "evidence_id": "EV-PDB-3R91-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.579 }, "provenance": { "deposit_id": "3R91", "doi": "10.1016/j.bmcl.2011.03.112", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3R91" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3Q6M", "evidence_id": "EV-PDB-3Q6M-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.0 }, "provenance": { "deposit_id": "3Q6M", "doi": "10.1371/journal.pone.0019961", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3Q6M" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of Human MC-HSP90 in C2221 Space Group" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "DMS", "JZB" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3INW", "evidence_id": "EV-PDB-3INW-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.95 }, "provenance": { "deposit_id": "3INW", "doi": "10.1002/cbic.200900494", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3INW" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 N-TERMINAL DOMAIN with pochoxime A" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "37D" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3HYY", "evidence_id": "EV-PDB-3HYY-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "3HYY", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3HYY" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of Hsp90 with fragment 37-D04" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "MO8" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3FT5", "evidence_id": "EV-PDB-3FT5-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "3FT5", "doi": "10.1002/cmdc.200900011", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3FT5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of HSP90 bound with a novel fragment" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PO4", "PYU" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.4, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3EKO", "evidence_id": "EV-PDB-3EKO-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.55 }, "provenance": { "deposit_id": "3EKO", "doi": "10.1016/j.bmcl.2008.09.081", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3EKO" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SNX" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -160.0 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3D0B", "evidence_id": "EV-PDB-3D0B-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.74 }, "provenance": { "deposit_id": "3D0B", "doi": "10.1016/j.bmcl.2008.05.023", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3D0B" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of Benzamide Tetrahydro-4H-carbazol-4-one bound to Hsp90" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CXZ" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -180.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3BMY", "evidence_id": "EV-PDB-3BMY-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "3BMY", "doi": "10.1021/jm701385c", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3BMY" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "50Q" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HSP90AA1 PROTEIN (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4BQG", "evidence_id": "EV-PDB-4BQG-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "4BQG", "doi": "10.1016/J.BMC.2013.09.018", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4BQG" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "structure of HSP90 with an inhibitor bound" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "RL1" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4L8Z", "evidence_id": "EV-PDB-4L8Z-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.703 }, "provenance": { "deposit_id": "4L8Z", "doi": "10.1016/j.bmcl.2014.03.100", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4L8Z" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of Human Hsp90 with RL1" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "40W" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4XIP", "evidence_id": "EV-PDB-4XIP-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "4XIP", "doi": "10.1016/j.bmcl.2015.01.023", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4XIP" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "3JC" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4W7T", "evidence_id": "EV-PDB-4W7T-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "4W7T", "doi": "10.1021/jm501107q", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4W7T" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of Hsp90-alpha N-domain Bound to the Inhibitor NVP-HSP990" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "990" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4U93", "evidence_id": "EV-PDB-4U93-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.55 }, "provenance": { "deposit_id": "4U93", "doi": "10.1021/jm501107q", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4U93" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of Hsp90-alpha N-domain Bound to the Inhibitor NVP-HSP990" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "JR9" ], "notes": "Entry-level ligand list; 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null, "environment": "in_vitro", "ions": [], "ligands": [ "RL3" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4L90", "evidence_id": "EV-PDB-4L90-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.001 }, "provenance": { "deposit_id": "4L90", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4L90" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of Human Hsp90 with RL3" }, { "conditions": { 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Benzoquinone-Ansamycin-Inspired Macrocyclic Lactams from Shikimic Acid" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FJ1" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4HY6", "evidence_id": "EV-PDB-4HY6-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.649 }, "provenance": { "deposit_id": "4HY6", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4HY6" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ1" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "0TM" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4FCR", "evidence_id": "EV-PDB-4FCR-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.698 }, "provenance": { "deposit_id": "4FCR", "doi": "10.1016/j.bmc.2012.08.050", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4FCR" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2N6" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4FCQ", "evidence_id": "EV-PDB-4FCQ-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.151 }, "provenance": { "deposit_id": "4FCQ", "doi": "10.1016/j.bmc.2012.08.050", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4FCQ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "42C" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4FCP", "evidence_id": "EV-PDB-4FCP-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "4FCP", "doi": "10.1016/j.bmc.2012.08.050", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4FCP" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Targetting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo [2,3-d] pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "RDC" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.2, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4EGK", "evidence_id": "EV-PDB-4EGK-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.69 }, "provenance": { "deposit_id": "4EGK", "doi": "10.1177/1087057112445785", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4EGK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Hsp90-alpha ATPase domain bound to Radicicol" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "B2J" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.2, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4EGI", "evidence_id": "EV-PDB-4EGI-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.79 }, "provenance": { "deposit_id": "4EGI", "doi": "10.1177/1087057112445785", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4EGI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90-alpha ATPase domain in complex with 2-Amino-4-ethylthio-6-methyl-1,3,5-triazine" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "0OY", "MG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.2, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4EGH", "evidence_id": "EV-PDB-4EGH-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "4EGH", "doi": "10.1177/1087057112445785", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4EGH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90-alpha ATPase domain in complex with (4-Hydroxyphenyl)morpholin-4-yl methanone" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "EFU", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4EFU", "evidence_id": "EV-PDB-4EFU-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "4EFU", "doi": "10.1016/j.bmcl.2012.04.121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4EFU" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90 Alpha N-terminal Domain in Complex with an 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"https://www.rcsb.org/structure/4EFT" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90 Alpha N-terminal Domain in Complex with an Inhibitor 3-Cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl)-propionitrile" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "HH6", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4EEH", "evidence_id": "EV-PDB-4EEH-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "4EEH", "doi": 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"description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4CWQ", "evidence_id": "EV-PDB-4CWQ-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "4CWQ", "doi": "10.1016/J.BMC.2014.05.056", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4CWQ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "TV2" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in 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oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4CWO", "evidence_id": "EV-PDB-4CWO-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.31 }, "provenance": { "deposit_id": "4CWO", "doi": "10.1016/J.BMC.2014.05.056", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4CWO" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "6LV" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4CWN", "evidence_id": "EV-PDB-4CWN-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "4CWN", "doi": "10.1016/J.BMC.2014.05.056", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4CWN" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human HSP90 alpha N-terminal domain in complex with an 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"deposit", "technique": "xray", "title": "Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP 90-ALPHA (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4CGW", "evidence_id": "EV-PDB-4CGW-2", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.001 }, "provenance": { "deposit_id": "4CGW", "doi": "10.1016/J.STR.2014.04.001", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": 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"temperature_c": -73.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5J2X", "evidence_id": "EV-PDB-5J2X-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.22 }, "provenance": { "deposit_id": "5J2X", "doi": "10.1038/s41467-017-02258-w", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5J2X" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of Hsp90-alpha N-domain in complex with 5-(5-Bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "6G7" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5J64", "evidence_id": "EV-PDB-5J64-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.38 }, "provenance": { "deposit_id": "5J64", "doi": "10.1038/s41467-017-02258-w", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5J64" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of Hsp90-alpha N-domain in complex with 5-(2,4-Dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "6GC" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5J6L", "evidence_id": "EV-PDB-5J6L-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.75 }, "provenance": { "deposit_id": "5J6L", "doi": "10.1038/s41467-017-02258-w", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5J6L" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of Hsp90-alpha N-domain in complex with N-Butyl-5-[4-(2-fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-benzamide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "6FJ" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5J6M", "evidence_id": "EV-PDB-5J6M-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.64 }, "provenance": { "deposit_id": "5J6M", "doi": "10.1038/s41467-017-02258-w", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5J6M" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of Hsp90-alpha N-domain L107 mutant in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-N-furan-2-ylmethyl-2,4-dihydroxy-N-methyl-benzamide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "6FF" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5J6N", "evidence_id": "EV-PDB-5J6N-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "5J6N", "doi": "10.1038/s41467-017-02258-w", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5J6N" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of Hsp90-alpha N-domain L107A mutant in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propyl-benzenesulfonamide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5J80", "evidence_id": "EV-PDB-5J80-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.17 }, "provenance": { "deposit_id": "5J80", "doi": "10.1038/s41467-017-02258-w", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5J80" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of Apo Hsp90-alpha N-domain L107A mutant" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "6GV" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5J82", "evidence_id": "EV-PDB-5J82-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.17 }, "provenance": { "deposit_id": "5J82", "doi": "10.1038/s41467-017-02258-w", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5J82" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of Hsp90-alpha N-domain in complex 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-isopropyl-N-methyl-benzenesulfonamide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "6GW" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5J86", "evidence_id": "EV-PDB-5J86-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.87 }, "provenance": { "deposit_id": "5J86", "doi": "10.1038/s41467-017-02258-w", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5J86" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of Hsp90-alpha N-domain in complex with 2,4-Dihydroxy-N-methyl-5-(5-oxo-4-o-tolyl-4,5-dihydro-1H-[1,2,4]triazol-3-yl)-N-thiophen-2-ylmethyl-benzamide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "6DL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5J8M", "evidence_id": "EV-PDB-5J8M-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "5J8M", "doi": "10.1038/s41467-017-02258-w", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5J8M" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of Hsp90-alpha N-domain L107A mutant in complex with 5-(5-Bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "6DL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5J8U", "evidence_id": "EV-PDB-5J8U-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.75 }, "provenance": { "deposit_id": "5J8U", "doi": "10.1038/s41467-017-02258-w", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5J8U" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of Hsp90-alpha N-domain L107A mutant in complex with 5-(2,4-Dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "6GC", "DMS" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5J9X", "evidence_id": "EV-PDB-5J9X-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "5J9X", "doi": "10.1038/s41467-017-02258-w", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5J9X" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 in complex with N-Butyl-5-[4-(2-fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-benzamide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "70K" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5LNY", "evidence_id": "EV-PDB-5LNY-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.88 }, "provenance": { "deposit_id": "5LNY", "doi": "10.1021/acs.jmedchem.8b00080", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5LNY" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 WITH indazole derivative" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "70N" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5LO0", "evidence_id": "EV-PDB-5LO0-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "5LO0", "doi": "10.1021/acs.jmedchem.8b00080", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5LO0" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 WITH indazole derivative" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "70L" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5LO1", "evidence_id": "EV-PDB-5LO1-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.7 }, "provenance": { "deposit_id": "5LO1", "doi": "10.1021/acs.jmedchem.8b00080", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5LO1" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 WITH indazole derivative" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "70O" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5LO6", "evidence_id": "EV-PDB-5LO6-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.4 }, "provenance": { "deposit_id": "5LO6", "doi": "10.1021/acs.jctc.8b00230", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5LO6" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 WITH indazole derivative" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "72K" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5LQ9", "evidence_id": "EV-PDB-5LQ9-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "5LQ9", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5LQ9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR200323." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "72Y" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5LR1", "evidence_id": "EV-PDB-5LR1-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.44 }, "provenance": { "deposit_id": "5LR1", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5LR1" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003498614A." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "73J" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5LR7", "evidence_id": "EV-PDB-5LR7-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.86 }, "provenance": { "deposit_id": "5LR7", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5LR7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR567530" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "73S" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5LRL", "evidence_id": "EV-PDB-5LRL-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.33 }, "provenance": { "deposit_id": "5LRL", "doi": "10.1021/acs.jcim.9b00592", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5LRL" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003492875" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "73Z" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5LS1", "evidence_id": "EV-PDB-5LS1-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.85 }, "provenance": { "deposit_id": "5LS1", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5LS1" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR166475" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "7F9", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5M4E", "evidence_id": "EV-PDB-5M4E-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "5M4E", "doi": "10.1021/acs.jmedchem.6b01478", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5M4E" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "7FX", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5M4H", "evidence_id": "EV-PDB-5M4H-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "5M4H", "doi": "10.1021/acs.jmedchem.6b01478", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5M4H" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "9EK" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5NYH", "evidence_id": "EV-PDB-5NYH-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.65 }, "provenance": { "deposit_id": "5NYH", "doi": "10.1021/acs.jmedchem.8b00080", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5NYH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of Hsp90-alpha N-Domain in complex with Indazole derivative" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2EQ" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5NYI", "evidence_id": "EV-PDB-5NYI-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.44 }, "provenance": { "deposit_id": "5NYI", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5NYI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of Hsp90-alpha N-Domain in complex with Resorcinol derivative" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "9R8" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5OCI", "evidence_id": "EV-PDB-5OCI-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.62 }, "provenance": { "deposit_id": "5OCI", "doi": "10.1021/acs.jmedchem.8b00080", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5OCI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Heat Shock Protein 90 bound to 6-Hydroxy-3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "9RZ", "DMS" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5ODX", "evidence_id": "EV-PDB-5ODX-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.82 }, "provenance": { "deposit_id": "5ODX", "doi": "10.1021/acs.jmedchem.8b00080", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5ODX" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of Hsp90-alpha N-Domain in complex with Indazole derivative" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "74E" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure 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"data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5OD7", "evidence_id": "EV-PDB-5OD7-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "5OD7", "doi": "10.1021/acs.jmedchem.8b00080", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5OD7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90 inhibitor desolvation as a rationale to steer on-rates and impact residence time" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "73Y" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5LRZ", "evidence_id": "EV-PDB-5LRZ-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "5LRZ", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5LRZ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003643501" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "70M" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5LO5", "evidence_id": "EV-PDB-5LO5-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.44 }, "provenance": { "deposit_id": "5LO5", "doi": "10.1021/acs.jctc.8b00230", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5LO5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 WITH indole derivative" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "70Z" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5LNZ", "evidence_id": "EV-PDB-5LNZ-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.54 }, "provenance": { "deposit_id": "5LNZ", "doi": "10.1021/acs.jmedchem.8b00080", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5LNZ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 WITH indazole derivative" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "6FJ" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5J20", "evidence_id": "EV-PDB-5J20-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.76 }, "provenance": { "deposit_id": "5J20", "doi": "10.1038/s41467-017-02258-w", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5J20" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-N-furan-2-ylmethyl-2,4-dihydroxy-N-methyl-benzamide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "IEE", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN, HSP90-ALPHA (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5FNC", "evidence_id": "EV-PDB-5FNC-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "5FNC", "doi": "10.1038/nchem.2660", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5FNC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Dynamic Undocking and the Quasi-Bound State as tools for Drug Design" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "4EV" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4YKZ", "evidence_id": "EV-PDB-4YKZ-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.85 }, "provenance": { "deposit_id": "4YKZ", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4YKZ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Heat Shock Protein 90 Bound to CS320" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "4ET", "GOL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4YKX", "evidence_id": "EV-PDB-4YKX-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "4YKX", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4YKX" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Heat Shock Protein 90 Bound to CS318" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "4ER" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4YKU", "evidence_id": "EV-PDB-4YKU-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "4YKU", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4YKU" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Heat Shock Protein 90 Bound to CS311" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "4EQ" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4YKT", "evidence_id": "EV-PDB-4YKT-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.85 }, "provenance": { "deposit_id": "4YKT", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4YKT" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Heat Shock Protein 90 Bound to CS307" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "4EP", "GOL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4YKR", "evidence_id": "EV-PDB-4YKR-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.61 }, "provenance": { "deposit_id": "4YKR", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4YKR" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Heat Shock Protein 90 Bound to CS302" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "4EO" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4YKQ", "evidence_id": "EV-PDB-4YKQ-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.91 }, "provenance": { "deposit_id": "4YKQ", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4YKQ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Heat Shock Protein 90 Bound to CS301" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "9J0" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -168.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,C,E,G)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5ZR3", "evidence_id": "EV-PDB-5ZR3-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.5 }, "provenance": { "deposit_id": "5ZR3", "doi": "10.1021/acs.jmedchem.8b01085", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": 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"molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.497 }, "provenance": { "deposit_id": "5XRE", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5XRE" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor JX1" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "9ZC" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5XRD", "evidence_id": "EV-PDB-5XRD-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.3 }, "provenance": { "deposit_id": "5XRD", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5XRD" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FS7" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "8DU" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5XRB", "evidence_id": "EV-PDB-5XRB-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.65 }, "provenance": { "deposit_id": "5XRB", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5XRB" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ5" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "8CU" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5XR9", "evidence_id": "EV-PDB-5XR9-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.501 }, "provenance": { "deposit_id": "5XR9", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5XR9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of Human Hsp90 with FS6" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "8CR" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5XR5", "evidence_id": "EV-PDB-5XR5-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "5XR5", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5XR5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of Human Hsp90 with FS4" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "8CO" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5XQE", "evidence_id": "EV-PDB-5XQE-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.699 }, "provenance": { "deposit_id": "5XQE", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5XQE" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of Human Hsp90 with FS3" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "8CF" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5XQD", "evidence_id": "EV-PDB-5XQD-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "5XQD", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5XQD" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of Human Hsp90 with FS2" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "9QY", "EDO", "FMT", "MG", "NA" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5VYY", "evidence_id": "EV-PDB-5VYY-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.792 }, "provenance": { "deposit_id": "5VYY", "doi": "10.1021/acs.jmedchem.7b01608", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5VYY" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of human Hsp90-alpha bound to resorcinylic inhibitor BnIm" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "KFY" ], "notes": "Entry-level ligand list; oligosaccharides 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"notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains AAA)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6TN4", "evidence_id": "EV-PDB-6TN4-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.274 }, "provenance": { "deposit_id": "6TN4", "doi": "10.1038/s42004-020-00367-0", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6TN4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CL", "NL8" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains AAA)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6TN5", "evidence_id": "EV-PDB-6TN5-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.165 }, "provenance": { "deposit_id": "6TN5", "doi": "10.1038/s42004-020-00367-0", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6TN5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "K", "NA", "Q2D" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6U98", "evidence_id": "EV-PDB-6U98-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5 }, "provenance": { "deposit_id": "6U98", "doi": "10.1021/jacs.9b09684", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6U98" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90a NTD K58R bound reversibly to sulfonyl fluoride 6" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "Q2J" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6U99", "evidence_id": "EV-PDB-6U99-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "6U99", "doi": "10.1021/jacs.9b09684", "licence": "CC0 1.0 (wwPDB archive 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"doi": "10.1021/jacs.9b09684", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6U9A" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90a NTD K58R bound reversibly to sulfonyl fluoride 5" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "Q2A" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6U9B", "evidence_id": "EV-PDB-6U9B-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.75 }, "provenance": { "deposit_id": "6U9B", "doi": "10.1021/jacs.9b09684", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6U9B" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90a NTD covalently bound to sulfonyl fluoride 5 at K58" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CL", "H9F", "MG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7DMC", "evidence_id": "EV-PDB-7DMC-1", "mappings": [], "molecule_id": "P07900", 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"evidence_id": "EV-PDB-7H9K-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.66 }, "provenance": { "deposit_id": "7H9K", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7H9K" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12478" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AW6" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7H9L", "evidence_id": "EV-PDB-7H9L-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.42 }, "provenance": { "deposit_id": "7H9L", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7H9L" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14229" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AW8" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7H9M", "evidence_id": "EV-PDB-7H9M-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.49 }, "provenance": { "deposit_id": "7H9M", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7H9M" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13527" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AXZ" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7H9N", "evidence_id": "EV-PDB-7H9N-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.35 }, "provenance": { "deposit_id": "7H9N", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7H9N" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13347" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "HX8" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7H9P", "evidence_id": "EV-PDB-7H9P-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.64 }, "provenance": { "deposit_id": "7H9P", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7H9P" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12541" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AX2" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7H9R", "evidence_id": "EV-PDB-7H9R-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.69 }, "provenance": { "deposit_id": "7H9R", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7H9R" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14452" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AXJ" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7H9S", "evidence_id": "EV-PDB-7H9S-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.17 }, "provenance": { "deposit_id": "7H9S", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7H9S" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with FS-3027" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "8K2" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7H9U", "evidence_id": "EV-PDB-7H9U-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.94 }, "provenance": { "deposit_id": "7H9U", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7H9U" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12864" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AXO" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7H9V", "evidence_id": "EV-PDB-7H9V-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.52 }, "provenance": { "deposit_id": "7H9V", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7H9V" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12319" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SLS" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7H9W", "evidence_id": "EV-PDB-7H9W-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.64 }, "provenance": { "deposit_id": "7H9W", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7H9W" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12314" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AXD" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7H9X", "evidence_id": "EV-PDB-7H9X-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.47 }, "provenance": { "deposit_id": "7H9X", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7H9X" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14128" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AXF" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7H9Y", "evidence_id": "EV-PDB-7H9Y-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.11 }, "provenance": { "deposit_id": "7H9Y", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7H9Y" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with NH-0224" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AXH" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7H9Z", "evidence_id": "EV-PDB-7H9Z-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.06 }, "provenance": { "deposit_id": "7H9Z", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7H9Z" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12500" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "54F" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HA0", "evidence_id": "EV-PDB-7HA0-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.47 }, "provenance": { "deposit_id": "7HA0", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HA0" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12546" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AX6" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HA1", "evidence_id": "EV-PDB-7HA1-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.46 }, "provenance": { "deposit_id": "7HA1", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HA1" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with FL0092" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AX8" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HA2", "evidence_id": "EV-PDB-7HA2-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.73 }, "provenance": { "deposit_id": "7HA2", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HA2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14256" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AW0" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HA3", "evidence_id": "EV-PDB-7HA3-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.98 }, "provenance": { "deposit_id": "7HA3", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HA3" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14259" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AW1" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HA4", "evidence_id": "EV-PDB-7HA4-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.61 }, "provenance": { "deposit_id": "7HA4", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HA4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14240" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AW2" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HA5", "evidence_id": "EV-PDB-7HA5-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.53 }, "provenance": { "deposit_id": "7HA5", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HA5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-3550" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AW5" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HA6", "evidence_id": "EV-PDB-7HA6-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "7HA6", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HA6" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with DH-0718" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AW7" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HA7", "evidence_id": "EV-PDB-7HA7-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.27 }, "provenance": { "deposit_id": "7HA7", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HA7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-5947" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AXY" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HA8", "evidence_id": "EV-PDB-7HA8-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.22 }, "provenance": { "deposit_id": "7HA8", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HA8" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14439" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AW9" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HA9", "evidence_id": "EV-PDB-7HA9-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "7HA9", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HA9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13551" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AXB" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HAA", "evidence_id": "EV-PDB-7HAA-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.67 }, "provenance": { "deposit_id": "7HAA", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HAA" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13279" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AXC" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HAB", "evidence_id": "EV-PDB-7HAB-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5 }, "provenance": { "deposit_id": "7HAB", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HAB" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12700" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AX1" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HAC", "evidence_id": "EV-PDB-7HAC-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.68 }, "provenance": { "deposit_id": "7HAC", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HAC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13324" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AX3" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HAD", "evidence_id": "EV-PDB-7HAD-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.59 }, "provenance": { "deposit_id": "7HAD", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HAD" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14363" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AXK" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HAE", "evidence_id": "EV-PDB-7HAE-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.73 }, "provenance": { "deposit_id": "7HAE", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HAE" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13215" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AXM" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HAF", "evidence_id": "EV-PDB-7HAF-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.61 }, "provenance": { "deposit_id": "7HAF", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HAF" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13854" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AXN" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HAG", "evidence_id": "EV-PDB-7HAG-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.53 }, "provenance": { "deposit_id": "7HAG", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HAG" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14186" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AXP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HAH", "evidence_id": "EV-PDB-7HAH-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "7HAH", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HAH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-5160" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AXQ" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HAI", "evidence_id": "EV-PDB-7HAI-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.65 }, "provenance": { "deposit_id": "7HAI", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HAI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-5525" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AXE" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HAJ", "evidence_id": "EV-PDB-7HAJ-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.57 }, "provenance": { "deposit_id": "7HAJ", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HAJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-4122" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AXG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HAK", "evidence_id": "EV-PDB-7HAK-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.72 }, "provenance": { "deposit_id": "7HAK", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HAK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-6793" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AX4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HAL", "evidence_id": "EV-PDB-7HAL-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.65 }, "provenance": { "deposit_id": "7HAL", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HAL" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12580" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AX5" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HAM", "evidence_id": "EV-PDB-7HAM-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.77 }, "provenance": { "deposit_id": "7HAM", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HAM" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14242" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AX7" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HAN", "evidence_id": "EV-PDB-7HAN-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.61 }, "provenance": { "deposit_id": "7HAN", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HAN" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-3286" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AXL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7H9T", "evidence_id": "EV-PDB-7H9T-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.48 }, "provenance": { "deposit_id": "7H9T", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7H9T" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12599" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AX0" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7H9Q", "evidence_id": "EV-PDB-7H9Q-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.51 }, "provenance": { "deposit_id": "7H9Q", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7H9Q" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13944" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AXA" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7H9O", "evidence_id": "EV-PDB-7H9O-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.55 }, "provenance": { "deposit_id": "7H9O", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7H9O" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13146" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "KFY" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6N8X", "evidence_id": "EV-PDB-6N8X-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.49484474369 }, "provenance": { "deposit_id": "6N8X", "doi": "10.1002/prot.25750", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6N8X" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90-alpha bound to PU-11-trans" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "E0G" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6LTK", "evidence_id": "EV-PDB-6LTK-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.141 }, "provenance": { "deposit_id": "6LTK", "doi": "10.3389/fcell.2021.650106", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6LTK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HSP90 in complex with SNX-2112" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AYW" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HAR", 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"description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HBX", "evidence_id": "EV-PDB-7HBX-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.25 }, "provenance": { "deposit_id": "7HBX", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HBX" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with AS-5591" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AW4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HC2", "evidence_id": "EV-PDB-7HC2-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "7HC2", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HC2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with 2X-5009" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AYS" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HC1", "evidence_id": "EV-PDB-7HC1-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.13 }, "provenance": { "deposit_id": "7HC1", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HC1" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with 10T-0263" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AYR" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HC0", "evidence_id": "EV-PDB-7HC0-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.66 }, "provenance": { "deposit_id": "7HC0", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HC0" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of 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"deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with 6R-0009" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AYP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HBY", "evidence_id": "EV-PDB-7HBY-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.82 }, "provenance": { "deposit_id": "7HBY", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HBY" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with 9R-0342" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AY3" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HBW", "evidence_id": "EV-PDB-7HBW-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.91 }, "provenance": { "deposit_id": "7HBW", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HBW" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-4774" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AXT" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HBV", "evidence_id": "EV-PDB-7HBV-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.56 }, "provenance": { "deposit_id": "7HBV", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HBV" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-4833" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "KXQ" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HBU", "evidence_id": 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"data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HBT", "evidence_id": "EV-PDB-7HBT-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.38 }, "provenance": { "deposit_id": "7HBT", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HBT" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-3621" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AXX" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock 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"ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HBQ", "evidence_id": "EV-PDB-7HBQ-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.73 }, "provenance": { "deposit_id": "7HBQ", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HBQ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with FS-2731" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AYL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HBP", "evidence_id": "EV-PDB-7HBP-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.91 }, "provenance": { "deposit_id": "7HBP", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HBP" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13188" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AY1" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HBO", "evidence_id": "EV-PDB-7HBO-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.07 }, "provenance": { "deposit_id": "7HBO", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HBO" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with 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"xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13145" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AYJ" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HBM", "evidence_id": "EV-PDB-7HBM-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.21 }, "provenance": { "deposit_id": "7HBM", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HBM" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13278" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "9TW" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HBL", "evidence_id": "EV-PDB-7HBL-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.65 }, "provenance": { "deposit_id": "7HBL", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HBL" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12214" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AYG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HBK", "evidence_id": "EV-PDB-7HBK-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.14 }, "provenance": { "deposit_id": "7HBK", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HBK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13232" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AYE" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HBJ", "evidence_id": "EV-PDB-7HBJ-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.65 }, "provenance": { "deposit_id": "7HBJ", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HBJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13498" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AYC" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HBH", "evidence_id": "EV-PDB-7HBH-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "7HBH", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HBH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13518" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AYB" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HBG", "evidence_id": "EV-PDB-7HBG-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.69 }, "provenance": { "deposit_id": "7HBG", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HBG" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13237" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AY6" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HBF", "evidence_id": "EV-PDB-7HBF-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.97 }, "provenance": { "deposit_id": "7HBF", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HBF" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12938" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AYZ" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HBE", "evidence_id": "EV-PDB-7HBE-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.79 }, "provenance": { "deposit_id": "7HBE", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HBE" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12771" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AYX" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HBD", "evidence_id": "EV-PDB-7HBD-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "7HBD", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HBD" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12810" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AYV" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HBC", "evidence_id": "EV-PDB-7HBC-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.86 }, "provenance": { "deposit_id": "7HBC", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HBC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13229" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AY4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HBB", "evidence_id": "EV-PDB-7HBB-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.84 }, "provenance": { "deposit_id": "7HBB", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HBB" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13430" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AYO" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HBA", "evidence_id": "EV-PDB-7HBA-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.15 }, "provenance": { "deposit_id": "7HBA", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HBA" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13425" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AYN" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HB9", "evidence_id": "EV-PDB-7HB9-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.89 }, "provenance": { "deposit_id": "7HB9", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HB9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13464" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AXS" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HB8", "evidence_id": "EV-PDB-7HB8-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.85 }, "provenance": { "deposit_id": "7HB8", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HB8" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13480" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "WP1" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HB7", "evidence_id": "EV-PDB-7HB7-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.98 }, "provenance": { "deposit_id": "7HB7", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HB7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12696" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "72R" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HB6", "evidence_id": "EV-PDB-7HB6-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.09 }, "provenance": { "deposit_id": "7HB6", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HB6" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13755" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "6RO" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HB5", "evidence_id": "EV-PDB-7HB5-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "7HB5", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HB5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13078" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AXV" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HB4", "evidence_id": "EV-PDB-7HB4-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.87 }, "provenance": { "deposit_id": "7HB4", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HB4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14472" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AYM" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HB3", "evidence_id": "EV-PDB-7HB3-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.34 }, "provenance": { "deposit_id": "7HB3", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HB3" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13043" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AY2" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HB2", "evidence_id": "EV-PDB-7HB2-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.67 }, "provenance": { "deposit_id": "7HB2", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HB2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with FL0184" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A7Q" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HB1", "evidence_id": "EV-PDB-7HB1-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.66 }, "provenance": { "deposit_id": "7HB1", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HB1" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12936" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AYK" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HB0", "evidence_id": "EV-PDB-7HB0-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.78 }, "provenance": { "deposit_id": "7HB0", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HB0" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12780" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AYI" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HAZ", "evidence_id": "EV-PDB-7HAZ-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.68 }, "provenance": { "deposit_id": "7HAZ", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HAZ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12919" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AYH" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HAY", "evidence_id": "EV-PDB-7HAY-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.27 }, "provenance": { "deposit_id": "7HAY", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HAY" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14271" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AYF" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HAX", "evidence_id": "EV-PDB-7HAX-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.29 }, "provenance": { "deposit_id": "7HAX", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HAX" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13909" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AYD" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HAW", "evidence_id": "EV-PDB-7HAW-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.65 }, "provenance": { "deposit_id": "7HAW", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HAW" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12961" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AY0" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HAV", "evidence_id": "EV-PDB-7HAV-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.45 }, "provenance": { "deposit_id": "7HAV", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HAV" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12879" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AYA" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HAU", "evidence_id": "EV-PDB-7HAU-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.75 }, "provenance": { "deposit_id": "7HAU", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HAU" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13098" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AY5" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HAT", "evidence_id": "EV-PDB-7HAT-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.04 }, "provenance": { "deposit_id": "7HAT", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HAT" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12860" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AYY" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HAS", "evidence_id": "EV-PDB-7HAS-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.08 }, "provenance": { "deposit_id": "7HAS", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HAS" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12355" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AYU" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HAQ", "evidence_id": "EV-PDB-7HAQ-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.55 }, "provenance": { "deposit_id": "7HAQ", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HAQ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13428" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FMQ" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HAP", "evidence_id": "EV-PDB-7HAP-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.35 }, "provenance": { "deposit_id": "7HAP", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HAP" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13088" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AX9" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HAO", "evidence_id": "EV-PDB-7HAO-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.83 }, "provenance": { "deposit_id": "7HAO", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HAO" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13777" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AYT" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7HC3", "evidence_id": "EV-PDB-7HC3-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.22 }, "provenance": { "deposit_id": "7HC3", "doi": "10.1107/S2052252524012247", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7HC3" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with 3T-0629" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ANP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + EMDB map", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7L7J", "evidence_id": "EV-PDB-7L7J-2", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.1 }, "provenance": { "deposit_id": "7L7J", "doi": "10.1016/j.molcel.2021.07.023", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7L7J" }, "reader": null, "source_kind": "deposit", "technique": "cryoem", "title": "Cryo-EM structure of Hsp90:p23 closed-state complex" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "7PP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": 4.85 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7S9I", "evidence_id": "EV-PDB-7S9I-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.75 }, "provenance": { "deposit_id": "7S9I", "doi": "10.1002/anie.202112919", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7S9I" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Room-temperature Human Hsp90a-NTD bound to EC144" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains B)", "labels": [] }, "data_format": "mmCIF + EMDB map", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9YR4", "evidence_id": "EV-PDB-9YR4-2", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.64 }, "provenance": { "deposit_id": "9YR4", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9YR4" }, "reader": null, "source_kind": "deposit", "technique": "cryoem", "title": "Cryo-EM structure of human Tom70 in complex with Hsp90 C-terminal EEVD peptide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1CRY", "BTB", "CA", "GDP", "MG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9XZ1", "evidence_id": "EV-PDB-9XZ1-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.96 }, "provenance": { "deposit_id": "9XZ1", "doi": "10.1016/j.canlet.2025.217691", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9XZ1" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "KRAS(G12C)-RNK07311-HSP90(N-terminus)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ATP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + EMDB map", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9XJ8", "evidence_id": "EV-PDB-9XJ8-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 4.09 }, "provenance": { "deposit_id": "9XJ8", "doi": "10.1038/s41467-026-74519-6", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9XJ8" }, "reader": null, "source_kind": "deposit", "technique": "cryoem", "title": "Cryo-EM structure of Hsp90(E47A)-FKBP8 complex" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9X73", "evidence_id": "EV-PDB-9X73-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "9X73", "doi": "10.1038/s41467-026-73400-w", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9X73" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Hsp90a T115E N-terminal domain" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9X72", "evidence_id": "EV-PDB-9X72-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "9X72", "doi": "10.1038/s41467-026-73400-w", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9X72" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "closed-form Hsp90a T36E N-terminal domain" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and 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], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9QQU", "evidence_id": "EV-PDB-9QQU-2", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.13 }, "provenance": { "deposit_id": "9QQU", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9QQU" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of an engineered TPR domain in complex with the HSP90 peptide MEEVD" }, { "conditions": { "applied_force_pn": null, 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null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ADP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + EMDB map", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KMR", "evidence_id": "EV-PDB-9KMR-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.98 }, "provenance": { "deposit_id": "9KMR", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KMR" }, "reader": null, "source_kind": "deposit", "technique": "cryoem", "title": "Human Hsp90-PINK1 complex" }, { "conditions": { "applied_force_pn": 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[] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8B7J", "evidence_id": "EV-PDB-8B7J-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "8B7J", "doi": "10.1038/s41467-022-35399-8", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8B7J" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Human HSP90 alpha ATP Binding Domain, ATP-lid closed conformation, R46A" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": 19.85 }, "construct": { "description": "HSP90AA1 protein (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8B7I", "evidence_id": "EV-PDB-8B7I-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "8B7I", "doi": "10.1038/s41467-022-35399-8", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8B7I" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Human HSP90 alpha ATP Binding Domain, ATP-lid open conformation, R60A" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "M0U" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8AGL", "evidence_id": "EV-PDB-8AGL-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "8AGL", "doi": "10.3390/ijms23169458", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8AGL" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R in complex with JMC31" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "M0U" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8AGJ", "evidence_id": "EV-PDB-8AGJ-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.32 }, "provenance": { "deposit_id": "8AGJ", "doi": "10.3390/ijms23169458", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8AGJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112A in complex with JMC31" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "M0U" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8AGI", "evidence_id": "EV-PDB-8AGI-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "8AGI", "doi": "10.3390/ijms23169458", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8AGI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of human Heat shock protein 90-alpha 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null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90 alpha inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "7PP", "MG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7S9H", "evidence_id": "EV-PDB-7S9H-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.45 }, "provenance": { "deposit_id": "7S9H", "doi": "10.1002/anie.202112919", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7S9H" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Cryogenic Human Hsp90a-NTD bound to EC144" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "94M", "MG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": 4.85 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7S9G", "evidence_id": "EV-PDB-7S9G-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.79 }, "provenance": { "deposit_id": "7S9G", "doi": "10.1002/anie.202112919", "licence": "CC0 1.0 (wwPDB archive data)", 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"10.1002/anie.202112919", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7S9F" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Cryogenic Human Hsp90a-NTD bound to BIIB021" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "N6M" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": 4.85 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7S99", "evidence_id": "EV-PDB-7S99-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.52 }, "provenance": { "deposit_id": "7S99", "doi": "10.1002/anie.202112919", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7S99" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Room-temperature Human Hsp90a-NTD bound to N6M" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "N6M" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7S98", "evidence_id": "EV-PDB-7S98-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", 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"EV-PDB-7S90-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.79 }, "provenance": { "deposit_id": "7S90", "doi": "10.1002/anie.202112919", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7S90" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Cryogenic Human Hsp90a-NTD bound to adenine" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": 4.85 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": 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"data_level": "processed", "data_link": "https://www.rcsb.org/structure/7S8Y", "evidence_id": "EV-PDB-7S8Y-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.59 }, "provenance": { "deposit_id": "7S8Y", "doi": "10.1002/anie.202112919", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7S8Y" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Cryogenic apo Human Hsp90a-NTD" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "MDC" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7RY1", "evidence_id": "EV-PDB-7RY1-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.523 }, "provenance": { "deposit_id": "7RY1", "doi": "10.1107/S2059798322002261", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7RY1" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "human Hsp90_MC domain structure" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "DMS", "GOL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock 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"construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B,C,D,E,F)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7RXZ", "evidence_id": "EV-PDB-7RXZ-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.152 }, "provenance": { "deposit_id": "7RXZ", "doi": "10.1080/07391102.2022.2146197", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7RXZ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "human Hsp90_MC domain structure" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ONJ" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7LT0", "evidence_id": "EV-PDB-7LT0-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.697 }, "provenance": { "deposit_id": "7LT0", "doi": "10.1002/anie.202015422", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7LT0" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90a N-terminal inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ONG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7LSZ", "evidence_id": "EV-PDB-7LSZ-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "7LSZ", "doi": "10.1002/anie.202015422", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7LSZ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90a N-terminal inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ANP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are 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oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + EMDB map", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7KW7", "evidence_id": "EV-PDB-7KW7-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.57 }, "provenance": { "deposit_id": "7KW7", "doi": "10.1038/s41586-021-04252-1", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7KW7" }, "reader": null, "source_kind": "deposit", "technique": "cryoem", "title": "Atomic cryoEM structure of Hsp90-Hsp70-Hop-GR" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ATP", "DEX", "MG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "Heat shock protein HSP 90-alpha (chains A,B)", "labels": [] }, "data_format": "mmCIF + EMDB map", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7KRJ", "evidence_id": "EV-PDB-7KRJ-1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.56 }, "provenance": { "deposit_id": "7KRJ", "doi": "10.1038/s41586-021-04236-1", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7KRJ" }, "reader": null, "source_kind": "deposit", "technique": "cryoem", "title": "The GR-Maturation Complex: Glucocorticoid Receptor in complex with Hsp90 and co-chaperone p23" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 7.2, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "BMRB data: 13C chemical shifts, 15N chemical shifts, 1H chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=19560", "evidence_id": "EV-BMRB-19560", "mappings": [], "molecule_id": "P07900", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr19560", "doi": "10.13018/BMR19560", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=19560" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "N-terminal and Middle domains of human Hsp90alpha" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 6.4, "salt_mM": null, "temperature_c": 19.85 }, "construct": { "description": "BMRB data: 13C chemical shifts, 15N chemical shifts, 1H chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=34223", "evidence_id": "EV-BMRB-34223", "mappings": [], "molecule_id": "P07900", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr34223", "doi": "10.13018/BMR34223", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=34223" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "NMR structure of the second TPR domain of the human 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"title": "Human HSP90 alpha ATP Binding Domain, ATP-lid open conformation, R60A" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 7.5, "salt_mM": null, "temperature_c": 14.85 }, "construct": { "description": "BMRB data: 13C chemical shifts, 15N chemical shifts, 1H chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=34759", "evidence_id": "EV-BMRB-34759", "mappings": [], "molecule_id": "P07900", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr34759", "doi": "10.13018/BMR34759", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=34759" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Human HSP90 alpha ATP Binding Domain, ATP-lid closed conformation, R46A" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 7.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "BMRB data: 13C chemical shifts, 1H chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=36795", "evidence_id": "EV-BMRB-36795", "mappings": [], "molecule_id": "P07900", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr36795", "doi": "10.13018/BMR36795", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=36795" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Hsp90a N-terminal domain" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 7.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "BMRB data: 13C chemical shifts, 1H chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=36796", "evidence_id": "EV-BMRB-36796", "mappings": [], "molecule_id": "P07900", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr36796", "doi": "10.13018/BMR36796", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=36796" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Hsp90a T36E N-terminal domain" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 7.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "BMRB data: 13C chemical shifts, 1H chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=36797", "evidence_id": "EV-BMRB-36797", "mappings": [], "molecule_id": "P07900", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr36797", "doi": "10.13018/BMR36797", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=36797" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "the closed-form Hsp90a NTD" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 7.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "BMRB data: 13C chemical shifts, 1H chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=36798", "evidence_id": "EV-BMRB-36798", "mappings": [], "molecule_id": "P07900", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr36798", "doi": "10.13018/BMR36798", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=36798" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "closed-form Hsp90a T36E N-terminal domain" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 7.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "BMRB data: 13C chemical shifts, 15N chemical shifts, 1H chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=36799", "evidence_id": "EV-BMRB-36799", "mappings": [], "molecule_id": "P07900", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr36799", "doi": "10.13018/BMR36799", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=36799" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Hsp90a T115E N-terminal domain" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 7.5, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "BMRB data: 13C chemical shifts, 15N chemical shifts, 1H chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=50786", "evidence_id": "EV-BMRB-50786", "mappings": [], "molecule_id": "P07900", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr50786", "doi": "10.13018/BMR50786", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=50786" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "N-terminal domain of human HSP90 alpha1 form" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 7.5, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "BMRB data: 13C chemical shifts, 15N chemical shifts, 1H chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=7003", "evidence_id": "EV-BMRB-7003", "mappings": [], "molecule_id": "P07900", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr7003", "doi": "10.13018/BMR7003", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=7003" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "NMR backbone assignment of the human HSP90 N-terminal domain" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_silico", "ions": [], "ligands": [], "notes": "Computed prediction; no experimental conditions.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "AlphaFold Monomer v2.0 pipeline, residues 1-732", "labels": [] }, "data_format": "mmCIF, PAE JSON", "data_level": "processed", "data_link": "https://alphafold.ebi.ac.uk/entry/P07900", "evidence_id": "EV-AFDB-AF-P07900-F1", "mappings": [], "molecule_id": "P07900", "observable": { "type": "plddt", "uncertainty": null, "unit": "pLDDT", "value": 85.19 }, "provenance": { "deposit_id": "AF-P07900-F1", "doi": null, "licence": "CC BY 4.0", "retrieved": "2026-10-19", "source": "AlphaFold DB", "url": "https://alphafold.ebi.ac.uk/entry/P07900" }, "reader": null, "source_kind": "computed", "technique": "af_prediction", "title": "AlphaFold DB prediction AF-P07900-F1" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_silico", "ions": [], "ligands": [], "notes": "Simulation; temperature is the thermostat setting.", "ph": null, "salt_mM": null, "temperature_c": 26.85 }, "construct": { "description": "start 1YER; Amber Parm99", "labels": [] }, "data_format": "trajectory", "data_level": "processed", "data_link": "https://mmb.mddbr.eu/#/id/A010M/overview", "evidence_id": "EV-MDDB-A010M", "mappings": [], "molecule_id": "P07900", "observable": { "type": "trajectory", "uncertainty": null, "unit": "ns", "value": 10.0 }, "provenance": { "deposit_id": "A010M", "doi": "10.1016/j.str.2010.07.013", "licence": "This trajectory dataset is released under a Creative Commons Attribution 4.0 International Public License", "retrieved": "2026-10-19", "source": "MDDB", "url": "https://mmb.mddbr.eu/#/id/A010M/overview" }, "reader": null, "source_kind": "computed", "technique": "md", "title": "MoDEL 1YER" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_silico", "ions": [], "ligands": [], "notes": "Simulation; temperature is the thermostat setting.", "ph": null, "salt_mM": null, "temperature_c": 26.85 }, "construct": { "description": "start 1YES; Amber Parm99", "labels": [] }, "data_format": "trajectory", "data_level": "processed", "data_link": "https://mmb.mddbr.eu/#/id/A0112/overview", "evidence_id": "EV-MDDB-A0112", "mappings": [], "molecule_id": "P07900", "observable": { "type": "trajectory", "uncertainty": null, "unit": "ns", "value": 10.0 }, "provenance": { "deposit_id": "A0112", "doi": "10.1016/j.str.2010.07.013", "licence": "This trajectory dataset is released under a Creative Commons Attribution 4.0 International Public License", "retrieved": "2026-10-19", "source": "MDDB", "url": "https://mmb.mddbr.eu/#/id/A0112/overview" }, "reader": null, "source_kind": "computed", "technique": "md", "title": "MoDEL 1YES" } ], "models": [], "molecule": { "components": [], "domains": [], "gene": "HSP90AA1", "identifiers": { "genbank": null, "isoform": null, "nakb": null, "pdb": [], "rfam": null, "rnacentral": null, "uniprot": "P07900" }, "ligands": [ "ATP" ], "modifications": [ { "kind": "ptm", "name": "Phosphothreonine; by PRKDC", "position": 5, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphothreonine; by PRKDC", "position": 7, "source": "UniProtKB" }, { "kind": "ptm", "name": "N6-acetyllysine", "position": 58, "source": "UniProtKB" }, { "kind": "ptm", "name": "N6-acetyllysine", "position": 84, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphoserine", "position": 231, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphoserine", "position": 252, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphoserine", "position": 263, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphotyrosine", "position": 313, "source": "UniProtKB" }, { "kind": "ptm", "name": "N6-acetyllysine", "position": 443, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphoserine", "position": 453, "source": "UniProtKB" }, { "kind": "ptm", "name": "N6-acetyllysine", "position": 458, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphoserine", "position": 476, "source": "UniProtKB" }, { "kind": "ptm", "name": "N6-acetyllysine", "position": 489, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphotyrosine", "position": 492, "source": "UniProtKB" }, { "kind": "ptm", "name": "N6-acetyllysine", "position": 585, "source": "UniProtKB" }, { "kind": "ptm", "name": "S-nitrosocysteine", "position": 598, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphoserine", "position": 641, "source": "UniProtKB" } ], "molecule_id": "P07900", "molecule_type": "protein", "name": "Heat shock protein HSP 90-alpha", "organism": { "name": "Homo sapiens", "taxon_id": 9606 }, "provenance": { "deposit_id": "P07900", "doi": null, "licence": "CC BY 4.0 (UniProt)", "retrieved": "2026-10-19", "source": "UniProtKB", "url": "https://www.uniprot.org/uniprotkb/P07900/entry" }, "sequence": "MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAEEKEDKEEEKEKEEKESEDKPEIEDVGSDEEEEKKDGDKKKKKKIKEKYIDQEELNKTKPIWTRNPDDITNEEYGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFVPRRAPFDLFENRKKKNNIKLYVRRVFIMDNCEELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNLVKKCLELFTELAEDKENYKKFYEQFSKNIKLGIHEDSQNRKKLSELLRYYTSASGDEMVSLKDYCTRMKENQKHIYYITGETKDQVANSAFVERLRKHGLEVIYMIEPIDEYCVQQLKEFEGKTLVSVTKEGLELPEDEEEKKKQEEKKTKFENLCKIMKDILEKKVEKVVVSNRLVTSPCCIVTSTYGWTANMERIMKAQALRDNSTMGYMAAKKHLEINPDHSIIETLRQKAEADKNDKSVKDLVILLYETALLSSGFSLEDPQTHANRIYRMIKLGLGIDEDDPTADDTSAAVTEEMPPLEGDDDTSRMEEVD", "sequence_length": 732 }, "molecule_id": "P07900", "states": [], "transitions": [] }