{ "conflicts": [], "coverage": { "cells": { "CypA-major": { "af_prediction": 0, "cryoem": 8, "md": 0, "microed": 0, "nmr_shifts": 0, "nmr_structure": 6, "xray": 190 }, "CypA-minor": { "af_prediction": 0, "cryoem": 0, "md": 0, "microed": 0, "nmr_shifts": 0, "nmr_structure": 0, "xray": 0 } }, "data_levels": { "CypA-major": { "cryoem": "processed", "nmr_structure": "processed", "xray": "processed" }, "CypA-minor": {} }, "single_method_states": [], "states": [ "CypA-major", "CypA-minor" ], "techniques": [ "xray", "cryoem", "microed", "nmr_structure", "nmr_shifts", "af_prediction", "md" ], "unmapped_evidence": 11 }, "curation": { "as_of": "2026-10-19", "curator": "draft (unreviewed)", "file": "P62937.yaml", "status": "draft" }, "evidence": [ { "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": "CYCLOPHILIN A (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1AK4", "evidence_id": "EV-PDB-1AK4-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.36 }, "provenance": { "deposit_id": "1AK4", "doi": "10.1016/S0092-8674(00)81823-1", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1AK4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HUMAN CYCLOPHILIN A BOUND TO THE AMINO-TERMINAL DOMAIN OF HIV-1 CAPSID" }, { "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": 8.4, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "CYCLOPHILIN A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1AWQ", "evidence_id": "EV-PDB-1AWQ-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.58 }, "provenance": { "deposit_id": "1AWQ", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1AWQ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CYPA COMPLEXED WITH HAGPIA (PSEUDO-SYMMETRIC MONOMER)" }, { "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": 8.4, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "CYCLOPHILIN A (chains A,B,C,D,E,F)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1AWR", "evidence_id": "EV-PDB-1AWR-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.58 }, "provenance": { "deposit_id": "1AWR", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1AWR" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CYPA COMPLEXED WITH HAGPIA" }, { "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": 8.4, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "CYCLOPHILIN A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1AWS", "evidence_id": "EV-PDB-1AWS-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.55 }, "provenance": { "deposit_id": "1AWS", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1AWS" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "SECYPA COMPLEXED WITH HAGPIA (PSEUDO-SYMMETRIC MONOMER)" }, { "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": 8.4, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "CYCLOPHILIN A (chains A,B,C,D,E,F)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1AWT", "evidence_id": "EV-PDB-1AWT-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.55 }, "provenance": { "deposit_id": "1AWT", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1AWT" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "SECYPA COMPLEXED WITH HAGPIA" }, { "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": 8.4, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "CYCLOPHILIN A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1AWU", "evidence_id": "EV-PDB-1AWU-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.34 }, "provenance": { "deposit_id": "1AWU", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1AWU" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CYPA COMPLEXED WITH HVGPIA (PSEUDO-SYMMETRIC MONOMER)" }, { "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": 8.4, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "CYCLOPHILIN A (chains A,B,C,D,E,F)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1AWV", "evidence_id": "EV-PDB-1AWV-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.34 }, "provenance": { "deposit_id": "1AWV", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1AWV" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CYPA COMPLEXED WITH HVGPIA" }, { "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": 8.0, "salt_mM": null, "temperature_c": 19.85 }, "construct": { "description": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BCK", "evidence_id": "EV-PDB-1BCK-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "1BCK", "doi": "10.1006/JMBI.1998.2108", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BCK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HUMAN CYCLOPHILIN A COMPLEXED WITH 2-THR CYCLOSPORIN" }, { "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": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1CWA", "evidence_id": "EV-PDB-1CWA-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "1CWA", "doi": "10.1006/JMBI.1993.1664", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1CWA" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "X-RAY STRUCTURE OF A MONOMERIC CYCLOPHILIN A-CYCLOSPORIN A CRYSTAL COMPLEX AT 2.1 ANGSTROMS RESOLUTION" }, { "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": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1CWB", "evidence_id": "EV-PDB-1CWB-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "1CWB", "doi": "10.1093/PROTEIN/7.5.597", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1CWB" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "THE X-RAY STRUCTURE OF (MEBM2T)1-CYCLOSPORIN COMPLEXED WITH CYCLOPHILIN A PROVIDES AN EXPLANATION FOR ITS ANOMALOUSLY HIGH IMMUNOSUPPRESSIVE ACTIVITY" }, { "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": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1CWC", "evidence_id": "EV-PDB-1CWC-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.86 }, "provenance": { "deposit_id": "1CWC", "doi": "10.1021/JM00048A002", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1CWC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "IMPROVED BINDING AFFINITY FOR CYCLOPHILIN A BY A CYCLOSPORIN DERIVATIVE SINGLY MODIFIED AT ITS EFFECTOR 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": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1CWF", "evidence_id": "EV-PDB-1CWF-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.86 }, "provenance": { "deposit_id": "1CWF", "doi": "10.1006/JMBI.1998.2108", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1CWF" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL CYCLOSPORIN" }, { "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": 8.0, "salt_mM": null, "temperature_c": 19.85 }, "construct": { "description": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1CWH", "evidence_id": "EV-PDB-1CWH-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.86 }, "provenance": { "deposit_id": "1CWH", "doi": "10.1006/JMBI.1998.2108", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1CWH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HUMAN CYCLOPHILIN A COMPLEXED WITH 3-D-SER CYCLOSPORIN" }, { "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": 8.0, "salt_mM": null, "temperature_c": 19.85 }, "construct": { "description": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1CWJ", "evidence_id": "EV-PDB-1CWJ-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "1CWJ", "doi": "10.1006/JMBI.1998.2108", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1CWJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL 3-S-METHYL-SARCOSINE CYCLOSPORIN" }, { "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": 8.0, "salt_mM": null, "temperature_c": 19.85 }, "construct": { "description": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1CWK", "evidence_id": "EV-PDB-1CWK-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "1CWK", "doi": "10.1006/JMBI.1998.2108", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1CWK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HUMAN CYCLOPHILIN A COMPLEXED WITH 1-(6,7-DIHYDRO)MEBMT 2-VAL 3-D-(2-S-METHYL)SARCOSINE CYCLOSPORIN" }, { "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": 8.0, "salt_mM": null, "temperature_c": 19.85 }, "construct": { "description": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1CWL", "evidence_id": "EV-PDB-1CWL-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "1CWL", "doi": "10.1006/JMBI.1998.2108", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1CWL" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HUMAN CYCLOPHILIN A COMPLEXED WITH 4 4-HYDROXY-MELEU CYCLOSPORIN" }, { "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": 8.0, "salt_mM": null, "temperature_c": 19.85 }, "construct": { "description": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1CWM", "evidence_id": "EV-PDB-1CWM-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "1CWM", "doi": "10.1006/JMBI.1998.2108", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1CWM" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HUMAN CYCLOPHILIN A COMPLEXED WITH 4 MEILE CYCLOSPORIN" }, { "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": 8.2, "salt_mM": null, "temperature_c": 19.85 }, "construct": { "description": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1CWO", "evidence_id": "EV-PDB-1CWO-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.86 }, "provenance": { "deposit_id": "1CWO", "doi": "10.1006/JMBI.1998.2109", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1CWO" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HUMAN CYCLOPHILIN A COMPLEXED WITH THR2, LEU5, D-HIV8, LEU10 CYCLOSPORIN" }, { "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": "CYCLOPHILIN A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1FGL", "evidence_id": "EV-PDB-1FGL-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "1FGL", "doi": "10.1016/S0969-2126(97)00172-X", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1FGL" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Cyclophilin A complexed with a fragment of HIV-1 GAG protein" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "FE", "ZN" ], "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": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A (chains C,G)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1M63", "evidence_id": "EV-PDB-1M63-3", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.8 }, "provenance": { "deposit_id": "1M63", "doi": "10.1073/PNAS.192206699", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1M63" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of calcineurin-cyclophilin-cyclosporin shows common but distinct recognition of immunophilin-drug complexes" }, { "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": 8.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Cyclophilin A (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1M9C", "evidence_id": "EV-PDB-1M9C-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "1M9C", "doi": "10.1038/nsb927", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1M9C" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "X-ray crystal structure of Cyclophilin A/HIV-1 CA N-terminal domain (1-146) M-type 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": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Cyclophilin A (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1M9D", "evidence_id": "EV-PDB-1M9D-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "1M9D", "doi": "10.1038/nsb927", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1M9D" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "X-ray crystal structure of Cyclophilin A/HIV-1 CA N-terminal domain (1-146) O-type chimera 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": 8.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Cyclophilin A (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1M9E", "evidence_id": "EV-PDB-1M9E-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.72 }, "provenance": { "deposit_id": "1M9E", "doi": "10.1038/nsb927", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1M9E" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "X-ray crystal structure of Cyclophilin A/HIV-1 CA N-terminal domain (1-146) M-type H87A 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": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Cyclophilin A (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1M9F", "evidence_id": "EV-PDB-1M9F-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.73 }, "provenance": { "deposit_id": "1M9F", "doi": "10.1038/nsb927", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1M9F" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "X-ray crystal structure of Cyclophilin A/HIV-1 CA N-terminal domain (1-146) M-type H87A,A88M 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": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Cyclophilin A (chains A,B,E,F)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1M9X", "evidence_id": "EV-PDB-1M9X-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "1M9X", "doi": "10.1038/nsb927", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1M9X" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "X-ray crystal structure of Cyclophilin A/HIV-1 CA N-terminal domain (1-146) M-type H87A,A88M,G89A 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": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Cyclophilin A (chains A,B,E,F)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1M9Y", "evidence_id": "EV-PDB-1M9Y-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "1M9Y", "doi": "10.1038/nsb927", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1M9Y" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "X-ray crystal structure of Cyclophilin A/HIV-1 CA N-terminal domain (1-146) M-type H87A,G89A Complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "PO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.6, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A (chains C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1MF8", "evidence_id": "EV-PDB-1MF8-3", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.1 }, "provenance": { "deposit_id": "1MF8", "doi": "10.1073/PNAS.212504399", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1MF8" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of human calcineurin complexed with cyclosporin A and human cyclophilin" }, { "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": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1MIK", "evidence_id": "EV-PDB-1MIK-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.76 }, "provenance": { "deposit_id": "1MIK", "doi": "10.1021/JM00017A020", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1MIK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "THE ROLE OF WATER MOLECULES IN THE STRUCTURE-BASED DESIGN OF (5-HYDROXYNORVALINE)-2-CYCLOSPORIN: SYNTHESIS, BIOLOGICAL ACTIVITY, AND CRYSTALLOGRAPHIC ANALYSIS WITH CYCLOPHILIN A" }, { "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": 25.85 }, "construct": { "description": "CYCLOPHILIN A (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1OCA", "evidence_id": "EV-PDB-1OCA-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1OCA", "doi": "10.1006/jmbi.1997.1220", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1OCA" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "HUMAN CYCLOPHILIN A, UNLIGATED, NMR, 20 STRUCTURES" }, { "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": "CYCLOPHILIN A (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1RMH", "evidence_id": "EV-PDB-1RMH-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.4 }, "provenance": { "deposit_id": "1RMH", "doi": "10.1021/bi9602775", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1RMH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "RECOMBINANT CYCLOPHILIN A FROM HUMAN T CELL" }, { "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": 8.2, "salt_mM": null, "temperature_c": -99.15 }, "construct": { "description": "CYCLOPHILIN A (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1VBT", "evidence_id": "EV-PDB-1VBT-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "1VBT", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1VBT" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of cyclophilin complexed with sulfur-substituted tetrapeptide AAPF" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "1P3" ], "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": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1W8L", "evidence_id": "EV-PDB-1W8L-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "1W8L", "doi": "10.1107/S0907444904000174", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1W8L" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Enzymatic and structural characterization of non peptide ligand cyclophilin complexes" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "E1P" ], "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": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1W8M", "evidence_id": "EV-PDB-1W8M-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.65 }, "provenance": { "deposit_id": "1W8M", "doi": "10.1107/S0907444904000174", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1W8M" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Enzymatic and Structural Characterisation of Non Peptide Ligand Cyclophilin Complexes" }, { "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": 8.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1W8V", "evidence_id": "EV-PDB-1W8V-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "1W8V", "doi": "10.1107/S0907444904000174", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1W8V" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Enzymatic and structural characterization of non peptide ligand cyclophilin complexes" }, { "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": 8.2, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1ZKF", "evidence_id": "EV-PDB-1ZKF-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.55 }, "provenance": { "deposit_id": "1ZKF", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1ZKF" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Cyrstal Structure of Human Cyclophilin-A in Complex with suc-AGPF-pNA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "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": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2ALF", "evidence_id": "EV-PDB-2ALF-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "2ALF", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2ALF" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "crystal structure of human CypA mutant K131A" }, { "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": "CYCLOPHILIN A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2CPL", "evidence_id": "EV-PDB-2CPL-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.63 }, "provenance": { "deposit_id": "2CPL", "doi": "10.1016/0022-2836(92)90841-7", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2CPL" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "SIMILARITIES AND DIFFERENCES BETWEEN HUMAN CYCLOPHILIN A AND OTHER BETA-BARREL STRUCTURES. STRUCTURAL REFINEMENT AT 1.63 ANGSTROMS RESOLUTION" }, { "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": 6.8, "salt_mM": null, "temperature_c": 31.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2MS4", "evidence_id": "EV-PDB-2MS4-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2MS4", "doi": "10.1038/nchembio.1981", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2MS4" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Cyclophilin a complexed with a fragment of crk-ii" }, { "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": 25.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2MZU", "evidence_id": "EV-PDB-2MZU-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2MZU", "doi": "10.1007/s10858-015-9917-8", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2MZU" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Extending the eNOE data set of large proteins by evaluation of NOEs with unresolved diagonals" }, { "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": -247.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2N0T", "evidence_id": "EV-PDB-2N0T-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2N0T", "doi": "10.1002/anie.201503698", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2N0T" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Structural ensemble of the enzyme cyclophilin reveals an orchestrated mode of action at atomic resolution" }, { "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": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE (chains A,C,E,G,I,K,M,O,Q,S)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2RMA", "evidence_id": "EV-PDB-2RMA-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "2RMA", "doi": "10.1016/S0969-2126(00)00006-X", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2RMA" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structures of cyclophilin A complexed with cyclosporin A and N-methyl-4-[(E)-2-butenyl]-4,4-dimethylthreonine cyclosporin A" }, { "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": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE (chains A,C,E,G,I,K,M,O,Q,S)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2RMB", "evidence_id": "EV-PDB-2RMB-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "2RMB", "doi": "10.1016/S0969-2126(00)00006-X", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2RMB" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structures of cyclophilin A complexed with cyclosporin A and N-methyl-4-[(E)-2-butenyl]-4,4-dimethylthreonine cyclosporin A" }, { "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": 13.85 }, "construct": { "description": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A (chains B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2X25", "evidence_id": "EV-PDB-2X25-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.2 }, "provenance": { "deposit_id": "2X25", "doi": "10.1038/NCHEMBIO.342", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2X25" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Free acetyl-CypA orthorhombic form" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL", "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": 13.85 }, "construct": { "description": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2X2A", "evidence_id": "EV-PDB-2X2A-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.4 }, "provenance": { "deposit_id": "2X2A", "doi": "10.1038/NCHEMBIO.342", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2X2A" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Free acetyl-CypA trigonal form" }, { "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": 13.85 }, "construct": { "description": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A (chains K,M,O,Q,S)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2X2C", "evidence_id": "EV-PDB-2X2C-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.41 }, "provenance": { "deposit_id": "2X2C", "doi": "10.1038/NCHEMBIO.342", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2X2C" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "acetyl-CypA:cyclosporine complex" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ALA", "PRO" ], "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": "CYCLOPHILIN A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2CYH", "evidence_id": "EV-PDB-2CYH-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.64 }, "provenance": { "deposit_id": "2CYH", "doi": "10.1021/bi960278x", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2CYH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CYCLOPHILIN A COMPLEXED WITH DIPEPTIDE ALA-PRO" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SFA" ], "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": 19.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1YND", "evidence_id": "EV-PDB-1YND-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "1YND", "doi": "10.1074/jbc.M501623200", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1YND" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of human cyclophilin A in complex with the novel immunosuppressant sanglifehrin A at 1.6A resolution" }, { "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": 8.2, "salt_mM": null, "temperature_c": -99.15 }, "construct": { "description": "CYCLOPHILIN A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1VBS", "evidence_id": "EV-PDB-1VBS-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "1VBS", "doi": "10.1016/S0014-5793(98)00871-0", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1VBS" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "STRUCTURE OF CYCLOPHILIN COMPLEXED WITH (D)ALA CONTAINING TETRAPEPTIDE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SFM" ], "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": 19.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1NMK", "evidence_id": "EV-PDB-1NMK-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "1NMK", "doi": "10.1021/ja021327y", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1NMK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "The Sanglifehrin-Cyclophilin Interaction: Degradation Work, Synthetic Macrocyclic Analogues, X-ray Crystal Structure and Binding Data" }, { "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": 8.0, "salt_mM": null, "temperature_c": 19.85 }, "construct": { "description": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1CWI", "evidence_id": "EV-PDB-1CWI-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "1CWI", "doi": "10.1006/JMBI.1998.2108", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1CWI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL 3-(N-METHYL)-D-ALANINE CYCLOSPORIN" }, { "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": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A (chains B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2X2D", "evidence_id": "EV-PDB-2X2D-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.95 }, "provenance": { "deposit_id": "2X2D", "doi": "10.1038/NCHEMBIO.342", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2X2D" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "acetyl-CypA:HIV-1 N-term capsid domain complex" }, { "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": 7.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A (chains B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2XGY", "evidence_id": "EV-PDB-2XGY-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "2XGY", "doi": "10.1016/J.CHOM.2010.08.006", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2XGY" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Complex of Rabbit Endogenous Lentivirus (RELIK)Capsid with Cyclophilin A" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AOL", "GNP", "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/36OI", "evidence_id": "EV-PDB-36OI-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.47 }, "provenance": { "deposit_id": "36OI", "doi": "10.1158/2159-8290.CD-25-0886", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/36OI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tri-complex of Compound 1, KRAS G13C, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1DKX", "CL", "GNP", "MG", "PEG" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/36OJ", "evidence_id": "EV-PDB-36OJ-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.74 }, "provenance": { "deposit_id": "36OJ", "doi": "10.1158/2159-8290.CD-25-0886", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/36OJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tri-complex of Compound 2, KRAS G13C, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1DKY", "CL", "GNP", "MG", "PEG" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/36OK", "evidence_id": "EV-PDB-36OK-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.21 }, "provenance": { "deposit_id": "36OK", "doi": "10.1158/2159-8290.CD-25-0886", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/36OK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tri-complex of RMC-8839, KRAS G13C, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PRO", "SER" ], "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": "CYCLOPHILIN A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3CYH", "evidence_id": "EV-PDB-3CYH-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "3CYH", "doi": "10.1021/bi960278x", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3CYH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CYCLOPHILIN A COMPLEXED WITH DIPEPTIDE SER-PRO" }, { "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": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3CYS", "evidence_id": "EV-PDB-3CYS-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "3CYS", "doi": "10.1007/BF00156614", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3CYS" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "DETERMINATION OF THE NMR SOLUTION STRUCTURE OF THE CYCLOPHILIN A-CYCLOSPORIN A 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": "Cyclophilin A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3K0M", "evidence_id": "EV-PDB-3K0M-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.25 }, "provenance": { "deposit_id": "3K0M", "doi": "10.1038/nature08615", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3K0M" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Cryogenic structure of CypA" }, { "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": 14.85 }, "construct": { "description": "Cyclophilin A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3K0N", "evidence_id": "EV-PDB-3K0N-1", "mappings": [ { "confidence": "high", "justification": "Room-temperature structure of CypA.", "rule": "curator_assignment", "state_id": "CypA-major", "who": "curator:draft (unreviewed)" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.391 }, "provenance": { "deposit_id": "3K0N", "doi": "10.1038/nature08615", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3K0N" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Room temperature structure of CypA" }, { "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": 14.85 }, "construct": { "description": "Cyclophilin A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3K0O", "evidence_id": "EV-PDB-3K0O-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.55 }, "provenance": { "deposit_id": "3K0O", "doi": "10.1038/nature08615", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3K0O" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Room temperature structure of CypA mutant Ser99Thr" }, { "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": "Cyclophilin A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3K0P", "evidence_id": "EV-PDB-3K0P-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.649 }, "provenance": { "deposit_id": "3K0P", "doi": "10.1038/nature08615", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3K0P" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Cryogenic structure of CypA mutant Ser99Thr" }, { "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": "Cyclophilin A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3K0Q", "evidence_id": "EV-PDB-3K0Q-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.317 }, "provenance": { "deposit_id": "3K0Q", "doi": "10.1038/nature08615", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3K0Q" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Cryogenic structure of CypA mutant Ser99Thr (2)" }, { "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": "Cyclophilin A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3K0R", "evidence_id": "EV-PDB-3K0R-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.424 }, "provenance": { "deposit_id": "3K0R", "doi": "10.1038/nature08615", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3K0R" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Cryogenic structure of CypA mutant Arg55Lys" }, { "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": "Cyclophilin A (chains A,C,E,G,I,K,M,O,Q,S)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3ODI", "evidence_id": "EV-PDB-3ODI-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "3ODI", "doi": "10.1107/S0907444910051905", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3ODI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of cyclophilin A in complex with Voclosporin E-ISA247" }, { "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": "Cyclophilin A (chains A,C,E,G,I,K,M,O,Q,S)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3ODL", "evidence_id": "EV-PDB-3ODL-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.31 }, "provenance": { "deposit_id": "3ODL", "doi": "10.1107/S0907444910051905", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3ODL" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of cyclophilin A in complex with Voclosporin Z-ISA247" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "EA4" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3RDD", "evidence_id": "EV-PDB-3RDD-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.14 }, "provenance": { "deposit_id": "3RDD", "doi": "10.1038/ncomms12777", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3RDD" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Cyclophilin A Complexed with an Inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "HIS", "PRO" ], "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": "CYCLOPHILIN A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4CYH", "evidence_id": "EV-PDB-4CYH-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "4CYH", "doi": "10.1021/bi960278x", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4CYH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CYCLOPHILIN A COMPLEXED WITH DIPEPTIDE HIS-PRO" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4IPZ", "evidence_id": "EV-PDB-4IPZ-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.67 }, "provenance": { "deposit_id": "4IPZ", "doi": "10.1038/nature12769", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4IPZ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "SmBz bound to Cyclophilin A" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "UNU" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4N1N", "evidence_id": "EV-PDB-4N1N-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5 }, "provenance": { "deposit_id": "4N1N", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4N1N" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of Cyclophilin A in complex with Benzamide." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "LSA" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4N1O", "evidence_id": "EV-PDB-4N1O-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.75 }, "provenance": { "deposit_id": "4N1O", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4N1O" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of Cyclophilin A in complex with Saccharin." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "WM2" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4N1Q", "evidence_id": "EV-PDB-4N1Q-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.65 }, "provenance": { "deposit_id": "4N1Q", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4N1Q" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of Cyclophilin A in complex with cyclohexanecarboxamide." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "WM4" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4N1S", "evidence_id": "EV-PDB-4N1S-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.47 }, "provenance": { "deposit_id": "4N1S", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4N1S" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of Cyclophilin A in complex with benzohydrazide." }, { "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4YUG", "evidence_id": "EV-PDB-4YUG-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.48 }, "provenance": { "deposit_id": "4YUG", "doi": "10.7554/eLife.07574", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4YUG" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Multiconformer synchrotron model of CypA at 100 K" }, { "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": -123.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4YUH", "evidence_id": "EV-PDB-4YUH-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.34 }, "provenance": { "deposit_id": "4YUH", "doi": "10.7554/eLife.07574", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4YUH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Multiconformer synchrotron model of CypA at 150 K" }, { "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": -33.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4YUJ", "evidence_id": "EV-PDB-4YUJ-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.42 }, "provenance": { "deposit_id": "4YUJ", "doi": "10.7554/eLife.07574", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4YUJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Multiconformer synchrotron model of CypA at 240 K" }, { "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": -13.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4YUK", "evidence_id": "EV-PDB-4YUK-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.48 }, "provenance": { "deposit_id": "4YUK", "doi": "10.7554/eLife.07574", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4YUK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Multiconformer synchrotron model of CypA at 260 K" }, { "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": 6.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4YUL", "evidence_id": "EV-PDB-4YUL-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.42 }, "provenance": { "deposit_id": "4YUL", "doi": "10.7554/eLife.07574", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4YUL" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Multiconformer synchrotron model of CypA at 280 K" }, { "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": -0.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4YUO", "evidence_id": "EV-PDB-4YUO-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.2 }, "provenance": { "deposit_id": "4YUO", "doi": "10.7554/eLife.07574", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4YUO" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "High-resolution multiconformer synchrotron model of CypA at 273 K" }, { "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": -0.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4YUP", "evidence_id": "EV-PDB-4YUP-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.75 }, "provenance": { "deposit_id": "4YUP", "doi": "10.7554/eLife.07574", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4YUP" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Multiconformer fixed-target X-ray free electron (XFEL) model of CypA at 273 K" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GLY", "PRO" ], "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": "CYCLOPHILIN A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5CYH", "evidence_id": "EV-PDB-5CYH-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "5CYH", "doi": "10.1021/bi960278x", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5CYH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CYCLOPHILIN A COMPLEXED WITH DIPEPTIDE GLY-PRO" }, { "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": -0.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5F66", "evidence_id": "EV-PDB-5F66-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.15 }, "provenance": { "deposit_id": "5F66", "doi": "10.1073/pnas.1524048113", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5F66" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "High-resolution isotropic multiconformer synchrotron model of CypA at 273 K" }, { "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5KUL", "evidence_id": "EV-PDB-5KUL-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "5KUL", "doi": "10.1107/S1600577516017343", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5KUL" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human cyclophilin A at 100K, Data set 1" }, { "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5KUN", "evidence_id": "EV-PDB-5KUN-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "5KUN", "doi": "10.1107/S1600577516017343", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5KUN" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human cyclophilin A at 100K, Data set 2" }, { "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5KUO", "evidence_id": "EV-PDB-5KUO-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "5KUO", "doi": "10.1107/S1600577516017343", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5KUO" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human cyclophilin A at 100K, Data set 3" }, { "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5KUQ", "evidence_id": "EV-PDB-5KUQ-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "5KUQ", "doi": "10.1107/S1600577516017343", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5KUQ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human cyclophilin A at 100K, Data set 4" }, { "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5KUS", "evidence_id": "EV-PDB-5KUS-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "5KUS", "doi": "10.1107/S1600577516017343", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5KUS" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human cyclophilin A at 100K, Data set 6" }, { "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5KUU", "evidence_id": "EV-PDB-5KUU-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "5KUU", "doi": "10.1107/S1600577516017343", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5KUU" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human cyclophilin A at 100K, Data set 7" }, { "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5KUV", "evidence_id": "EV-PDB-5KUV-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "5KUV", "doi": "10.1107/S1600577516017343", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5KUV" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human cyclophilin A at 100K, Data set 8" }, { "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5KUW", "evidence_id": "EV-PDB-5KUW-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "5KUW", "doi": "10.1107/S1600577516017343", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5KUW" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human cyclophilin A at 100K, Data set 9" }, { "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": 4.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5KUZ", "evidence_id": "EV-PDB-5KUZ-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "5KUZ", "doi": "10.1107/S1600577516017343", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5KUZ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human cyclophilin A at 278K, Data set 1" }, { "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": 4.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5KV0", "evidence_id": "EV-PDB-5KV0-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "5KV0", "doi": "10.1107/S1600577516017343", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5KV0" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human cyclophilin A at 278K, Data set 2" }, { "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": 4.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5KV1", "evidence_id": "EV-PDB-5KV1-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "5KV1", "doi": "10.1107/S1600577516017343", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5KV1" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human cyclophilin A at 278K, Data set 3" }, { "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5KUR", "evidence_id": "EV-PDB-5KUR-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "5KUR", "doi": "10.1107/S1600577516017343", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5KUR" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human cyclophilin A at 100K, Data set 5" }, { "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": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A (chains C)", "labels": [] }, "data_format": "mmCIF + EMDB map", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5FJB", "evidence_id": "EV-PDB-5FJB-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 9.0 }, "provenance": { "deposit_id": "5FJB", "doi": "10.1038/NCOMMS10714", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5FJB" }, "reader": null, "source_kind": "deposit", "technique": "cryoem", "title": "Cyclophilin A Stabilize HIV-1 Capsid through a Novel Non- canonical Binding Site" }, { "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": 36.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4YUN", "evidence_id": "EV-PDB-4YUN-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.58 }, "provenance": { "deposit_id": "4YUN", "doi": "10.7554/eLife.07574", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4YUN" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Multiconformer synchrotron model of CypA at 310 K" }, { "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": 26.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4YUM", "evidence_id": "EV-PDB-4YUM-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5 }, "provenance": { "deposit_id": "4YUM", "doi": "10.7554/eLife.07574", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4YUM" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Multiconformer synchrotron model of CypA at 300 K" }, { "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": -93.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4YUI", "evidence_id": "EV-PDB-4YUI-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.38 }, "provenance": { "deposit_id": "4YUI", "doi": "10.7554/eLife.07574", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4YUI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Multiconformer synchrotron model of CypA at 180 K" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "WM3" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4N1R", "evidence_id": "EV-PDB-4N1R-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "4N1R", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4N1R" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of Cyclophilin A in complex with benzenesulfonohydrazide." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "WM1" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4N1P", "evidence_id": "EV-PDB-4N1P-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "4N1P", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4N1P" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of Cyclophilin A in complex with Picolinamide." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GLY", "PRO" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4N1M", "evidence_id": "EV-PDB-4N1M-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.15 }, "provenance": { "deposit_id": "4N1M", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4N1M" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of Cyclophilin A in complex with GlyPro." }, { "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": 4.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5KV5", "evidence_id": "EV-PDB-5KV5-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "5KV5", "doi": "10.1107/S1600577516017343", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5KV5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human cyclophilin A at 278K, Data set 7" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "76X" ], "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": "Peptidyl-prolyl cis-trans isomerase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5LUD", "evidence_id": "EV-PDB-5LUD-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.25 }, "provenance": { "deposit_id": "5LUD", "doi": "10.1002/2211-5463.12201", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5LUD" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of Cyclophilin A in complex with 2,3-Diaminopyridine" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "838", "SO4" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5TA4", "evidence_id": "EV-PDB-5TA4-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5 }, "provenance": { "deposit_id": "5TA4", "doi": "10.1021/acs.jmedchem.6b01329", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5TA4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Discovery of a Potent Cyclophilin Inhibitor (Compound 8) based on Structural Simplification of Sanglifehrin A" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "L36" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6GJM", "evidence_id": "EV-PDB-6GJM-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.354 }, "provenance": { "deposit_id": "6GJM", "doi": "10.1039/c8sc03831g", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6GJM" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Cyclophilin A complexed with tri-vector ligand 4." }, { "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": 17.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6U5D", "evidence_id": "EV-PDB-6U5D-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.65 }, "provenance": { "deposit_id": "6U5D", "doi": "10.1107/S205225252000072X", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6U5D" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "RT XFEL structure of CypA solved using LCP injection system" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "UOD" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6X4N", "evidence_id": "EV-PDB-6X4N-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.51 }, "provenance": { "deposit_id": "6X4N", "doi": "10.1021/acs.jcim.0c00132", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6X4N" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 24)" }, { "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": "Peptidyl-prolyl cis-trans isomerase A (chains J)", "labels": [] }, "data_format": "mmCIF + EMDB map", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6Y9Z", "evidence_id": "EV-PDB-6Y9Z-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 4.8 }, "provenance": { "deposit_id": "6Y9Z", "doi": "10.1038/s41594-020-0467-8", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6Y9Z" }, "reader": null, "source_kind": "deposit", "technique": "cryoem", "title": "Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-13,9)" }, { "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": "Peptidyl-prolyl cis-trans isomerase A (chains J)", "labels": [] }, "data_format": "mmCIF + EMDB map", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6Y9Y", "evidence_id": "EV-PDB-6Y9Y-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 6.1 }, "provenance": { "deposit_id": "6Y9Y", "doi": "10.1038/s41594-020-0467-8", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6Y9Y" }, "reader": null, "source_kind": "deposit", "technique": "cryoem", "title": "Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-7,13)" }, { "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": "Peptidyl-prolyl cis-trans isomerase A (chains J)", "labels": [] }, "data_format": "mmCIF + EMDB map", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6Y9X", "evidence_id": "EV-PDB-6Y9X-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 4.4 }, "provenance": { "deposit_id": "6Y9X", "doi": "10.1038/s41594-020-0467-8", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6Y9X" }, "reader": null, "source_kind": "deposit", "technique": "cryoem", "title": "Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-13,7)" }, { "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": "Peptidyl-prolyl cis-trans isomerase A (chains J)", "labels": [] }, "data_format": "mmCIF + EMDB map", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6Y9W", "evidence_id": "EV-PDB-6Y9W-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 4.1 }, "provenance": { "deposit_id": "6Y9W", "doi": "10.1038/s41594-020-0467-8", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6Y9W" }, "reader": null, "source_kind": "deposit", "technique": "cryoem", "title": "Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-13,8)" }, { "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": "Peptidyl-prolyl cis-trans isomerase A (chains J)", "labels": [] }, "data_format": "mmCIF + EMDB map", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6Y9V", "evidence_id": "EV-PDB-6Y9V-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 6.9 }, "provenance": { "deposit_id": "6Y9V", "doi": "10.1038/s41594-020-0467-8", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6Y9V" }, "reader": null, "source_kind": "deposit", "technique": "cryoem", "title": "Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-8,13)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "UOJ" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6X4Q", "evidence_id": "EV-PDB-6X4Q-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "6X4Q", "doi": "10.1021/acs.jcim.0c00132", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6X4Q" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 33)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "UOG" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6X4P", "evidence_id": "EV-PDB-6X4P-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5 }, "provenance": { "deposit_id": "6X4P", "doi": "10.1021/acs.jcim.0c00132", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6X4P" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 28)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "UO7" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6X4O", "evidence_id": "EV-PDB-6X4O-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5 }, "provenance": { "deposit_id": "6X4O", "doi": "10.1021/acs.jcim.0c00132", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6X4O" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone (compound 21)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "UMM" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6X4M", "evidence_id": "EV-PDB-6X4M-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5 }, "provenance": { "deposit_id": "6X4M", "doi": "10.1021/acs.jcim.0c00132", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6X4M" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate (compound 3)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "UMM" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6X3Y", "evidence_id": "EV-PDB-6X3Y-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.4 }, "provenance": { "deposit_id": "6X3Y", "doi": "10.1021/acs.jcim.0c00132", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6X3Y" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ZXX" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6X3R", "evidence_id": "EV-PDB-6X3R-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "6X3R", "doi": "10.1021/acs.jcim.0c00132", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6X3R" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors" }, { "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6U5G", "evidence_id": "EV-PDB-6U5G-1", "mappings": [], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.5 }, "provenance": { "deposit_id": "6U5G", "doi": "10.1107/S205225252000072X", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6U5G" }, "reader": null, "source_kind": "deposit", "technique": "microed", "title": "MicroED structure of a FIB-milled CypA Crystal" }, { "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": 17.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6U5E", "evidence_id": "EV-PDB-6U5E-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.56 }, "provenance": { "deposit_id": "6U5E", "doi": "10.1107/S205225252000072X", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6U5E" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "RT XFEL structure of CypA solved using celloluse carrier media" }, { "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": 17.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6U5C", "evidence_id": "EV-PDB-6U5C-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.62 }, "provenance": { "deposit_id": "6U5C", "doi": "10.1107/S205225252000072X", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6U5C" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "RT XFEL structure of CypA solved using MESH injection system" }, { "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6I42", "evidence_id": "EV-PDB-6I42-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.38 }, "provenance": { "deposit_id": "6I42", "doi": "10.1002/anie.201914878", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6I42" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of the alpha-Synuclein PreNAC/Cyclophilin A-complex" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "DMS", "EA4" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6GS6", "evidence_id": "EV-PDB-6GS6-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.16 }, "provenance": { "deposit_id": "6GS6", "doi": "10.1039/C9SC04696H", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6GS6" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Cyclophilin A single mutant D66A in complex with an inhibitor." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "F1Z" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6GJY", "evidence_id": "EV-PDB-6GJY-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.29 }, "provenance": { "deposit_id": "6GJY", "doi": "10.1039/c8sc03831g", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6GJY" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Cyclophilin A complexed with tri-vector ligand 5." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "F0W" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6GJR", "evidence_id": "EV-PDB-6GJR-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.69 }, "provenance": { "deposit_id": "6GJR", "doi": "10.1039/c8sc03831g", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6GJR" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Cyclophilin A complexed with tri-vector ligand 9." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "F0T" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6GJP", "evidence_id": "EV-PDB-6GJP-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.94 }, "provenance": { "deposit_id": "6GJP", "doi": "10.1039/c8sc03831g", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6GJP" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Cyclophilin A complexed with tri-vector ligand 7." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "F0Q", "FMT", "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6GJN", "evidence_id": "EV-PDB-6GJN-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "6GJN", "doi": "10.1039/c8sc03831g", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6GJN" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Cyclophilin A complexed with tri-vector ligand 15." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "F1Q" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6GJL", "evidence_id": "EV-PDB-6GJL-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.16 }, "provenance": { "deposit_id": "6GJL", "doi": "10.1039/c8sc03831g", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6GJL" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Cyclophilin A complexed with tri-vector ligand 10." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "L36" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6GJJ", "evidence_id": "EV-PDB-6GJJ-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.38 }, "provenance": { "deposit_id": "6GJJ", "doi": "10.1039/c8sc03831g", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6GJJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Cyclophilin A complexed with tri-vector ligand 2." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "F1E", "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6GJI", "evidence_id": "EV-PDB-6GJI-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "6GJI", "doi": "10.1039/c8sc03831g", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6GJI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Cyclophilin A complexed with the tri-vector ligand 8." }, { "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": -0.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6BTA", "evidence_id": "EV-PDB-6BTA-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5 }, "provenance": { "deposit_id": "6BTA", "doi": "10.1038/s41467-018-03562-9", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6BTA" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CypA Mutant - S99T C115S" }, { "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": -0.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5WC7", "evidence_id": "EV-PDB-5WC7-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.43 }, "provenance": { "deposit_id": "5WC7", "doi": "10.1038/s41467-018-03562-9", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5WC7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CypA Mutant - I97V S99T C115S" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "78X" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5TA2", "evidence_id": "EV-PDB-5TA2-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.48 }, "provenance": { "deposit_id": "5TA2", "doi": "10.1021/acs.jmedchem.6b01329", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5TA2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Discovery of a Potent Cyclophilin Inhibitor (Compound 7) based on Structural Simplification of Sanglifehrin A" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "78R" ], "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": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5T9Z", "evidence_id": "EV-PDB-5T9Z-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.4 }, "provenance": { "deposit_id": "5T9Z", "doi": "10.1021/acs.jmedchem.6b01329", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5T9Z" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Discovery of a Potent Cyclophilin Inhibitor (Compound 6) based on Structural Simplification of Sanglifehrin A" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "78E" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5T9W", "evidence_id": "EV-PDB-5T9W-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "5T9W", "doi": "10.1021/acs.jmedchem.6b01329", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5T9W" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Discovery of a Potent Cyclophilin Inhibitor (Compound 5) based on Structural Simplification of Sanglifehrin A" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "7HG" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A,B,C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5T9U", "evidence_id": "EV-PDB-5T9U-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.301 }, "provenance": { "deposit_id": "5T9U", "doi": "10.1021/acs.jmedchem.6b01329", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5T9U" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Discovery of a Potent Cyclophilin Inhibitor (Compound 3) based on Structural Simplification of Sanglifehrin A" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "L99" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5NOZ", "evidence_id": "EV-PDB-5NOZ-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.61 }, "provenance": { "deposit_id": "5NOZ", "doi": "10.1016/j.jmb.2017.06.016", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5NOZ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of cyclophilin A in complex with 3,4-diaminobenzohydrazide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "93K" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5NOY", "evidence_id": "EV-PDB-5NOY-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.43 }, "provenance": { "deposit_id": "5NOY", "doi": "10.1016/j.jmb.2017.06.016", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5NOY" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of cyclophilin A in complex with 3,4-diaminobenzamide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "L97" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5NOX", "evidence_id": "EV-PDB-5NOX-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.49 }, "provenance": { "deposit_id": "5NOX", "doi": "10.1016/j.jmb.2017.06.016", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5NOX" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of cyclophilin A in complex with 2-chloropyridin-3-amine" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "L89" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5NOW", "evidence_id": "EV-PDB-5NOW-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.48 }, "provenance": { "deposit_id": "5NOW", "doi": "10.1016/j.jmb.2017.06.016", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5NOW" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of cyclophilin A in complex with pyridine-3,4-diamine" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "93B" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5NOV", "evidence_id": "EV-PDB-5NOV-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "5NOV", "doi": "10.1016/j.jmb.2017.06.016", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5NOV" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of cyclophilin A in complex with hexahydropyrimidine-2-thione" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "L60", "TRS" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5NOU", "evidence_id": "EV-PDB-5NOU-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.3 }, "provenance": { "deposit_id": "5NOU", "doi": "10.1016/j.jmb.2017.06.016", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5NOU" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of cyclophilin A in complex with hexahydropyrimidin-2-one" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "938" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5NOT", "evidence_id": "EV-PDB-5NOT-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.45 }, "provenance": { "deposit_id": "5NOT", "doi": "10.1016/j.jmb.2017.06.016", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5NOT" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of cyclophilin A in complex with 4-chloropyrimidin-5-amine" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "92Z" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5NOS", "evidence_id": "EV-PDB-5NOS-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.35 }, "provenance": { "deposit_id": "5NOS", "doi": "10.1016/j.jmb.2017.06.016", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5NOS" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of cyclophilin A in complex with 3-amino-1H-pyridin-2-one" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "93Q" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5NOR", "evidence_id": "EV-PDB-5NOR-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "5NOR", "doi": "10.1016/j.jmb.2017.06.016", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5NOR" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of cyclophilin A in complex with 3-methylpyridin-2-amine" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "93E" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5NOQ", "evidence_id": "EV-PDB-5NOQ-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "5NOQ", "doi": "10.1016/j.jmb.2017.06.016", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5NOQ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of cyclophilin A in complex with 3-chloropyridin-2-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": 7.5, "salt_mM": null, "temperature_c": 4.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5KV7", "evidence_id": "EV-PDB-5KV7-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "5KV7", "doi": "10.1107/S1600577516017343", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5KV7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human cyclophilin A at 278K, Data set 9" }, { "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": 4.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5KV6", "evidence_id": "EV-PDB-5KV6-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "5KV6", "doi": "10.1107/S1600577516017343", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5KV6" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human cyclophilin A at 278K, Data set 8" }, { "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": 4.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5KV4", "evidence_id": "EV-PDB-5KV4-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "5KV4", "doi": "10.1107/S1600577516017343", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5KV4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human cyclophilin A at 278K, Data set 6" }, { "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": 4.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5KV3", "evidence_id": "EV-PDB-5KV3-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "5KV3", "doi": "10.1107/S1600577516017343", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5KV3" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human cyclophilin A at 278K, Data set 5" }, { "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": 4.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5KV2", "evidence_id": "EV-PDB-5KV2-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "5KV2", "doi": "10.1107/S1600577516017343", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5KV2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human cyclophilin A at 278K, Data set 4" }, { "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": "Peptidyl-prolyl cis-trans isomerase A (chains J)", "labels": [] }, "data_format": "mmCIF + EMDB map", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6ZDJ", "evidence_id": "EV-PDB-6ZDJ-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 5.8 }, "provenance": { "deposit_id": "6ZDJ", "doi": "10.1038/s41594-020-0467-8", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6ZDJ" }, "reader": null, "source_kind": "deposit", "technique": "cryoem", "title": "Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-13,10)" }, { "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7ABT", "evidence_id": "EV-PDB-7ABT-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.31 }, "provenance": { "deposit_id": "7ABT", "doi": "10.1038/s41467-021-23691-y", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7ABT" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of PPIA in complex with PR dipeptide repeat" }, { "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": 8.4, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7PCJ", "evidence_id": "EV-PDB-7PCJ-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.91 }, "provenance": { "deposit_id": "7PCJ", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7PCJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "X-ray structure of CypA-C52AK125C/CsA/aromatic foldamer complex" }, { "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": 7.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7QBW", "evidence_id": "EV-PDB-7QBW-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.59 }, "provenance": { "deposit_id": "7QBW", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7QBW" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Cyclophilin A double mutant C52AK125C" }, { "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": 24.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7TA8", "evidence_id": "EV-PDB-7TA8-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "7TA8", "doi": "10.1021/jacs.2c02054", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7TA8" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "NMR structure of crosslinked cyclophilin A" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "EDO", "NH2", "WHL" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7UXM", "evidence_id": "EV-PDB-7UXM-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.2 }, "provenance": { "deposit_id": "7UXM", "doi": "10.1073/pnas.2210435119", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7UXM" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of PPIA in complex with FP29092, a Helicon Polypeptide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "WHL" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7UXN", "evidence_id": "EV-PDB-7UXN-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.36 }, "provenance": { "deposit_id": "7UXN", "doi": "10.1073/pnas.2210435119", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7UXN" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of PPIA in complex with FP29103, a Helicon Polypeptide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CL", "GNP", "MG", "YV2" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8G9P", "evidence_id": "EV-PDB-8G9P-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5 }, "provenance": { "deposit_id": "8G9P", "doi": "10.1126/science.adg9652", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8G9P" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tricomplex of RMC-4998, KRAS G12C, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GNP", "MG", "YV6" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8G9Q", "evidence_id": "EV-PDB-8G9Q-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.4 }, "provenance": { "deposit_id": "8G9Q", "doi": "10.1126/science.adg9652", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8G9Q" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tricomplex of Compound-1, KRAS G12C, and CypA" }, { "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": 19.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A, N-terminally processed (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8HZ8", "evidence_id": "EV-PDB-8HZ8-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.81 }, "provenance": { "deposit_id": "8HZ8", "doi": "10.1038/s41467-024-48364-4", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8HZ8" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of PPIA in complex with the peptide of NRF2" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "EDO", "GNP", "MG", "ZNI" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8TBF", "evidence_id": "EV-PDB-8TBF-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5 }, "provenance": { "deposit_id": "8TBF", "doi": "10.1038/s41586-024-07205-6", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8TBF" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tricomplex of RMC-7977, KRAS WT, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GNP", "GOL", "MG", "ZNI" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8TBG", "evidence_id": "EV-PDB-8TBG-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.2 }, "provenance": { "deposit_id": "8TBG", "doi": "10.1038/s41586-024-07205-6", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8TBG" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tricomplex of RMC-7977, HRAS WT, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GNP", "MG", "ZNI" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8TBH", "evidence_id": "EV-PDB-8TBH-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5 }, "provenance": { "deposit_id": "8TBH", "doi": "10.1038/s41586-024-07205-6", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8TBH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tricomplex of RMC-7977, KRAS G12R, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GNP", "MG", "ZNI" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8TBI", "evidence_id": "EV-PDB-8TBI-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.59 }, "provenance": { "deposit_id": "8TBI", "doi": "10.1038/s41586-024-07205-6", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8TBI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tricomplex of RMC-7977, NRAS WT, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "EDO", "GNP", "GOL", "MG", "ZNI" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8TBJ", "evidence_id": "EV-PDB-8TBJ-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.45 }, "provenance": { "deposit_id": "8TBJ", "doi": "10.1038/s41586-024-07205-6", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8TBJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tricomplex of RMC-7977, KRAS G12A, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GNP", "MG", "ZNI" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8TBK", "evidence_id": "EV-PDB-8TBK-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.26 }, "provenance": { "deposit_id": "8TBK", "doi": "10.1038/s41586-024-07205-6", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8TBK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tricomplex of RMC-7977, KRAS G12C, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GNP", "MG", "ZNI" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8TBL", "evidence_id": "EV-PDB-8TBL-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.88 }, "provenance": { "deposit_id": "8TBL", "doi": "10.1038/s41586-024-07205-6", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8TBL" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tricomplex of RMC-7977, KRAS G12D, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GNP", "GOL", "MG", "ZNI" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8TBM", "evidence_id": "EV-PDB-8TBM-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.57 }, "provenance": { "deposit_id": "8TBM", "doi": "10.1038/s41586-024-07205-6", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8TBM" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tricomplex of RMC-7977, KRAS G12V, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GNP", "MG", "ZNI" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8TBN", "evidence_id": "EV-PDB-8TBN-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.46 }, "provenance": { "deposit_id": "8TBN", "doi": "10.1038/s41586-024-07205-6", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8TBN" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tricomplex of RMC-7977, KRAS G12S, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AHB", "GNP", "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9AX6", "evidence_id": "EV-PDB-9AX6-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.65 }, "provenance": { "deposit_id": "9AX6", "doi": "10.1158/2159-8290.CD-24-0027", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9AX6" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tricomplex of Daraxonrasib (RMC-6236), KRAS G12D, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AOV", "GNP", "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9BFV", "evidence_id": "EV-PDB-9BFV-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.2 }, "provenance": { "deposit_id": "9BFV", "doi": "10.1021/acs.jmedchem.4c02313", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9BFV" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tri-complex of Compound-23, KRAS G12C, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AOM", "BTB", "GNP", "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": "Peptidyl-prolyl cis-trans isomerase A (chains D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9BFW", "evidence_id": "EV-PDB-9BFW-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.2 }, "provenance": { "deposit_id": "9BFW", "doi": "10.1021/acs.jmedchem.4c02313", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9BFW" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tri-complex of Compound-4, KRAS G12C, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AOD", "CL", "GNP", "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9BFX", "evidence_id": "EV-PDB-9BFX-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.4 }, "provenance": { "deposit_id": "9BFX", "doi": "10.1021/acs.jmedchem.4c02313", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9BFX" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tri-complex of Elironrasib (RMC-6291), KRAS G12C, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AOL", "CL", "GNP", "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9BFY", "evidence_id": "EV-PDB-9BFY-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.26 }, "provenance": { "deposit_id": "9BFY", "doi": "10.1021/acs.jmedchem.4c02313", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9BFY" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tri-complex of Compound-14, KRAS G12C, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AOK", "GNP", "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9BFZ", "evidence_id": "EV-PDB-9BFZ-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "9BFZ", "doi": "10.1021/acs.jmedchem.4c02313", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9BFZ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tri-complex of Compound-5, KRAS G12C, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AHB", "GNP", "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9BG0", "evidence_id": "EV-PDB-9BG0-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.64 }, "provenance": { "deposit_id": "9BG0", "doi": "10.1021/acs.jmedchem.4c02314", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9BG0" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tri-complex of Daraxonrasib (RMC-6236), NRAS WT, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AOH", "GNP", "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9BG1", "evidence_id": "EV-PDB-9BG1-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.51 }, "provenance": { "deposit_id": "9BG1", "doi": "10.1021/acs.jmedchem.4c02314", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9BG1" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tri-complex of Compound-3, KRAS G12V, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AOJ", "GNP", "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9BG2", "evidence_id": "EV-PDB-9BG2-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.64 }, "provenance": { "deposit_id": "9BG2", "doi": "10.1021/acs.jmedchem.4c02314", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9BG2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tri-complex of Compound-10, KRAS G12V, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AHB", "CL", "GNP", "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9BG3", "evidence_id": "EV-PDB-9BG3-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.33 }, "provenance": { "deposit_id": "9BG3", "doi": "10.1021/acs.jmedchem.4c02314", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9BG3" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tri-complex of Daraxonrasib (RMC-6236), NRAS Q61K, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AOG", "CL", "GNP", "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9BG4", "evidence_id": "EV-PDB-9BG4-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.14 }, "provenance": { "deposit_id": "9BG4", "doi": "10.1021/acs.jmedchem.4c02314", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9BG4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tri-complex of Compound-2, KRAS G12V, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AHB", "GNP", "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9BG5", "evidence_id": "EV-PDB-9BG5-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.67 }, "provenance": { "deposit_id": "9BG5", "doi": "10.1021/acs.jmedchem.4c02314", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9BG5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tri-complex of Daraxonrasib (RMC-6236), KRAS G13D, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AHB", "GNP", "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9BG6", "evidence_id": "EV-PDB-9BG6-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.66 }, "provenance": { "deposit_id": "9BG6", "doi": "10.1021/acs.jmedchem.4c02314", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9BG6" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tri-complex of Daraxonrasib (RMC-6236), KRAS G12V, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AOI", "GNP", "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9BG7", "evidence_id": "EV-PDB-9BG7-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "9BG7", "doi": "10.1021/acs.jmedchem.4c02314", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9BG7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tri-complex of Compound-6, KRAS G12V, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AHB", "BTB", "GNP", "MG" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9BG8", "evidence_id": "EV-PDB-9BG8-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.2 }, "provenance": { "deposit_id": "9BG8", "doi": "10.1021/acs.jmedchem.4c02314", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9BG8" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tri-complex of Daraxonrasib (RMC-6236), NRAS Q61R, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AHB", "GNP", "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9BG9", "evidence_id": "EV-PDB-9BG9-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.58 }, "provenance": { "deposit_id": "9BG9", "doi": "10.1021/acs.jmedchem.4c02314", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9BG9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tri-complex of Daraxonrasib (RMC-6236), KRAS WT, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AHB", "GNP", "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9BGA", "evidence_id": "EV-PDB-9BGA-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.41 }, "provenance": { "deposit_id": "9BGA", "doi": "10.1021/acs.jmedchem.4c02314", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9BGA" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tri-complex of Daraxonrasib (RMC-6236), KRAS G12C, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AHB", "GNP", "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9BGB", "evidence_id": "EV-PDB-9BGB-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.68 }, "provenance": { "deposit_id": "9BGB", "doi": "10.1021/acs.jmedchem.4c02314", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9BGB" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tri-complex of Daraxonrasib (RMC-6236), KRAS Q61H, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AHB", "GNP", "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9BGC", "evidence_id": "EV-PDB-9BGC-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.87 }, "provenance": { "deposit_id": "9BGC", "doi": "10.1021/acs.jmedchem.4c02314", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9BGC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tri-complex of Daraxonrasib (RMC-6236), KRAS G12R, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AHB", "GNP", "MG" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9BGD", "evidence_id": "EV-PDB-9BGD-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.76 }, "provenance": { "deposit_id": "9BGD", "doi": "10.1021/acs.jmedchem.4c02314", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9BGD" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tri-complex of Daraxonrasib (RMC-6236), NRAS Q61L, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "AF3", "GDP", "MG", "ZNI" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains B,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9BHO", "evidence_id": "EV-PDB-9BHO-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.89 }, "provenance": { "deposit_id": "9BHO", "doi": "10.1038/s41586-024-08283-2", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9BHO" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of KRAS G12S in a transition state mimetic complex with CYPA and RMC-7977" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "AF3", "GDP", "MG", "ZNI" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains B,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9BHP", "evidence_id": "EV-PDB-9BHP-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "9BHP", "doi": "10.1038/s41586-024-08283-2", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9BHP" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of KRAS G12C in a transition state mimetic complex with CYPA and RMC-7977" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "AF3", "GDP", "MG", "ZNI" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains B,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9BHQ", "evidence_id": "EV-PDB-9BHQ-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "9BHQ", "doi": "10.1038/s41586-024-08283-2", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9BHQ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of KRAS G12A in a transition state mimetic complex with CYPA and RMC-7977" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GNP", "MG", "ZNI" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains B,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9BI1", "evidence_id": "EV-PDB-9BI1-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.65 }, "provenance": { "deposit_id": "9BI1", "doi": "10.1038/s41586-024-08283-2", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9BI1" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of GMPPNP bound KRAS G12D in complex with CYPA and RMC-7977" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GNP", "MG", "ZNI" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains B,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9BI2", "evidence_id": "EV-PDB-9BI2-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.15 }, "provenance": { "deposit_id": "9BI2", "doi": "10.1038/s41586-024-08283-2", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9BI2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of GMPPNP bound KRAS G12C in complex with CYPA and RMC-7977" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AZV", "CL", "GNP", "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9CT7", "evidence_id": "EV-PDB-9CT7-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.42 }, "provenance": { "deposit_id": "9CT7", "doi": "10.1126/science.ads0239", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9CT7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tricomplex of Compound 1, KRAS G12D, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AZX", "CL", "GNP", "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9CT8", "evidence_id": "EV-PDB-9CT8-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.28 }, "provenance": { "deposit_id": "9CT8", "doi": "10.1126/science.ads0239", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9CT8" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tricomplex of Compound 2, KRAS G12D, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AZY", "CL", "GNP", "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9CT9", "evidence_id": "EV-PDB-9CT9-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.35 }, "provenance": { "deposit_id": "9CT9", "doi": "10.1126/science.ads0239", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9CT9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tricomplex of Compound 3, KRAS G12D, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "NH2", "WHL" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A,B,C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7UXJ", "evidence_id": "EV-PDB-7UXJ-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.07 }, "provenance": { "deposit_id": "7UXJ", "doi": "10.1073/pnas.2210435119", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7UXJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of PPIA in complex with FP29102, a Helicon Polypeptide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ZN" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A,B)", "labels": [] }, "data_format": "mmCIF + EMDB map", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7UPN", "evidence_id": "EV-PDB-7UPN-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.5 }, "provenance": { "deposit_id": "7UPN", "doi": "10.1126/sciadv.add3422", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7UPN" }, "reader": null, "source_kind": "deposit", "technique": "cryoem", "title": "Maedi visna virus Vif in complex with CypA and E3 ubiquitin ligase" }, { "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": "Peptidyl-prolyl cis-trans isomerase A (chains GGG,HHH,III)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7N9X", "evidence_id": "EV-PDB-7N9X-5", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.511 }, "provenance": { "deposit_id": "7N9X", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7N9X" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CA-targeting nanobody is a tool for studying HIV-1 capsid lattice interactions" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1BEA", "CL", "GNP", "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": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9E3S", "evidence_id": "EV-PDB-9E3S-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.08 }, "provenance": { "deposit_id": "9E3S", "doi": "10.1126/science.ads0239", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9E3S" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tricomplex of RMC-9945, KRAS G12N, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1CYT", "GNP", "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": "Peptidyl-prolyl cis-trans isomerase A (chains B,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9YOW", "evidence_id": "EV-PDB-9YOW-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.57 }, "provenance": { "deposit_id": "9YOW", "doi": "10.1016/j.cell.2026.03.031", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9YOW" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of GMPPNP bound KRAS G12C in complex with CYPA and RMC-4791" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1ILH", "CL" ], "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": "Peptidyl-prolyl cis-trans isomerase A (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9GHY", "evidence_id": "EV-PDB-9GHY-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.15 }, "provenance": { "deposit_id": "9GHY", "doi": "10.1021/acsmedchemlett.4c00427", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9GHY" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Cyclophilin A in complex with Sanglifehrin A analogue (2R,3S,7S,10S,E)-10-(3-aminopropyl)-2,7-dimethylspiro[3,8,11-triaza-1(2,7)-quinolina-5(3,1)-pyridazinacyclopentadecaphanene-13,5'-[1,3]dioxan]-14-ene-4,6,9,12-tetraone" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AZZ", "CL", "GNP", "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9CTB", "evidence_id": "EV-PDB-9CTB-1", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.29 }, "provenance": { "deposit_id": "9CTB", "doi": "10.1126/science.ads0239", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9CTB" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tri-complex of zoldonrasib (RMC-9805), KRAS G12D, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AZW", "GNP", "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": "Peptidyl-prolyl cis-trans isomerase A (chains C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9CTA", "evidence_id": "EV-PDB-9CTA-2", "mappings": [ { "confidence": "low", "justification": "Experimental structure of CypA; the ground state dominates crystal and NMR structures.", "rule": "cypa-structures-major", "state_id": "CypA-major", "who": "rule:cypa-structures-major" } ], "molecule_id": "P62937", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.29 }, "provenance": { "deposit_id": "9CTA", "doi": "10.1126/science.ads0239", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9CTA" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Tricomplex of RMC-9945, KRAS G12D, and CypA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 6.5, "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=2208", "evidence_id": "EV-BMRB-2208", "mappings": [], "molecule_id": "P62937", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr2208", "doi": "10.13018/BMR2208", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=2208" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "1H, 13C and 15N backbone assignments of cyclophilin when bound to cyclosporin A (CsA) and preliminary structural characterization of the CsA binding site" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 6.8, "salt_mM": null, "temperature_c": 31.85 }, "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=25104", "evidence_id": "EV-BMRB-25104", "mappings": [], "molecule_id": "P62937", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr25104", "doi": "10.13018/BMR25104", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=25104" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "CYCLOPHILIN A COMPLEXED WITH A FRAGMENT OF CRK-II" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 6.5, "salt_mM": null, "temperature_c": 9.85 }, "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=25337", "evidence_id": "EV-BMRB-25337", "mappings": [], "molecule_id": "P62937", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr25337", "doi": "10.13018/BMR25337", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=25337" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Backbone assignments for human Cyclophilin A with saturating concentrations of the model peptide GSFGPDLRAGD" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 6.5, "salt_mM": null, "temperature_c": 25.85 }, "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=25502", "evidence_id": "EV-BMRB-25502", "mappings": [], "molecule_id": "P62937", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr25502", "doi": "10.13018/BMR25502", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=25502" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Extending the eNOE data set of large proteins by evaluation of NOEs with unresolved diagonals" }, { "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": 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=27620", "evidence_id": "EV-BMRB-27620", "mappings": [], "molecule_id": "P62937", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr27620", "doi": "10.13018/BMR27620", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=27620" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "human CYPA/PPIA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 6.5, "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=30977", "evidence_id": "EV-BMRB-30977", "mappings": [], "molecule_id": "P62937", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr30977", "doi": "10.13018/BMR30977", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=30977" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "NMR structure of crosslinked cyclophilin A" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 6.8, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "BMRB data: 1H chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=531", "evidence_id": "EV-BMRB-531", "mappings": [], "molecule_id": "P62937", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr531", "doi": "10.13018/BMR531", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=531" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "1H NMR Studies on Bovine Cyclophilin: Preliminary Structural Characterization of Its Complex with Cyclosporin A" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 6.8, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "BMRB data: 1H chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=532", "evidence_id": "EV-BMRB-532", "mappings": [], "molecule_id": "P62937", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr532", "doi": "10.13018/BMR532", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=532" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "1H NMR Studies on Bovine Cyclophilin: Preliminary Structural Characterization of Its Complex with Cyclosporin A" }, { "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 1-165", "labels": [] }, "data_format": "mmCIF, PAE JSON", "data_level": "processed", "data_link": "https://alphafold.ebi.ac.uk/entry/P62937", "evidence_id": "EV-AFDB-AF-P62937-F1", "mappings": [], "molecule_id": "P62937", "observable": { "type": "plddt", "uncertainty": null, "unit": "pLDDT", "value": 98.06 }, "provenance": { "deposit_id": "AF-P62937-F1", "doi": null, "licence": "CC BY 4.0", "retrieved": "2026-10-19", "source": "AlphaFold DB", "url": "https://alphafold.ebi.ac.uk/entry/P62937" }, "reader": null, "source_kind": "computed", "technique": "af_prediction", "title": "AlphaFold DB prediction AF-P62937-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 2CPL; Amber Parm99", "labels": [] }, "data_format": "trajectory", "data_level": "processed", "data_link": "https://mmb.mddbr.eu/#/id/A00A6/overview", "evidence_id": "EV-MDDB-A00A6", "mappings": [], "molecule_id": "P62937", "observable": { "type": "trajectory", "uncertainty": null, "unit": "ns", "value": 10.0 }, "provenance": { "deposit_id": "A00A6", "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/A00A6/overview" }, "reader": null, "source_kind": "computed", "technique": "md", "title": "MoDEL 2CPL" } ], "models": [ { "assumptions": null, "basis": "observed", "constraints_used": [ "EV-PDB-3K0N-1" ], "file": "models/P62937/CypA-major.cif", "format": "mmCIF", "model_id": "CypA-major-cif", "molecule_id": "P62937", "provenance": { "deposit_id": "3K0N", "doi": "10.1038/nature08615", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://files.rcsb.org/download/3K0N.cif" }, "state_id": "CypA-major" }, { "assumptions": null, "basis": "observed", "constraints_used": [ "EV-PDB-3K0N-1" ], "file": "models/P62937/CypA-major.pdb", "format": "PDB", "model_id": "CypA-major-pdb", "molecule_id": "P62937", "provenance": { "deposit_id": "3K0N", "doi": "10.1038/nature08615", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://files.rcsb.org/download/3K0N.pdb" }, "state_id": "CypA-major" } ], "molecule": { "components": [], "domains": [ { "end": 163, "name": "PPIase cyclophilin-type", "start": 7 } ], "gene": "PPIA", "identifiers": { "genbank": null, "isoform": null, "nakb": null, "pdb": [], "rfam": null, "rnacentral": null, "uniprot": "P62937" }, "ligands": [], "modifications": [ { "kind": "ptm", "name": "N-acetylmethionine", "position": 1, "source": "UniProtKB" }, { "kind": "ptm", "name": "N-acetylvaline; partial; in Peptidyl-prolyl cis-trans isomerase A, N-terminally processed", "position": 2, "source": "UniProtKB" }, { "kind": "ptm", "name": "N6-acetyllysine; alternate", "position": 28, "source": "UniProtKB" }, { "kind": "ptm", "name": "N6-acetyllysine", "position": 44, "source": "UniProtKB" }, { "kind": "ptm", "name": "N6-acetyllysine", "position": 76, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphoserine", "position": 77, "source": "UniProtKB" }, { "kind": "ptm", "name": "N6-acetyllysine; alternate", "position": 82, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphothreonine", "position": 93, "source": "UniProtKB" }, { "kind": "ptm", "name": "N6-acetyllysine", "position": 125, "source": "UniProtKB" }, { "kind": "ptm", "name": "N6-acetyllysine", "position": 131, "source": "UniProtKB" }, { "kind": "ptm", "name": "N6-acetyllysine", "position": 133, "source": "UniProtKB" } ], "molecule_id": "P62937", "molecule_type": "protein", "name": "Peptidyl-prolyl cis-trans isomerase A", "organism": { "name": "Homo sapiens", "taxon_id": 9606 }, "provenance": { "deposit_id": "P62937", "doi": null, "licence": "CC BY 4.0 (UniProt)", "retrieved": "2026-10-19", "source": "UniProtKB", "url": "https://www.uniprot.org/uniprotkb/P62937/entry" }, "sequence": "MVNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGFMCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE", "sequence_length": 165 }, "molecule_id": "P62937", "states": [ { "assumptions": [], "basis": "observed", "description": "Ground-state fold; the room-temperature structure 3K0N also models alternative side-chain conformers.", "family_label": null, "molecule_id": "P62937", "name": "major (ground) state", "parent_state": null, "population": null, "provenance": { "deposit_id": null, "doi": null, "licence": "Project licence (pending decision)", "retrieved": "2026-10-19", "source": "Conformome curation (P62937.yaml)", "url": "https://github.com/matth55/conformome/blob/HEAD/curation/P62937.yaml" }, "representative_model": "CypA-major-cif", "secondary_structure": null, "state_id": "CypA-major", "status": "draft" }, { "assumptions": [ "Population and structure are inferred from relaxation dispersion fits and alternative conformers, not resolved directly.", "Assumes two-state exchange; no model is exported." ], "basis": "inferred", "description": "Low-population state exchanging with the ground state on the catalytic timescale, seen by NMR relaxation dispersion.", "family_label": null, "molecule_id": "P62937", "name": "minor (excited) state", "parent_state": null, "population": null, "provenance": { "deposit_id": null, "doi": null, "licence": "Project licence (pending decision)", "retrieved": "2026-10-19", "source": "Conformome curation (P62937.yaml)", "url": "https://github.com/matth55/conformome/blob/HEAD/curation/P62937.yaml" }, "representative_model": null, "secondary_structure": null, "state_id": "CypA-minor", "status": "draft" } ], "transitions": [] }