{ "conflicts": [], "coverage": { "cells": { "Hsp90-NTD-apo": { "af_prediction": 0, "integrative": 0, "md": 0, "nmr_shifts": 0, "nmr_structure": 0, "xray": 1 }, "Hsp90-closed": { "af_prediction": 0, "integrative": 0, "md": 0, "nmr_shifts": 0, "nmr_structure": 0, "xray": 1 } }, "data_levels": { "Hsp90-NTD-apo": { "xray": "processed" }, "Hsp90-closed": { "xray": "processed" } }, "single_method_states": [ "Hsp90-closed", "Hsp90-NTD-apo" ], "states": [ "Hsp90-closed", "Hsp90-NTD-apo" ], "techniques": [ "xray", "nmr_structure", "nmr_shifts", "integrative", "af_prediction", "md" ], "unmapped_evidence": 54 }, "curation": { "as_of": "2026-10-19", "curator": "draft (unreviewed)", "file": "P02829.yaml", "status": "draft" }, "evidence": [ { "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": 5.0, "salt_mM": null, "temperature_c": -163.15 }, "construct": { "description": "HEAT SHOCK PROTEIN 90 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1A4H", "evidence_id": "EV-PDB-1A4H-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.5 }, "provenance": { "deposit_id": "1A4H", "doi": "10.1016/S0092-8674(00)80314-1", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1A4H" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "STRUCTURE OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE IN COMPLEX WITH GELDANAMYCIN" }, { "conditions": { "applied_force_pn": 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": 5.0, "salt_mM": null, "temperature_c": -163.15 }, "construct": { "description": "HEAT SHOCK PROTEIN 90 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1AMW", "evidence_id": "EV-PDB-1AMW-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.85 }, "provenance": { "deposit_id": "1AMW", "doi": "10.1016/S0092-8674(00)80314-1", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1AMW" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "ADP BINDING SITE IN THE HSP90 MOLECULAR CHAPERONE" }, { "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": 5.0, "salt_mM": null, "temperature_c": -153.15 }, "construct": { "description": "HEAT SHOCK PROTEIN 90 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BGQ", "evidence_id": "EV-PDB-1BGQ-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.5 }, "provenance": { "deposit_id": "1BGQ", "doi": "10.1021/jm980403y", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BGQ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "RADICICOL BOUND TO THE ATP BINDING SITE OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CD", "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": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP82 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1HK7", "evidence_id": "EV-PDB-1HK7-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.5 }, "provenance": { "deposit_id": "1HK7", "doi": "10.1016/S1097-2765(03)00065-0", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1HK7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Middle Domain of HSP90" }, { "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 HSP82 (chains A,C,E,G)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1USV", "evidence_id": "EV-PDB-1USV-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.7 }, "provenance": { "deposit_id": "1USV", "doi": "10.1038/SJ.EMBOJ.7600141", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1USV" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "The Structure of the complex between Aha1 and HSP90" }, { "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": 4.6, "salt_mM": null, "temperature_c": -161.15 }, "construct": { "description": "HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1ZW9", "evidence_id": "EV-PDB-1ZW9-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "1ZW9", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1ZW9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Yeast HSP82 in complex with the Novel HSP90 Inhibitor 8-(6-Bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isopropylamino-propyl)-adenine" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "RDE" ], "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": "ATP-dependent molecular chaperone HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1ZWH", "evidence_id": "EV-PDB-1ZWH-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.65 }, "provenance": { "deposit_id": "1ZWH", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1ZWH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Yeast Hsp82 in complex with the novel Hsp90 inhibitor Radester amine" }, { "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": "ATP-dependent molecular chaperone HSP82 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2AKP", "evidence_id": "EV-PDB-2AKP-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.94 }, "provenance": { "deposit_id": "2AKP", "doi": "10.1074/jbc.M510142200", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2AKP" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90 Delta24-N210 mutant" }, { "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": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2BRC", "evidence_id": "EV-PDB-2BRC-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "2BRC", "doi": "10.1016/j.bmcl.2005.05.046", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2BRC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of a Hsp90 Inhibitor bound to the N-terminus of Yeast Hsp90." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "KJ2" ], "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": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2BRE", "evidence_id": "EV-PDB-2BRE-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "2BRE", "doi": "10.1016/j.bmcl.2005.05.046", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2BRE" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "STRUCTURE OF A HSP90 INHIBITOR BOUND TO THE N-TERMINUS OF YEAST HSP90." }, { "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": 7.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2CG9", "evidence_id": "EV-PDB-2CG9-1", "mappings": [ { "confidence": "medium", "justification": "Closed conformation of Hsp82 in a complex with Sba1; the state is complex-dependent, so confidence is medium.", "rule": "curator_assignment", "state_id": "Hsp90-closed", "who": "curator:draft (unreviewed)" } ], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.1 }, "provenance": { "deposit_id": "2CG9", "doi": "10.1038/NATURE04716", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2CG9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of an Hsp90-Sba1 closed chaperone 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": 7.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A,B,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2CGE", "evidence_id": "EV-PDB-2CGE-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.0 }, "provenance": { "deposit_id": "2CGE", "doi": "10.1038/NATURE04716", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2CGE" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of an Hsp90-Sba1 closed chaperone complex" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL", "RDA" ], "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": "ATP-dependent molecular chaperone HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2FXS", "evidence_id": "EV-PDB-2FXS-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "2FXS", "doi": "10.1016/j.jmb.2009.03.071", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2FXS" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Yeast HSP82 in complex with the novel HSP90 Inhibitor Radamide" }, { "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": 7.2, "salt_mM": null, "temperature_c": 14.85 }, "construct": { "description": "ATP-dependent molecular chaperone HSP82 (chains B)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2LSV", "evidence_id": "EV-PDB-2LSV-2", "mappings": [], "molecule_id": "P02829", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2LSV", "doi": "10.1016/j.str.2013.07.024", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2LSV" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "The NMR high resolution structure of yeast Tah1 in complex with the Hsp90 C-terminal tail" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "BC6", "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": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A,B,C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2VW5", "evidence_id": "EV-PDB-2VW5-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "2VW5", "doi": "10.1021/JM8006068", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2VW5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure Of The Hsp90 Inhibitor 7-O-carbamoylpremacbecin Bound To The N- Terminus Of Yeast Hsp90" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "BC2", "GOL" ], "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": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2VWC", "evidence_id": "EV-PDB-2VWC-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.4 }, "provenance": { "deposit_id": "2VWC", "doi": "10.1021/JM701558C", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2VWC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "STRUCTURE OF THE HSP90 INHIBITOR MACBECIN BOUND TO THE N-TERMINUS OF YEAST HSP90." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GDM", "GOL" ], "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": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2WEQ", "evidence_id": "EV-PDB-2WEQ-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "2WEQ", "doi": "10.1021/CB9000316", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2WEQ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Yeast Hsp90 N-terminal domain LI-IV mutant with Geldanamycin" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "13I" ], "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": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2XX4", "evidence_id": "EV-PDB-2XX4-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.199 }, "provenance": { "deposit_id": "2XX4", "doi": "10.1021/CB200196E", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2XX4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Macrolactone Inhibitor bound to HSP90 N-term" }, { "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": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YGA", "evidence_id": "EV-PDB-2YGA-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.37 }, "provenance": { "deposit_id": "2YGA", "doi": "10.1096/FJ.11-188821", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YGA" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "E88G-N92L Mutant of N-Term HSP90 complexed with Geldanamycin" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GDM", "GOL" ], "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": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YGE", "evidence_id": "EV-PDB-2YGE-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.956 }, "provenance": { "deposit_id": "2YGE", "doi": "10.1096/FJ.11-188821", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YGE" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "E88G-N92L Mutant of N-Term HSP90 complexed with Geldanamycin" }, { "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": 5.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "ATP-dependent molecular chaperone HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3C0E", "evidence_id": "EV-PDB-3C0E-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "3C0E", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3C0E" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Yeast Hsp82 N-terminal domain: effects of mutants 98-99 KS-AA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GDM", "GOL" ], "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": "ATP-dependent molecular chaperone HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3C11", "evidence_id": "EV-PDB-3C11-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "3C11", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3C11" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Yeast Hsp82 N-terminal domain-Geldanamycin complex: effects of mutants 98-99 KS-AA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "4QS" ], "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": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4AS9", "evidence_id": "EV-PDB-4AS9-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.71 }, "provenance": { "deposit_id": "4AS9", "doi": "10.1038/nchem.1596", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4AS9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "59C", "CL" ], "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": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4ASA", "evidence_id": "EV-PDB-4ASA-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.25 }, "provenance": { "deposit_id": "4ASA", "doi": "10.1038/NCHEM.1596", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4ASA" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "8TO" ], "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": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4ASB", "evidence_id": "EV-PDB-4ASB-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.08 }, "provenance": { "deposit_id": "4ASB", "doi": "10.1038/nchem.1596", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4ASB" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "814", "NI" ], "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": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4ASG", "evidence_id": "EV-PDB-4ASG-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "4ASG", "doi": "10.1038/NCHEM.1596", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4ASG" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "L4V" ], "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": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4CE3", "evidence_id": "EV-PDB-4CE3-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.31 }, "provenance": { "deposit_id": "4CE3", "doi": "10.1039/C3OB42211A", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4CE3" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90 N-terminal domain bound to macrolactam analogues of radicicol." }, { "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": "yeast HSP90 C-terminus (chains A,B,C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5MGX", "evidence_id": "EV-PDB-5MGX-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.18 }, "provenance": { "deposit_id": "5MGX", "doi": "10.1371/journal.pone.0173543", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5MGX" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "The structure of FKBP38 in complex with the MEEVD tetratricopeptide binding-motif of Hsp90" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "W5R" ], "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": "ATP-dependent molecular chaperone HSP82 (chains A,B,C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8OXU", "evidence_id": "EV-PDB-8OXU-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.94 }, "provenance": { "deposit_id": "8OXU", "doi": "10.3390/biom13071051", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8OXU" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of the Hsp90-LA1011 Complex" }, { "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": null }, "construct": { "description": "ATP-dependent molecular chaperone HSP82 (chains A,B)", "labels": [] }, "data_format": "mmCIF/IHM", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9AAO", "evidence_id": "EV-PDB-9AAO-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "9AAO", "doi": "10.1038/nmeth.4081", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9AAO" }, "reader": null, "source_kind": "deposit", "technique": "integrative", "title": "Yeast Hsp90 open structural ensemble" }, { "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": -80.15 }, "construct": { "description": "ATP-dependent molecular chaperone HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9Q8O", "evidence_id": "EV-PDB-9Q8O-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "9Q8O", "doi": "10.1016/j.molcel.2025.12.002", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9Q8O" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of Hsp82-MD in complex with the CS domain of Sgt1" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "BO5" ], "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": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4CE2", "evidence_id": "EV-PDB-4CE2-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.38 }, "provenance": { "deposit_id": "4CE2", "doi": "10.1039/c3ob42211a", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4CE2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90 N-terminal domain bound to macrolactam analogues of radicicol." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "7FK" ], "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": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4CE1", "evidence_id": "EV-PDB-4CE1-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.01 }, "provenance": { "deposit_id": "4CE1", "doi": "10.1039/C3OB42211A", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4CE1" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90 N-terminal domain bound to macrolactam analogues of radicicol." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "62U", "NI" ], "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": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4ASF", "evidence_id": "EV-PDB-4ASF-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.6 }, "provenance": { "deposit_id": "4ASF", "doi": "10.1038/nchem.1596", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4ASF" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CL", "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": -73.15 }, "construct": { "description": "ATP-dependent molecular chaperone HSP82 (chains Q)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3FP2", "evidence_id": "EV-PDB-3FP2-2", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.98 }, "provenance": { "deposit_id": "3FP2", "doi": "10.1074/jbc.M109.023986", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3FP2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of Tom71 complexed with Hsp82 C-terminal fragment" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GDM", "GOL" ], "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": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2YGF", "evidence_id": "EV-PDB-2YGF-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "2YGF", "doi": "10.1096/FJ.11-188821", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2YGF" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "L89V, L93I and V136M Mutant of N-Term HSP90 complexed with Geldanamycin" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "13N", "GOL" ], "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": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2XX5", "evidence_id": "EV-PDB-2XX5-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "2XX5", "doi": "10.1021/CB200196E", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2XX5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Macrolactone Inhibitor bound to HSP90 N-term" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "13C", "GOL" ], "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": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A,B,C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2XX2", "evidence_id": "EV-PDB-2XX2-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.85 }, "provenance": { "deposit_id": "2XX2", "doi": "10.1021/CB200196E", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2XX2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Macrolactone Inhibitor bound to HSP90 N-term" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL", "XD6" ], "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": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2XD6", "evidence_id": "EV-PDB-2XD6-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "2XD6", "doi": "10.1002/CHEM.201001119", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2XD6" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hsp90 complexed with a resorcylic acid macrolactone." }, { "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": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2WER", "evidence_id": "EV-PDB-2WER-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "2WER", "doi": "10.1021/CB9000316", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2WER" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Yeast Hsp90 N-terminal domain LI-IV mutant with Radicicol" }, { "conditions": { "applied_force_pn": 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": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2WEP", "evidence_id": "EV-PDB-2WEP-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "2WEP", "doi": "10.1021/CB9000316", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2WEP" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Yeast Hsp90 N-terminal domain LI-IV mutant with ADP" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "M1S" ], "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": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2IWX", "evidence_id": "EV-PDB-2IWX-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5 }, "provenance": { "deposit_id": "2IWX", "doi": "10.1016/J.CHEMBIOL.2006.09.015", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2IWX" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Analogues of radicicol bound to the ATP-binding site of Hsp90." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "NP5" ], "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": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2IWU", "evidence_id": "EV-PDB-2IWU-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.8 }, "provenance": { "deposit_id": "2IWU", "doi": "10.1016/J.CHEMBIOL.2006.09.015", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2IWU" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Analogues of radicicol bound to the ATP-binding site of Hsp90" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "NP4" ], "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": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2IWS", "evidence_id": "EV-PDB-2IWS-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.7 }, "provenance": { "deposit_id": "2IWS", "doi": "10.1016/J.CHEMBIOL.2006.09.015", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2IWS" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Radicicol analogues bound to the ATP site of HSP90" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "P2N" ], "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": "ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2CGF", "evidence_id": "EV-PDB-2CGF-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "2CGF", "doi": "10.1016/J.CHEMBIOL.2006.09.015", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2CGF" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "A RADICICOL ANALOGUE BOUND TO THE ATP BINDING SITE OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL" ], "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 HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1USU", "evidence_id": "EV-PDB-1USU-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.15 }, "provenance": { "deposit_id": "1USU", "doi": "10.1038/SJ.EMBOJ.7600141", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1USU" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "The Structure of the complex between Aha1 and HSP90" }, { "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": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN HSP82 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1US7", "evidence_id": "EV-PDB-1US7-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "1US7", "doi": "10.1016/S0092-8674(03)01027-4", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1US7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Complex of Hsp90 and P50" }, { "conditions": { "applied_force_pn": 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": 5.0, "salt_mM": null, "temperature_c": -163.15 }, "construct": { "description": "HEAT SHOCK PROTEIN 90 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1AM1", "evidence_id": "EV-PDB-1AM1-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "1AM1", "doi": "10.1016/S0092-8674(00)80314-1", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1AM1" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "ATP BINDING SITE IN THE HSP90 MOLECULAR CHAPERONE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL" ], "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 90 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1AH8", "evidence_id": "EV-PDB-1AH8-1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "1AH8", "doi": "10.1038/nsb0697-477", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1AH8" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "STRUCTURE OF THE ORTHORHOMBIC FORM OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 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": 5.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "HEAT SHOCK PROTEIN 90 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1AH6", "evidence_id": "EV-PDB-1AH6-1", "mappings": [ { "confidence": "high", "justification": "N-terminal domain only, ligand-free; representative for the NTD apo state.", "rule": "curator_assignment", "state_id": "Hsp90-NTD-apo", "who": "curator:draft (unreviewed)" } ], "molecule_id": "P02829", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "1AH6", "doi": "10.1038/nsb0697-477", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1AH6" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "STRUCTURE OF THE TETRAGONAL FORM OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE" }, { "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=16279", "evidence_id": "EV-BMRB-16279", "mappings": [], "molecule_id": "P02829", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr16279", "doi": "10.13018/BMR16279", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=16279" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Backbone 1H, 13C, and 15N Chemical Shift Assignments for the yeast Hsp90 Middle Domain" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": null, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "BMRB data: 1H chemical shifts, 13C chemical shifts, 15N chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=5355", "evidence_id": "EV-BMRB-5355", "mappings": [], "molecule_id": "P02829", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr5355", "doi": "10.13018/BMR5355", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=5355" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Backbone resonance assignments of the 25kD N-terminal ATPase domain from the Hsp90 chaperone" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "DisProt annotations do not record sample conditions.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "residues 678-709; evidence: X-ray crystallography-based structural model with missing residue coordinates used in manual assertion", "labels": [] }, "data_format": null, "data_level": "reported", "data_link": "https://europepmc.org/article/MED/16625188", "evidence_id": "EV-DISPROT-DP04448r002", "mappings": [], "molecule_id": "P02829", "observable": { "type": "disorder_region", "uncertainty": null, "unit": "residues", "value": 32 }, "provenance": { "deposit_id": "DP04448r002", "doi": null, "licence": "CC BY 4.0", "retrieved": "2026-10-19", "source": "DisProt", "url": "https://disprot.org/DP04448" }, "reader": null, "source_kind": "literature", "technique": "xray", "title": "DisProt DP04448: disorder, residues 678-709" }, { "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 1-709", "labels": [] }, "data_format": "mmCIF, PAE JSON", "data_level": "processed", "data_link": "https://alphafold.ebi.ac.uk/entry/P02829", "evidence_id": "EV-AFDB-AF-P02829-F1", "mappings": [], "molecule_id": "P02829", "observable": { "type": "plddt", "uncertainty": null, "unit": "pLDDT", "value": 84.94 }, "provenance": { "deposit_id": "AF-P02829-F1", "doi": null, "licence": "CC BY 4.0", "retrieved": "2026-10-19", "source": "AlphaFold DB", "url": "https://alphafold.ebi.ac.uk/entry/P02829" }, "reader": null, "source_kind": "computed", "technique": "af_prediction", "title": "AlphaFold DB prediction AF-P02829-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 1A4H; Amber Parm99", "labels": [] }, "data_format": "trajectory", "data_level": "processed", "data_link": "https://mmb.mddbr.eu/#/id/A000Y/overview", "evidence_id": "EV-MDDB-A000Y", "mappings": [], "molecule_id": "P02829", "observable": { "type": "trajectory", "uncertainty": null, "unit": "ns", "value": 10.0 }, "provenance": { "deposit_id": "A000Y", "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/A000Y/overview" }, "reader": null, "source_kind": "computed", "technique": "md", "title": "MoDEL 1A4H" }, { "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 1AH6; 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