{ "conflicts": [], "coverage": { "cells": { "Pin1-native": { "af_prediction": 1, "md": 1, "nmr_shifts": 25, "nmr_structure": 29, "xray": 166 }, "Pin1-unfolded": { "af_prediction": 0, "md": 0, "nmr_shifts": 0, "nmr_structure": 0, "xray": 0 } }, "data_levels": { "Pin1-native": { "af_prediction": "processed", "md": "processed", "nmr_shifts": "processed", "nmr_structure": "processed", "xray": "processed" }, "Pin1-unfolded": {} }, "single_method_states": [], "states": [ "Pin1-native", "Pin1-unfolded" ], "techniques": [ "xray", "nmr_structure", "nmr_shifts", "af_prediction", "md" ], "unmapped_evidence": 0 }, "curation": { "as_of": "2026-10-19", "curator": "draft (unreviewed)", "file": "Q13526.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": 6.4, "salt_mM": null, "temperature_c": 11.85 }, "construct": { "description": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1I6C", "evidence_id": "EV-PDB-1I6C-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1I6C", "doi": "10.1074/jbc.M010327200", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1I6C" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "SOLUTION STRUCTURE OF PIN1 WW 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": 6.4, "salt_mM": null, "temperature_c": 11.85 }, "construct": { "description": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 (chains B)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1I8H", "evidence_id": "EV-PDB-1I8H-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1I8H", "doi": "10.1074/jbc.M010327200", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1I8H" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "SOLUTION STRUCTURE OF PIN1 WW DOMAIN COMPLEXED WITH HUMAN TAU PHOSPHOTHREONINE PEPTIDE" }, { "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": 6.6, "salt_mM": null, "temperature_c": 26.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1NMV", "evidence_id": "EV-PDB-1NMV-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1NMV", "doi": "10.1074/jbc.M300721200", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1NMV" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Solution structure of human Pin1" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.6, "salt_mM": null, "temperature_c": 26.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1NMW", "evidence_id": "EV-PDB-1NMW-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1NMW", "doi": "10.1074/jbc.M300721200", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1NMW" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Solution structure of the PPIase domain of human Pin1" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "1PG", "ALA", "PRO", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1PIN", "evidence_id": "EV-PDB-1PIN-1", "mappings": [ { "confidence": "high", "justification": "Representative native structure; title and UniProt mapping checked against RCSB.", "rule": "curator_assignment", "state_id": "Pin1-native", "who": "curator:draft (unreviewed)" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.35 }, "provenance": { "deposit_id": "1PIN", "doi": "10.1016/S0092-8674(00)80273-1", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1PIN" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PIN1 PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FROM HOMO SAPIENS" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "1PE", "PO4" ], "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 NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1ZCN", "evidence_id": "EV-PDB-1ZCN-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "1ZCN", "doi": "10.1073/pnas.0600511103", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1ZCN" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "human Pin1 Ng mutant" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "1PE" ], "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 NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2F21", "evidence_id": "EV-PDB-2F21-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5 }, "provenance": { "deposit_id": "2F21", "doi": "10.1073/pnas.0600511103", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2F21" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "human Pin1 Fip mutant" }, { "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": 15.05 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2KBU", "evidence_id": "EV-PDB-2KBU-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2KBU", "doi": "10.1073/pnas.0813012106", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2KBU" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "NMR solution structure of Pin1 WW domain mutant with beta turn mimic at position 12" }, { "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": 6.2, "salt_mM": null, "temperature_c": 4.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2KCF", "evidence_id": "EV-PDB-2KCF-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2KCF", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2KCF" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "The NMR solution structure of the isolated Apo Pin1 WW domain" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": 11.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2LB3", "evidence_id": "EV-PDB-2LB3-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2LB3", "doi": "10.1101/gad.2060811", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2LB3" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Structure of the WW domain of PIN1 in complex with a human phosphorylated Smad3 derived peptide" }, { "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 NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2M8I", "evidence_id": "EV-PDB-2M8I-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2M8I", "doi": "10.1021/ja405244v", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2M8I" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Structure of Pin1 WW domain" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": 17.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2M8J", "evidence_id": "EV-PDB-2M8J-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2M8J", "doi": "10.1021/ja405244v", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2M8J" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Structure of Pin1 WW domain phospho-mimic S16E" }, { "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": 11.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2M9E", "evidence_id": "EV-PDB-2M9E-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2M9E", "doi": "10.1021/ja4040472", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2M9E" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "NMR solution structure of Pin1 WW domain mutant 5-1" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "NAG" ], "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": 11.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2M9F", "evidence_id": "EV-PDB-2M9F-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2M9F", "doi": "10.1021/ja4040472", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2M9F" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "NMR solution structure of Pin1 WW domain mutant 5-1g" }, { "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": 11.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2M9I", "evidence_id": "EV-PDB-2M9I-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2M9I", "doi": "10.1021/ja4040472", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2M9I" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "NMR solution structure of Pin1 WW domain variant 6-1" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "NAG" ], "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": 11.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2M9J", "evidence_id": "EV-PDB-2M9J-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2M9J", "doi": "10.1021/ja4040472", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2M9J" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "NMR solution structure of Pin1 WW domain mutant 6-1g" }, { "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": 11.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2N1O", "evidence_id": "EV-PDB-2N1O-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2N1O", "doi": "10.1038/srep14990", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2N1O" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "PIN1 WW domain in complex with a phosphorylated CPEB1 derived peptide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "16P" ], "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 NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2Q5A", "evidence_id": "EV-PDB-2Q5A-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5 }, "provenance": { "deposit_id": "2Q5A", "doi": "10.1021/cb7000044", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2Q5A" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "human Pin1 bound to L-PEPTIDE" }, { "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": 6.6, "salt_mM": null, "temperature_c": 25.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2RUR", "evidence_id": "EV-PDB-2RUR-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2RUR", "doi": "10.1021/acs.biochem.5b00606", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2RUR" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Solution structure of Human Pin1 PPIase C113S mutant" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "12P", "B21" ], "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": 3.85 }, "construct": { "description": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2XP3", "evidence_id": "EV-PDB-2XP3-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "2XP3", "doi": "10.1016/J.BMCL.2010.09.063", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2XP3" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "12P", "G14" ], "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": 3.85 }, "construct": { "description": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2XP4", "evidence_id": "EV-PDB-2XP4-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "2XP4", "doi": "10.1016/J.BMCL.2010.09.063", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2XP4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "12P", "4FF" ], "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": 3.85 }, "construct": { "description": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2XP5", "evidence_id": "EV-PDB-2XP5-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "2XP5", "doi": "10.1016/J.BMCL.2010.09.063", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2XP5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "12P", "4F8" ], "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": 3.85 }, "construct": { "description": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2XP7", "evidence_id": "EV-PDB-2XP7-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "2XP7", "doi": "10.1016/J.BMCL.2010.09.063", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2XP7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "12P", "4FY" ], "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": 3.85 }, "construct": { "description": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2XP8", "evidence_id": "EV-PDB-2XP8-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "2XP8", "doi": "10.1016/J.BMCL.2010.09.063", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2XP8" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "12P", "4G8" ], "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": 3.85 }, "construct": { "description": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2XP9", "evidence_id": "EV-PDB-2XP9-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "2XP9", "doi": "10.1016/J.BMCL.2010.09.063", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2XP9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "12P", "4G5" ], "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": 3.85 }, "construct": { "description": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2XPA", "evidence_id": "EV-PDB-2XPA-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "2XPA", "doi": "10.1016/J.BMCL.2010.09.063", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2XPA" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "12P", "4GE" ], "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": 3.85 }, "construct": { "description": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2XPB", "evidence_id": "EV-PDB-2XPB-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "2XPB", "doi": "10.1016/J.BMCL.2010.09.063", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2XPB" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "1PG", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2ZQS", "evidence_id": "EV-PDB-2ZQS-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.902 }, "provenance": { "deposit_id": "2ZQS", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2ZQS" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of a mutant PIN1 PEPTIDYL-PROLYL CIS-TRANS ISOMERASE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "1PG", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2ZQT", "evidence_id": "EV-PDB-2ZQT-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.462 }, "provenance": { "deposit_id": "2ZQT", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2ZQT" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of a mutant PIN1 PEPTIDYL-PROLYL CIS-TRANS ISOMERASE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2ZQU", "evidence_id": "EV-PDB-2ZQU-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.5 }, "provenance": { "deposit_id": "2ZQU", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2ZQU" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of a mutant PIN1 PEPTIDYL-PROLYL CIS-TRANS ISOMERASE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "1PG", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2ZQV", "evidence_id": "EV-PDB-2ZQV-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.498 }, "provenance": { "deposit_id": "2ZQV", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2ZQV" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of a mutant PIN1 PEPTIDYL-PROLYL CIS-TRANS ISOMERASE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "1PG", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2ZR4", "evidence_id": "EV-PDB-2ZR4-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "2ZR4", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2ZR4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of a mutant PIN1 peptidyl-prolyl cis-trans isomerase" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "1PG", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2ZR5", "evidence_id": "EV-PDB-2ZR5-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.6 }, "provenance": { "deposit_id": "2ZR5", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2ZR5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of a mutant PIN1 peptidyl-prolyl cis-trans isomerase" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "1PG", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2ZR6", "evidence_id": "EV-PDB-2ZR6-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.2 }, "provenance": { "deposit_id": "2ZR6", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2ZR6" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of a mutant PIN1 peptidyl-prolyl cis-trans isomerase" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GIA" ], "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": -180.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3I6C", "evidence_id": "EV-PDB-3I6C-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.3 }, "provenance": { "deposit_id": "3I6C", "doi": "10.1016/j.bmcl.2010.02.033", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3I6C" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure-Based Design of Novel PIN1 Inhibitors (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": 8.0, "salt_mM": null, "temperature_c": -180.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3IK8", "evidence_id": "EV-PDB-3IK8-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.85 }, "provenance": { "deposit_id": "3IK8", "doi": "10.1016/j.bmcl.2009.08.034", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3IK8" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure-Based Design of Novel PIN1 Inhibitors (I)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "J9Z" ], "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": -180.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3IKD", "evidence_id": "EV-PDB-3IKD-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "3IKD", "doi": "10.1016/j.bmcl.2009.08.034", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3IKD" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure-Based Design of Novel PIN1 Inhibitors (I)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "J8Z" ], "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": -163.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3IKG", "evidence_id": "EV-PDB-3IKG-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.86 }, "provenance": { "deposit_id": "3IKG", "doi": "10.1016/j.bmcl.2009.08.034", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3IKG" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure-Based Design of Novel PIN1 Inhibitors (I)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "12P", "4BL", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3KAB", "evidence_id": "EV-PDB-3KAB-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.19 }, "provenance": { "deposit_id": "3KAB", "doi": "10.1016/j.bmcl.2009.11.090", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3KAB" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure-guided design of alpha-amino acid-derived Pin1 inhibitors" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "4BX" ], "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 NIMA-interacting 1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3KAC", "evidence_id": "EV-PDB-3KAC-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "3KAC", "doi": "10.1016/j.bmcl.2009.11.090", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3KAC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure-guided design of alpha-amino acid-derived Pin1 inhibitors" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "4D9" ], "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 NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3KAF", "evidence_id": "EV-PDB-3KAF-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "3KAF", "doi": "10.1016/j.bmcl.2009.11.090", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3KAF" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure-guided design of alpha-amino acid-derived Pin1 inhibitors" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "12P", "4C0" ], "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 NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3KAD", "evidence_id": "EV-PDB-3KAD-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.95 }, "provenance": { "deposit_id": "3KAD", "doi": "10.1016/j.bmcl.2009.11.090", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3KAD" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure-guided design of alpha-amino acid-derived Pin1 inhibitors" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "JZI" ], "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": -170.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3JYJ", "evidence_id": "EV-PDB-3JYJ-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.87 }, "provenance": { "deposit_id": "3JYJ", "doi": "10.1016/j.bmcl.2010.02.033", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3JYJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure-Based Design of Novel PIN1 Inhibitors (II)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "12P", "4G2" ], "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": 3.85 }, "construct": { "description": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2XP6", "evidence_id": "EV-PDB-2XP6-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "2XP6", "doi": "10.1016/J.BMCL.2010.09.063", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2XP6" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION" }, { "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": 6.6, "salt_mM": null, "temperature_c": 25.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2RUQ", "evidence_id": "EV-PDB-2RUQ-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2RUQ", "doi": "10.1021/acs.biochem.5b00606", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2RUQ" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "solution structure of human Pin1 PPIase mutant C113A" }, { "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": 6.6, "salt_mM": null, "temperature_c": 25.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2RUD", "evidence_id": "EV-PDB-2RUD-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2RUD", "doi": "10.1021/bi5007817", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2RUD" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Solution structure of the peptidyl prolyl cis-trans isomerase domain of C113D mutant human Pin1 with sulfate ion" }, { "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": 6.6, "salt_mM": null, "temperature_c": 25.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2RUC", "evidence_id": "EV-PDB-2RUC-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2RUC", "doi": "10.1021/bi5007817", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2RUC" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Solution structure of the peptidyl prolyl cis-trans isomerase domain of human Pin1 with sulfate ion" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PE4" ], "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 NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2ITK", "evidence_id": "EV-PDB-2ITK-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.45 }, "provenance": { "deposit_id": "2ITK", "doi": "10.1021/cb7000044", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2ITK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "human Pin1 bound to D-PEPTIDE" }, { "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": 6.4, "salt_mM": null, "temperature_c": 11.85 }, "construct": { "description": "PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 (chains B)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1I8G", "evidence_id": "EV-PDB-1I8G-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1I8G", "doi": "10.1074/jbc.M010327200", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1I8G" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "SOLUTION STRUCTURE OF PIN1 WW DOMAIN COMPLEXED WITH CDC25 PHOSPHOTHREONINE PEPTIDE" }, { "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 NIMA-INTERACTING 1 (chains B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1F8A", "evidence_id": "EV-PDB-1F8A-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.84 }, "provenance": { "deposit_id": "1F8A", "doi": "10.1038/77929", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1F8A" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "STRUCTURAL BASIS FOR THE PHOSPHOSERINE-PROLINE RECOGNITION BY GROUP IV WW DOMAINS" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "12P", "4D7" ], "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 NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3KAG", "evidence_id": "EV-PDB-3KAG-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "3KAG", "doi": "10.1016/j.bmcl.2009.11.090", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3KAG" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure-guided design of alpha-amino acid-derived Pin1 inhibitors" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "12P", "4DH" ], "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 NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3KAH", "evidence_id": "EV-PDB-3KAH-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "3KAH", "doi": "10.1016/j.bmcl.2009.11.090", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3KAH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure-guided design of alpha-amino acid-derived Pin1 inhibitors" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "12P", "4FI" ], "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 NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3KAI", "evidence_id": "EV-PDB-3KAI-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "3KAI", "doi": "10.1016/j.bmcl.2009.11.090", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3KAI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure-guided design of alpha-amino acid-derived Pin1 inhibitors" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "12P", "4BY" ], "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 NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3KCE", "evidence_id": "EV-PDB-3KCE-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "3KCE", "doi": "10.1016/j.bmcl.2009.11.090", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3KCE" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure-guided design of alpha-amino acid-derived Pin1 inhibitors" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PE8", "RZD" ], "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 NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3NTP", "evidence_id": "EV-PDB-3NTP-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.762 }, "provenance": { "deposit_id": "3NTP", "doi": "10.1021/bi201055c", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3NTP" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Pin1 complexed with reduced amide inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ODK", "PE4" ], "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 NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3ODK", "evidence_id": "EV-PDB-3ODK-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "3ODK", "doi": "10.1016/j.bmcl.2010.09.063", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3ODK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "KDH", "PE4", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3OOB", "evidence_id": "EV-PDB-3OOB-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.89 }, "provenance": { "deposit_id": "3OOB", "doi": "10.1158/1940-6207.CAPR-11-0301", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3OOB" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structural and functional insights of directly targeting Pin1 by Epigallocatechin-3-gallate" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "3T5", "P6G" ], "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": -196.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3TC5", "evidence_id": "EV-PDB-3TC5-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.4 }, "provenance": { "deposit_id": "3TC5", "doi": "10.1021/cb2001796", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3TC5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Selective targeting of disease-relevant protein binding domains by O-phosphorylated natural product derivatives" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PE4", "R2Z" ], "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 NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3TCZ", "evidence_id": "EV-PDB-3TCZ-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "3TCZ", "doi": "10.1021/cb3000887", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3TCZ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Pin1 bound to cis peptidomimetic inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "3TB", "PE4" ], "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 NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3TDB", "evidence_id": "EV-PDB-3TDB-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.267 }, "provenance": { "deposit_id": "3TDB", "doi": "10.1021/cb3000887", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3TDB" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Pin1 bound to trans peptidomimetic inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "DTT", "O4B", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -73.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3WH0", "evidence_id": "EV-PDB-3WH0-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "3WH0", "doi": "10.1002/anie.201405664", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3WH0" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of Pin1 Complex with 18-crown-6" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "LMR" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4GWT", "evidence_id": "EV-PDB-4GWT-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.25 }, "provenance": { "deposit_id": "4GWT", "doi": "10.1107/S090744491302444X", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4GWT" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of racemic Pin1 WW domain cocrystallized with DL-malic acid" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FLC" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4GWV", "evidence_id": "EV-PDB-4GWV-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.05 }, "provenance": { "deposit_id": "4GWV", "doi": "10.1107/S090744491302444X", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4GWV" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of racemic Pin1 WW domain cocrystallized with tri-ammonium citrate" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PE4", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.4, "salt_mM": null, "temperature_c": -158.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4QIB", "evidence_id": "EV-PDB-4QIB-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.865 }, "provenance": { "deposit_id": "4QIB", "doi": "10.1016/j.bbadis.2014.12.025", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4QIB" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Oxidation-Mediated Inhibition of the Peptidyl-Prolyl Isomerase Pin1" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "REA" ], "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 NIMA-interacting 1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4TNS", "evidence_id": "EV-PDB-4TNS-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.33 }, "provenance": { "deposit_id": "4TNS", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4TNS" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of Pin1 PPIase domain bound with all-trans retinoic acid" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "39X", "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": -80.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4TYO", "evidence_id": "EV-PDB-4TYO-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.75 }, "provenance": { "deposit_id": "4TYO", "doi": "10.1016/j.bmcl.2014.07.044", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4TYO" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PPIase in complex with a non-phosphate small molecule inhibitor." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "15P" ], "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 NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4U84", "evidence_id": "EV-PDB-4U84-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.78 }, "provenance": { "deposit_id": "4U84", "doi": "10.1016/j.nbd.2014.12.027", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4U84" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Pin1 with S-hydroxyl-cysteine 113" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "15P" ], "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 NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4U85", "evidence_id": "EV-PDB-4U85-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "4U85", "doi": "10.1016/j.nbd.2014.12.027", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4U85" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Pin1 with cysteine sulfinic acid 113" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "1PG" ], "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 NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4U86", "evidence_id": "EV-PDB-4U86-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "4U86", "doi": "10.1016/j.nbd.2014.12.027", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4U86" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Pin1 with cysteine sulfonic acid 113" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CIT", "branched: alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose" ], "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 NIMA-interacting 1,Maltose-binding periplasmic protein (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5B3W", "evidence_id": "EV-PDB-5B3W-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.4 }, "provenance": { "deposit_id": "5B3W", "doi": "10.1038/srep34654", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5B3W" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of hPin1 WW domain (5-15) fused with maltose-binding protein in C2221 form" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "branched: alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose" ], "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 NIMA-interacting 1,Maltose-binding periplasmic protein (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5B3X", "evidence_id": "EV-PDB-5B3X-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.4 }, "provenance": { "deposit_id": "5B3X", "doi": "10.1038/srep34654", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5B3X" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of hPin1 WW domain (5-15) fused with maltose-binding protein in P41212 form" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "branched: alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose" ], "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 NIMA-interacting 1,Maltose-binding periplasmic protein (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5B3Y", "evidence_id": "EV-PDB-5B3Y-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.901 }, "provenance": { "deposit_id": "5B3Y", "doi": "10.1038/srep34654", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5B3Y" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of hPin1 WW domain (5-23) fused with maltose-binding protein" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "branched: alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose" ], "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 NIMA-interacting 1,Maltose-binding periplasmic protein (chains A,B,C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5B3Z", "evidence_id": "EV-PDB-5B3Z-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "5B3Z", "doi": "10.1038/srep34654", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5B3Z" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of hPin1 WW domain (5-39) fused with maltose-binding protein" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "branched: alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose" ], "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 NIMA-interacting 1,Maltose-binding periplasmic protein (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5BMY", "evidence_id": "EV-PDB-5BMY-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.001 }, "provenance": { "deposit_id": "5BMY", "doi": "10.1038/srep34654", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5BMY" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of hPin1 WW domain (5-21) fused with maltose-binding protein" }, { "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": 6.6, "salt_mM": null, "temperature_c": 25.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5GPH", "evidence_id": "EV-PDB-5GPH-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "5GPH", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5GPH" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Solution structure of the Pin1-PPIase (S138A) mutant" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PE4", "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": -196.05 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5UY9", "evidence_id": "EV-PDB-5UY9-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.85 }, "provenance": { "deposit_id": "5UY9", "doi": "10.1038/onc.2017.137", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5UY9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Prolyl isomerase Pin1 R14A mutant bound with Brd4 peptide" }, { "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": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5VTI", "evidence_id": "EV-PDB-5VTI-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "5VTI", "doi": "10.1002/cbic.201700580", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5VTI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of Pin1 WW Domain Sequence 3 with [R,R]-ACPC Loop Substitution" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5VTJ", "evidence_id": "EV-PDB-5VTJ-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5 }, "provenance": { "deposit_id": "5VTJ", "doi": "10.1002/cbic.201700580", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5VTJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of Pin1 WW Domain Sequence 1 Substituted with [S,S]ACPC" }, { "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": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5VTK", "evidence_id": "EV-PDB-5VTK-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.99 }, "provenance": { "deposit_id": "5VTK", "doi": "10.1002/cbic.201700580", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5VTK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of Pin1 WW Domain Variant 1 with beta3-Ser Loop Substitution" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "TAS" ], "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 NIMA-interacting 1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6DUN", "evidence_id": "EV-PDB-6DUN-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.59 }, "provenance": { "deposit_id": "6DUN", "doi": "10.1038/s41467-018-05402-2", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6DUN" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure Analysis of PIN1" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.2, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6O33", "evidence_id": "EV-PDB-6O33-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.74 }, "provenance": { "deposit_id": "6O33", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6O33" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure Analysis of PIN1" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2PE", "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": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6O34", "evidence_id": "EV-PDB-6O34-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.57 }, "provenance": { "deposit_id": "6O34", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6O34" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure Analysis of PIN1" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.0, "salt_mM": null, "temperature_c": 4.0 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6SVC", "evidence_id": "EV-PDB-6SVC-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "6SVC", "doi": "10.1002/anie.202008734", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6SVC" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Protein allostery of the WW domain at atomic resolution: apo structure" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.0, "salt_mM": null, "temperature_c": 4.0 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6SVE", "evidence_id": "EV-PDB-6SVE-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "6SVE", "doi": "10.1002/anie.202008734", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6SVE" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Protein allostery of the WW domain at atomic resolution: pCdc25C bound structure" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.0, "salt_mM": null, "temperature_c": 4.0 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6SVH", "evidence_id": "EV-PDB-6SVH-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "6SVH", "doi": "10.1002/anie.202008734", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6SVH" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Protein allostery of the WW domain at atomic resolution: FFpSPR bound structure" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PG4", "QT7", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6VAJ", "evidence_id": "EV-PDB-6VAJ-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.42 }, "provenance": { "deposit_id": "6VAJ", "doi": "10.1038/s41589-021-00786-7", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6VAJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure Analysis of human PIN1" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "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 NIMA-interacting 1 (chains P)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7AOG", "evidence_id": "EV-PDB-7AOG-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5 }, "provenance": { "deposit_id": "7AOG", "doi": "10.1021/jacs.1c03035", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7AOG" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "14-3-3 sigma in complex with Pin1 binding site pS72" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "S6B" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.1, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains P)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7AXN", "evidence_id": "EV-PDB-7AXN-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.4 }, "provenance": { "deposit_id": "7AXN", "doi": "10.1021/jacs.1c03035", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7AXN" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "14-3-3 sigma in complex with Pin1 binding site pS72 and covalently bound TCF521-026" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "S9E" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.1, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains P)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7AYF", "evidence_id": "EV-PDB-7AYF-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.752 }, "provenance": { "deposit_id": "7AYF", "doi": "10.1021/jacs.1c03035", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7AYF" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "14-3-3 sigma with Pin1 binding site pS72 and covalently bound TCF521-110" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "SGH" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.1, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains P)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7AZ1", "evidence_id": "EV-PDB-7AZ1-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.15 }, "provenance": { "deposit_id": "7AZ1", "doi": "10.1021/jacs.1c03035", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7AZ1" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1013" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "MG", "TJB" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.1, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains P)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7BDP", "evidence_id": "EV-PDB-7BDP-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.75 }, "provenance": { "deposit_id": "7BDP", "doi": "10.1021/jacs.1c03035", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7BDP" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1017" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "MG", "TJ8" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.1, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains P)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7BDT", "evidence_id": "EV-PDB-7BDT-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.75 }, "provenance": { "deposit_id": "7BDT", "doi": "10.1021/jacs.1c03035", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7BDT" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1009" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "MG", "TJK" ], "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 NIMA-interacting 1 (chains P)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7BDY", "evidence_id": "EV-PDB-7BDY-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.801 }, "provenance": { "deposit_id": "7BDY", "doi": "10.1021/jacs.1c03035", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7BDY" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "14-3-3 sigma with Pin1 binding site pS72 and covalently bound PC2068B" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "TKH" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.1, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains P)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7BFW", "evidence_id": "EV-PDB-7BFW-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "7BFW", "doi": "10.1021/jacs.1c03035", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7BFW" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "14-3-3 sigma with Pin1 binding site pS72 and covalently bound PC2068A" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "TKK" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.1, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains P)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7BG3", "evidence_id": "EV-PDB-7BG3-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.4 }, "provenance": { "deposit_id": "7BG3", "doi": "10.1021/jacs.1c03035", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7BG3" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "14-3-3 sigma with Pin1 binding site pS72 and covalently bound PC2046" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "TL8" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.1, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains P)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7BGQ", "evidence_id": "EV-PDB-7BGQ-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.75 }, "provenance": { "deposit_id": "7BGQ", "doi": "10.1021/jacs.1c03035", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7BGQ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1019" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "TQK" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.1, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains P)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7BGR", "evidence_id": "EV-PDB-7BGR-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "7BGR", "doi": "10.1021/jacs.1c03035", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7BGR" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1016" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "NA", "TLQ" ], "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 NIMA-interacting 1 (chains P)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7BGW", "evidence_id": "EV-PDB-7BGW-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "7BGW", "doi": "10.1021/jacs.1c03035", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7BGW" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1011" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "MG", "TLK" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.1, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains P)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7BGV", "evidence_id": "EV-PDB-7BGV-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.683 }, "provenance": { "deposit_id": "7BGV", "doi": "10.1021/jacs.1c03035", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7BGV" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1012" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "SFW" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.1, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains P)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7AZ2", "evidence_id": "EV-PDB-7AZ2-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.081 }, "provenance": { "deposit_id": "7AZ2", "doi": "10.1021/jacs.1c03035", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7AZ2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1014" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "J2C", "PE8" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.4, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7EFJ", "evidence_id": "EV-PDB-7EFJ-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.992 }, "provenance": { "deposit_id": "7EFJ", "doi": "10.1021/acs.jmedchem.1c01686", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7EFJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure Analysis of human PIN1" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "J50", "PE8" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.4, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7EKV", "evidence_id": "EV-PDB-7EKV-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.95 }, "provenance": { "deposit_id": "7EKV", "doi": "10.1021/acs.jmedchem.1c01686", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7EKV" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of human Pin1 complexed with a covalent inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "0BF", "P33" ], "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 NIMA-interacting 1 (chains A,B,C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7F0M", "evidence_id": "EV-PDB-7F0M-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "7F0M", "doi": "10.1021/acs.jmedchem.1c01686", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7F0M" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of human Pin1 complexed with a potent covalent inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "P5N" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.1, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains P)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7NIF", "evidence_id": "EV-PDB-7NIF-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.71 }, "provenance": { "deposit_id": "7NIF", "doi": "10.1021/jacs.1c03035", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7NIF" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "14-3-3 sigma with Pin1 binding site pS72 and covalently bound TCF521-011" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "UFH" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.1, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains P)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7NIG", "evidence_id": "EV-PDB-7NIG-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "7NIG", "doi": "10.1021/jacs.1c03035", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7NIG" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1008" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "UG5" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.1, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains P)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7NJ6", "evidence_id": "EV-PDB-7NJ6-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.59 }, "provenance": { "deposit_id": "7NJ6", "doi": "10.1021/jacs.1c03035", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7NJ6" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1005" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "JFS", "MG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.1, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains P)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7NJ8", "evidence_id": "EV-PDB-7NJ8-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "7NJ8", "doi": "10.1021/jacs.1c03035", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7NJ8" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1007" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CL", "UG2" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.1, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains P)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7NJA", "evidence_id": "EV-PDB-7NJA-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.75 }, "provenance": { "deposit_id": "7NJA", "doi": "10.1021/jacs.1c03035", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7NJA" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1006" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "PEG", "UPQ" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.1, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains P)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7NRK", "evidence_id": "EV-PDB-7NRK-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.75 }, "provenance": { "deposit_id": "7NRK", "doi": "10.1021/jacs.1c03035", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7NRK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1002F1" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "0AW", "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 NIMA-interacting 1 (chains P)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7OQ9", "evidence_id": "EV-PDB-7OQ9-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "7OQ9", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7OQ9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Ternary complex of 14-3-3 sigma, Pin1pS72 phosphopeptide, and WQ136" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "09W", "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 NIMA-interacting 1 (chains P)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7OQA", "evidence_id": "EV-PDB-7OQA-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "7OQA", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7OQA" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Ternary complex of 14-3-3 sigma, Pin1pS72 phosphopeptide, and WQ162" }, { "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 NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7SA5", "evidence_id": "EV-PDB-7SA5-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "7SA5", "doi": "10.1021/jacs.1c06289", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7SA5" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Two-state solution NMR structure of Apo Pin1" }, { "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": 6.66, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8SG2", "evidence_id": "EV-PDB-8SG2-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "8SG2", "doi": "10.7554/eLife.92884", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8SG2" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "BIVALENT INTERACTIONS OF PIN1 WITH THE C-TERMINAL TAIL OF PKC" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "DTT", "P33", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8VJF", "evidence_id": "EV-PDB-8VJF-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "8VJF", "doi": "10.1073/pnas.2403330121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8VJF" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human R14A Pin1 covalently bound to inhibitor 158D9" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1ACH", "DTT", "P33", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.4, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8VJG", "evidence_id": "EV-PDB-8VJG-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.58 }, "provenance": { "deposit_id": "8VJG", "doi": "10.1073/pnas.2403330121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8VJG" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human R14A Pin1 covalently bound to inhibitor 164A10" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AEL", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8VZ3", "evidence_id": "EV-PDB-8VZ3-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.65 }, "provenance": { "deposit_id": "8VZ3", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8VZ3" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of human PIN1 covalently derivatized with SuFEx compound" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AET", "PE4", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8W11", "evidence_id": "EV-PDB-8W11-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "8W11", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8W11" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of human PIN1 covalently derivatized with SuFEx compound" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1D9U" ], "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 NIMA-interacting 1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9INO", "evidence_id": "EV-PDB-9INO-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.13 }, "provenance": { "deposit_id": "9INO", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9INO" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1D9W", "CIT" ], "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 NIMA-interacting 1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9INQ", "evidence_id": "EV-PDB-9INQ-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.17 }, "provenance": { "deposit_id": "9INQ", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9INQ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of human Pin1 catalytic domain in complex with a covalent inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1D9K", "PE3", "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": 3.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9INR", "evidence_id": "EV-PDB-9INR-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.93 }, "provenance": { "deposit_id": "9INR", "doi": "10.1021/acs.jmedchem.4c01412", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9INR" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of PIN1 in complex with inhibitor C3" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "P3G" ], "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 NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9IT1", "evidence_id": "EV-PDB-9IT1-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "9IT1", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9IT1" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of Pin1 using laue diffraction" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "1PG", "A1EBR" ], "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 NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9JF6", "evidence_id": "EV-PDB-9JF6-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.96 }, "provenance": { "deposit_id": "9JF6", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9JF6" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of human Pin1 in complex with a covalent inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EBS", "CIT" ], "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 NIMA-interacting 1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9JFH", "evidence_id": "EV-PDB-9JFH-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.56 }, "provenance": { "deposit_id": "9JFH", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9JFH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of human Pin1 catalytic domain in complex with a covalent inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1D9T" ], "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 NIMA-interacting 1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9JJS", "evidence_id": "EV-PDB-9JJS-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.52 }, "provenance": { "deposit_id": "9JJS", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9JJS" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of human Pin1 catalytic domain in complex with a covalent inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1ECA" ], "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 NIMA-interacting 1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9JJZ", "evidence_id": "EV-PDB-9JJZ-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.61 }, "provenance": { "deposit_id": "9JJZ", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9JJZ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of human Pin1 catalytic domain in complex with a covalent inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EDZ", "CL", "P33", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9JYP", "evidence_id": "EV-PDB-9JYP-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "9JYP", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9JYP" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 3 complex" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1ED0", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9JYR", "evidence_id": "EV-PDB-9JYR-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.65 }, "provenance": { "deposit_id": "9JYR", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9JYR" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 4 complex" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1ED1", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9JYS", "evidence_id": "EV-PDB-9JYS-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.75 }, "provenance": { "deposit_id": "9JYS", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9JYS" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 5 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1ED5", "PE4", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9JZ4", "evidence_id": "EV-PDB-9JZ4-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.82 }, "provenance": { "deposit_id": "9JZ4", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9JZ4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 9 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1ED8", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9JZG", "evidence_id": "EV-PDB-9JZG-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.76 }, "provenance": { "deposit_id": "9JZG", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9JZG" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 12 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1ED9", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9JZU", "evidence_id": "EV-PDB-9JZU-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.68 }, "provenance": { "deposit_id": "9JZU", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9JZU" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 14 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EEA", "CL", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9JZV", "evidence_id": "EV-PDB-9JZV-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "9JZV", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9JZV" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 15 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AT6", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9JZS", "evidence_id": "EV-PDB-9JZS-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.91 }, "provenance": { "deposit_id": "9JZS", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9JZS" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 13 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1ED7", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9JZ6", "evidence_id": "EV-PDB-9JZ6-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.65 }, "provenance": { "deposit_id": "9JZ6", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9JZ6" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 11 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1ED4", "CL", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9JZ3", "evidence_id": "EV-PDB-9JZ3-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.98 }, "provenance": { "deposit_id": "9JZ3", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9JZ3" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 8 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1ED3", "CL", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9JZ2", "evidence_id": "EV-PDB-9JZ2-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.55 }, "provenance": { "deposit_id": "9JZ2", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9JZ2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 7 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1ED2", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9JYV", "evidence_id": "EV-PDB-9JYV-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "9JYV", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9JYV" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 6 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EDX", "CL", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9JYT", "evidence_id": "EV-PDB-9JYT-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.85 }, "provenance": { "deposit_id": "9JYT", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9JYT" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 1 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EDY", "CL", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9JYO", "evidence_id": "EV-PDB-9JYO-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "9JYO", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9JYO" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the Pin1 and fragment 2 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1D9X", "CIT" ], "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 NIMA-interacting 1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9INP", "evidence_id": "EV-PDB-9INP-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.57 }, "provenance": { "deposit_id": "9INP", "doi": "10.1021/acsmedchemlett.4c00477", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9INP" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1D9T" ], "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 NIMA-interacting 1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9INN", "evidence_id": "EV-PDB-9INN-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.08 }, "provenance": { "deposit_id": "9INN", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9INN" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain complexed with a covalent inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AEM", "PE4", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8VZ5", "evidence_id": "EV-PDB-8VZ5-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.95 }, "provenance": { "deposit_id": "8VZ5", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8VZ5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of human PIN1 covalently derivatized with SuFEx compound" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "DTT", "P33", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8VJE", "evidence_id": "EV-PDB-8VJE-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "8VJE", "doi": "10.1073/pnas.2403330121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8VJE" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human R14A Pin1 covalently bound to inhibitor 158F10" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "P33", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.9, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8VJD", "evidence_id": "EV-PDB-8VJD-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.57 }, "provenance": { "deposit_id": "8VJD", "doi": "10.1073/pnas.2403330121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8VJD" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human R14A Pin1 covalently bound to inhibitor 158F10 in P21 21 21 space group" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FSC", "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 NIMA-interacting 1 (chains B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8C3C", "evidence_id": "EV-PDB-8C3C-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "8C3C", "doi": "10.1039/d3sc01732j", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8C3C" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "14-3-3 sigma with Pin1 binding site pS72 and bound Fusicoccin A" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "MG", "T85" ], "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 NIMA-interacting 1 (chains P)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8C2G", "evidence_id": "EV-PDB-8C2G-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "8C2G", "doi": "10.1039/d3sc01732j", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8C2G" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "14-3-3 sigma with Pin1 binding site pS72 and covalently bound CV1040" }, { "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 NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7SUR", "evidence_id": "EV-PDB-7SUR-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "7SUR", "doi": "10.1038/s41467-022-32340-x", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7SUR" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Two-state solution NMR structure of Pin1 bound to peptide pCDC25c" }, { "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 NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7SUQ", "evidence_id": "EV-PDB-7SUQ-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "7SUQ", "doi": "10.1038/s41467-022-32340-x", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7SUQ" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Two-state solution NMR structure of Pin1 bound to peptide FFpSPR" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL", "MG", "PEG", "UPK" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.1, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains P)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7NRL", "evidence_id": "EV-PDB-7NRL-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "7NRL", "doi": "10.1021/jacs.1c03035", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7NRL" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1032" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "J3X" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.4, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7EFX", "evidence_id": "EV-PDB-7EFX-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.41 }, "provenance": { "deposit_id": "7EFX", "doi": "10.1021/acs.jmedchem.1c01686", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7EFX" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of human PIN1 complexed with covalent inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EE3", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KE5", "evidence_id": "EV-PDB-9KE5-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.05 }, "provenance": { "deposit_id": "9KE5", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KE5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 16 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EHF", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KXE", "evidence_id": "EV-PDB-9KXE-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.61 }, "provenance": { "deposit_id": "9KXE", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KXE" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 38 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EHG", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KXF", "evidence_id": "EV-PDB-9KXF-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.71 }, "provenance": { "deposit_id": "9KXF", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KXF" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 39 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EHO", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KXH", "evidence_id": "EV-PDB-9KXH-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.68 }, "provenance": { "deposit_id": "9KXH", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KXH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 42 complex" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EHY", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KXI", "evidence_id": "EV-PDB-9KXI-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.77 }, "provenance": { "deposit_id": "9KXI", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KXI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 31 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EFQ", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KXK", "evidence_id": "EV-PDB-9KXK-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.96 }, "provenance": { "deposit_id": "9KXK", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KXK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 54 complex" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EHQ", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KXL", "evidence_id": "EV-PDB-9KXL-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "9KXL", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KXL" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 56 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EHR", "CL", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KXN", "evidence_id": "EV-PDB-9KXN-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.67 }, "provenance": { "deposit_id": "9KXN", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KXN" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 58 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PE8", "SO4", "UUY" ], "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 NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KXO", "evidence_id": "EV-PDB-9KXO-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.75 }, "provenance": { "deposit_id": "9KXO", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KXO" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 21 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EHP", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KXQ", "evidence_id": "EV-PDB-9KXQ-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.69 }, "provenance": { "deposit_id": "9KXQ", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KXQ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 55 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1ERA", "A1EX9" ], "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 NIMA-interacting 1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9WNN", "evidence_id": "EV-PDB-9WNN-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.12 }, "provenance": { "deposit_id": "9WNN", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9WNN" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1ERA", "A1EYA" ], "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 NIMA-interacting 1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9WN5", "evidence_id": "EV-PDB-9WN5-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.47 }, "provenance": { "deposit_id": "9WN5", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9WN5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PE8", "QCF", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9V92", "evidence_id": "EV-PDB-9V92-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.97 }, "provenance": { "deposit_id": "9V92", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9V92" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the Pin1 and Frag61 complex" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1ERA", "A1ERK" ], "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 NIMA-interacting 1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9V6W", "evidence_id": "EV-PDB-9V6W-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "9V6W", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9V6W" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1ERA", "A1ERF" ], "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 NIMA-interacting 1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9V6P", "evidence_id": "EV-PDB-9V6P-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.99 }, "provenance": { "deposit_id": "9V6P", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9V6P" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1ERA", "A1ERB" ], "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 NIMA-interacting 1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9V6I", "evidence_id": "EV-PDB-9V6I-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.46 }, "provenance": { "deposit_id": "9V6I", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9V6I" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1ERA", "A1ERC" ], "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 NIMA-interacting 1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9V6G", "evidence_id": "EV-PDB-9V6G-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "9V6G", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9V6G" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9RPU", "evidence_id": "EV-PDB-9RPU-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "9RPU", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9RPU" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "PIN1 WW Domain Binding Mode with SPY-tide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9RPN", "evidence_id": "EV-PDB-9RPN-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "9RPN", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9RPN" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "PIN1 WW Domain Binding Mode with LYR-tide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EHB", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KXP", "evidence_id": "EV-PDB-9KXP-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.81 }, "provenance": { "deposit_id": "9KXP", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KXP" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 33 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1ERZ", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KXM", "evidence_id": "EV-PDB-9KXM-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.64 }, "provenance": { "deposit_id": "9KXM", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KXM" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 57 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EVL", "PE4", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KXJ", "evidence_id": "EV-PDB-9KXJ-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.57 }, "provenance": { "deposit_id": "9KXJ", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KXJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 53 complex" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CL", "M4T", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KXG", "evidence_id": "EV-PDB-9KXG-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.58 }, "provenance": { "deposit_id": "9KXG", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KXG" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 41 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "53E", "CL", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KXD", "evidence_id": "EV-PDB-9KXD-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "9KXD", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KXD" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 37 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EHE", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KXC", "evidence_id": "EV-PDB-9KXC-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.53 }, "provenance": { "deposit_id": "9KXC", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KXC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 36 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EHD", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KX9", "evidence_id": "EV-PDB-9KX9-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.62 }, "provenance": { "deposit_id": "9KX9", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KX9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 35 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EHC", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KX7", "evidence_id": "EV-PDB-9KX7-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.53 }, "provenance": { "deposit_id": "9KX7", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KX7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 34 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EHL", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KX1", "evidence_id": "EV-PDB-9KX1-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "9KX1", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KX1" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 17 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EFQ", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KGO", "evidence_id": "EV-PDB-9KGO-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.62 }, "provenance": { "deposit_id": "9KGO", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KGO" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 19 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EFP", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KG9", "evidence_id": "EV-PDB-9KG9-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.55 }, "provenance": { "deposit_id": "9KG9", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KG9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 18 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EFO", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KFZ", "evidence_id": "EV-PDB-9KFZ-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.43 }, "provenance": { "deposit_id": "9KFZ", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KFZ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 59 complex" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EFG", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KFH", "evidence_id": "EV-PDB-9KFH-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.59 }, "provenance": { "deposit_id": "9KFH", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KFH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 52 complex" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1AYA", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KFC", "evidence_id": "EV-PDB-9KFC-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.56 }, "provenance": { "deposit_id": "9KFC", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KFC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 40 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EFF", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KF0", "evidence_id": "EV-PDB-9KF0-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.82 }, "provenance": { "deposit_id": "9KF0", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KF0" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 32 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "DBJ", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KEZ", "evidence_id": "EV-PDB-9KEZ-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.95 }, "provenance": { "deposit_id": "9KEZ", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KEZ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 31 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EFE", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KEY", "evidence_id": "EV-PDB-9KEY-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.49 }, "provenance": { "deposit_id": "9KEY", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KEY" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 30 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EFD", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KEW", "evidence_id": "EV-PDB-9KEW-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "9KEW", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KEW" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 29 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EFC", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KES", "evidence_id": "EV-PDB-9KES-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.62 }, "provenance": { "deposit_id": "9KES", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KES" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 28 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EFB", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KEQ", "evidence_id": "EV-PDB-9KEQ-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.53 }, "provenance": { "deposit_id": "9KEQ", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KEQ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 27 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EFA", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KEL", "evidence_id": "EV-PDB-9KEL-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.96 }, "provenance": { "deposit_id": "9KEL", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KEL" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 26 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EE6", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KEC", "evidence_id": "EV-PDB-9KEC-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.68 }, "provenance": { "deposit_id": "9KEC", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KEC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 25 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EE8", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KEB", "evidence_id": "EV-PDB-9KEB-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.65 }, "provenance": { "deposit_id": "9KEB", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KEB" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 24 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1BDV", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KE9", "evidence_id": "EV-PDB-9KE9-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.25 }, "provenance": { "deposit_id": "9KE9", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KE9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 22 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EE7", "PE8", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KE7", "evidence_id": "EV-PDB-9KE7-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.68 }, "provenance": { "deposit_id": "9KE7", "doi": "10.1016/j.ejmech.2025.118048", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KE7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the PIN1 and fragment 23 complex." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 6.6, "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=11559", "evidence_id": "EV-BMRB-11559", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so.", "rule": "pin1-nmr-shifts-native", "state_id": "Pin1-native", "who": "rule:pin1-nmr-shifts-native" } ], "molecule_id": "Q13526", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr11559", "doi": "10.13018/BMR11559", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=11559" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Solution structure of the peptidyl prolyl cis-trans isomerase domain of human Pin1 with sulfate ion" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 6.6, "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=11560", "evidence_id": "EV-BMRB-11560", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so.", "rule": "pin1-nmr-shifts-native", "state_id": "Pin1-native", "who": "rule:pin1-nmr-shifts-native" } ], "molecule_id": "Q13526", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr11560", "doi": "10.13018/BMR11560", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=11560" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Solution structure of the peptidyl prolyl cis-trans isomerase domain of C113D mutant with sulfate ion" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 6.6, "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=11587", "evidence_id": "EV-BMRB-11587", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so.", "rule": "pin1-nmr-shifts-native", "state_id": "Pin1-native", "who": "rule:pin1-nmr-shifts-native" } ], "molecule_id": "Q13526", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr11587", "doi": "10.13018/BMR11587", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=11587" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Solution structure of Human Pin1 PPIase mutant C113A" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 6.6, "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=11588", "evidence_id": "EV-BMRB-11588", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so.", "rule": "pin1-nmr-shifts-native", "state_id": "Pin1-native", "who": "rule:pin1-nmr-shifts-native" } ], "molecule_id": "Q13526", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr11588", "doi": "10.13018/BMR11588", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=11588" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Solution structure of Human Pin1 PPIase C113S mutant" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 6.2, "salt_mM": null, "temperature_c": 4.85 }, "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=16070", "evidence_id": "EV-BMRB-16070", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so.", "rule": "pin1-nmr-shifts-native", "state_id": "Pin1-native", "who": "rule:pin1-nmr-shifts-native" } ], "molecule_id": "Q13526", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr16070", "doi": "10.13018/BMR16070", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=16070" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Apo Pin1 WW Domain" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 6.2, "salt_mM": null, "temperature_c": 4.85 }, "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=16088", "evidence_id": "EV-BMRB-16088", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so.", "rule": "pin1-nmr-shifts-native", "state_id": "Pin1-native", "who": "rule:pin1-nmr-shifts-native" } ], "molecule_id": "Q13526", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr16088", "doi": "10.13018/BMR16088", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=16088" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Apo Pin1 WW Domain" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 7.0, "salt_mM": null, "temperature_c": 11.85 }, "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=17545", "evidence_id": "EV-BMRB-17545", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so.", "rule": "pin1-nmr-shifts-native", "state_id": "Pin1-native", "who": "rule:pin1-nmr-shifts-native" } ], "molecule_id": "Q13526", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr17545", "doi": "10.13018/BMR17545", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=17545" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Structure of the first domain of human PIN1 in complex with a human Smad3 derived peptide." }, { "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": 17.85 }, "construct": { "description": "BMRB data: 1H chemical shifts, 13C chemical shifts, 15N chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=19258", "evidence_id": "EV-BMRB-19258", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so.", "rule": "pin1-nmr-shifts-native", "state_id": "Pin1-native", "who": "rule:pin1-nmr-shifts-native" } ], "molecule_id": "Q13526", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr19258", "doi": "10.13018/BMR19258", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=19258" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Pin1 WW domain" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 7.5, "salt_mM": null, "temperature_c": 17.85 }, "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=19259", "evidence_id": "EV-BMRB-19259", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so.", "rule": "pin1-nmr-shifts-native", "state_id": "Pin1-native", "who": "rule:pin1-nmr-shifts-native" } ], "molecule_id": "Q13526", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr19259", "doi": "10.13018/BMR19259", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=19259" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Pin1 WW domain phospho-mimic S16E" }, { "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": 11.85 }, "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=19291", "evidence_id": "EV-BMRB-19291", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so.", "rule": "pin1-nmr-shifts-native", "state_id": "Pin1-native", "who": "rule:pin1-nmr-shifts-native" } ], "molecule_id": "Q13526", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr19291", "doi": "10.13018/BMR19291", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=19291" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "NMR solution structure of Pin1 WW domain mutant 5-1" }, { "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": 11.85 }, "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=19292", "evidence_id": "EV-BMRB-19292", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so.", "rule": "pin1-nmr-shifts-native", "state_id": "Pin1-native", "who": "rule:pin1-nmr-shifts-native" } ], "molecule_id": "Q13526", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr19292", "doi": "10.13018/BMR19292", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=19292" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "NMR solution structure of Pin1 WW domain mutant 5-1g" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 7.0, "salt_mM": null, "temperature_c": 11.85 }, "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=25569", "evidence_id": "EV-BMRB-25569", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so.", "rule": "pin1-nmr-shifts-native", "state_id": "Pin1-native", "who": "rule:pin1-nmr-shifts-native" } ], "molecule_id": "Q13526", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr25569", "doi": "10.13018/BMR25569", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=25569" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "PIN1 WW domain in complex with a phosphorylated CPEB1 derived peptide" }, { "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=27579", "evidence_id": "EV-BMRB-27579", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so.", "rule": "pin1-nmr-shifts-native", "state_id": "Pin1-native", "who": "rule:pin1-nmr-shifts-native" } ], "molecule_id": "Q13526", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr27579", "doi": "10.13018/BMR27579", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=27579" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Full Length Apo Pin1" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 6.66, "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=31080", "evidence_id": "EV-BMRB-31080", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so.", "rule": "pin1-nmr-shifts-native", "state_id": "Pin1-native", "who": "rule:pin1-nmr-shifts-native" } ], "molecule_id": "Q13526", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr31080", "doi": "10.13018/BMR31080", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=31080" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "BIVALENT INTERACTIONS OF PIN1 WITH THE C-TERMINAL TAIL OF PKC" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 6.0, "salt_mM": null, "temperature_c": 4.0 }, "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=34432", "evidence_id": "EV-BMRB-34432", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so.", "rule": "pin1-nmr-shifts-native", "state_id": "Pin1-native", "who": "rule:pin1-nmr-shifts-native" } ], "molecule_id": "Q13526", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr34432", "doi": "10.13018/BMR34432", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=34432" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Protein allostery of the WW domain at atomic resolution: apo structure" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 6.0, "salt_mM": null, "temperature_c": 4.0 }, "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=34433", "evidence_id": "EV-BMRB-34433", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so.", "rule": "pin1-nmr-shifts-native", "state_id": "Pin1-native", "who": "rule:pin1-nmr-shifts-native" } ], "molecule_id": "Q13526", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr34433", "doi": "10.13018/BMR34433", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=34433" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Protein allostery of the WW domain at atomic resolution" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 6.0, "salt_mM": null, "temperature_c": 4.0 }, "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=34434", "evidence_id": "EV-BMRB-34434", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so.", "rule": "pin1-nmr-shifts-native", "state_id": "Pin1-native", "who": "rule:pin1-nmr-shifts-native" } ], "molecule_id": "Q13526", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr34434", "doi": "10.13018/BMR34434", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=34434" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Protein allostery of the WW domain at atomic resolution" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 7.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "BMRB data: 13C chemical shifts, 15N chemical shifts, 1H chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=35004", "evidence_id": "EV-BMRB-35004", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so.", "rule": "pin1-nmr-shifts-native", "state_id": "Pin1-native", "who": "rule:pin1-nmr-shifts-native" } ], "molecule_id": "Q13526", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr35004", "doi": "10.13018/BMR35004", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=35004" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "PIN1 WW Domain Binding Mode with LYR-tide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 7.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "BMRB data: 13C chemical shifts, 15N chemical shifts, 1H chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=35005", "evidence_id": "EV-BMRB-35005", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so.", "rule": "pin1-nmr-shifts-native", "state_id": "Pin1-native", "who": "rule:pin1-nmr-shifts-native" } ], "molecule_id": "Q13526", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr35005", "doi": "10.13018/BMR35005", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=35005" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "PIN1 WW Domain Binding Mode with SPY-tide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 6.6, "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=36014", "evidence_id": "EV-BMRB-36014", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so.", "rule": "pin1-nmr-shifts-native", "state_id": "Pin1-native", "who": "rule:pin1-nmr-shifts-native" } ], "molecule_id": "Q13526", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr36014", "doi": "10.13018/BMR36014", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=36014" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Solution structure of the Pin1-PPIase (S138A) mutant" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": null, "salt_mM": null, "temperature_c": 11.85 }, "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=4882", "evidence_id": "EV-BMRB-4882", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so.", "rule": "pin1-nmr-shifts-native", "state_id": "Pin1-native", "who": "rule:pin1-nmr-shifts-native" } ], "molecule_id": "Q13526", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr4882", "doi": "10.13018/BMR4882", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=4882" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "1H NMR Study on the Binding of Pin1 Trp-trp domain with Phosphothreonine Peptides" }, { "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=51034", "evidence_id": "EV-BMRB-51034", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so.", "rule": "pin1-nmr-shifts-native", "state_id": "Pin1-native", "who": "rule:pin1-nmr-shifts-native" } ], "molecule_id": "Q13526", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr51034", "doi": "10.13018/BMR51034", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=51034" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "WT Pin1 with pCDC25c ligand" }, { "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=51043", "evidence_id": "EV-BMRB-51043", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so.", "rule": "pin1-nmr-shifts-native", "state_id": "Pin1-native", "who": "rule:pin1-nmr-shifts-native" } ], "molecule_id": "Q13526", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr51043", "doi": "10.13018/BMR51043", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=51043" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "WT Pin1 with 5x FFpSPR ligand" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 6.2, "salt_mM": null, "temperature_c": 4.85 }, "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=5248", "evidence_id": "EV-BMRB-5248", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so.", "rule": "pin1-nmr-shifts-native", "state_id": "Pin1-native", "who": "rule:pin1-nmr-shifts-native" } ], "molecule_id": "Q13526", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr5248", "doi": "10.13018/BMR5248", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=5248" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "NMR Solution Structure of the Isolated Apo Pin1 WW Domain: Comparison to the X-Ray Crystal Structures of Pin 1" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 6.6, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "BMRB data: 1H chemical shifts, 13C chemical shifts, 15N chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=5305", "evidence_id": "EV-BMRB-5305", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so.", "rule": "pin1-nmr-shifts-native", "state_id": "Pin1-native", "who": "rule:pin1-nmr-shifts-native" } ], "molecule_id": "Q13526", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr5305", "doi": "10.13018/BMR5305", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=5305" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Backbone 1H, 13C, and 15N Chemical Shift Assignments for the peptidyl-prolyl cis-trans isomerase Pin1" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "DisProt annotations do not record sample conditions.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "residues 39-50; evidence: X-ray crystallography-based structural model with missing residue coordinates used in manual assertion", "labels": [] }, "data_format": null, "data_level": "reported", "data_link": "https://europepmc.org/article/MED/10932246", "evidence_id": "EV-DISPROT-DP02727r001", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "pin1-structures-native", "state_id": "Pin1-native", "who": "rule:pin1-structures-native" } ], "molecule_id": "Q13526", "observable": { "type": "disorder_region", "uncertainty": null, "unit": "residues", "value": 12 }, "provenance": { "deposit_id": "DP02727r001", "doi": null, "licence": "CC BY 4.0", "retrieved": "2026-10-19", "source": "DisProt", "url": "https://disprot.org/DP02727" }, "reader": null, "source_kind": "literature", "technique": "xray", "title": "DisProt DP02727: disorder, residues 39-50" }, { "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 1-163", "labels": [] }, "data_format": "mmCIF, PAE JSON", "data_level": "processed", "data_link": "https://alphafold.ebi.ac.uk/entry/Q13526", "evidence_id": "EV-AFDB-AF-Q13526-F1", "mappings": [ { "confidence": "low", "justification": "AlphaFold prediction of the native fold (prediction, not a measurement).", "rule": "pin1-af-native", "state_id": "Pin1-native", "who": "rule:pin1-af-native" } ], "molecule_id": "Q13526", "observable": { "type": "plddt", "uncertainty": null, "unit": "pLDDT", "value": 91.62 }, "provenance": { "deposit_id": "AF-Q13526-F1", "doi": null, "licence": "CC BY 4.0", "retrieved": "2026-10-19", "source": "AlphaFold DB", "url": "https://alphafold.ebi.ac.uk/entry/Q13526" }, "reader": null, "source_kind": "computed", "technique": "af_prediction", "title": "AlphaFold DB prediction AF-Q13526-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 1I6C; Amber Parm99", "labels": [] }, "data_format": "trajectory", "data_level": "processed", "data_link": "https://mmb.mddbr.eu/#/id/A00M7/overview", "evidence_id": "EV-MDDB-A00M7", "mappings": [ { "confidence": "low", "justification": "Simulation started from a native structure (prediction).", "rule": "pin1-md-native", "state_id": "Pin1-native", "who": "rule:pin1-md-native" } ], "molecule_id": "Q13526", "observable": { "type": "trajectory", "uncertainty": null, "unit": "ns", "value": 10.0 }, "provenance": { "deposit_id": "A00M7", "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/A00M7/overview" }, "reader": null, "source_kind": "computed", "technique": "md", "title": "MoDEL 1I6C" } ], "models": [ { "assumptions": null, "basis": "observed", "constraints_used": [ "EV-PDB-1PIN-1" ], "file": "models/Q13526/Pin1-native.cif", "format": "mmCIF", "model_id": "Pin1-native-cif", "molecule_id": "Q13526", "provenance": { "deposit_id": "1PIN", "doi": "10.1016/S0092-8674(00)80273-1", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://files.rcsb.org/download/1PIN.cif" }, "state_id": "Pin1-native" }, { "assumptions": null, "basis": "observed", "constraints_used": [ "EV-PDB-1PIN-1" ], "file": "models/Q13526/Pin1-native.pdb", "format": "PDB", "model_id": "Pin1-native-pdb", "molecule_id": "Q13526", "provenance": { "deposit_id": "1PIN", "doi": "10.1016/S0092-8674(00)80273-1", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://files.rcsb.org/download/1PIN.pdb" }, "state_id": "Pin1-native" } ], "molecule": { "components": [], "domains": [ { "end": 39, "name": "WW", "start": 5 }, { "end": 163, "name": "PpiC", "start": 52 } ], "gene": "PIN1", "identifiers": { "genbank": null, "isoform": null, "nakb": null, "pdb": [], "rfam": null, "rnacentral": null, "uniprot": "Q13526" }, "ligands": [], "modifications": [ { "kind": "ptm", "name": "Phosphoserine", "position": 43, "source": "UniProtKB" }, { "kind": "ptm", "name": "N6-acetyllysine", "position": 46, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphoserine; by DAPK1", "position": 71, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphoserine", "position": 108, "source": "UniProtKB" } ], "molecule_id": "Q13526", "molecule_type": "protein", "name": "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1", "organism": { "name": "Homo sapiens", "taxon_id": 9606 }, "provenance": { "deposit_id": "Q13526", "doi": null, "licence": "CC BY 4.0 (UniProt)", "retrieved": "2026-10-19", "source": "UniProtKB", "url": "https://www.uniprot.org/uniprotkb/Q13526/entry" }, "sequence": "MADEEKLPPGWEKRMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEKITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE", "sequence_length": 163 }, "molecule_id": "Q13526", "states": [ { "assumptions": [], "basis": "observed", "description": "WW and PPIase domains of Pin1, as in 1PIN. Inter-domain arrangements are not separated.", "family_label": null, "molecule_id": "Q13526", "name": "native fold", "parent_state": null, "population": null, "provenance": { "deposit_id": null, "doi": null, "licence": "Project licence (pending decision)", "retrieved": "2026-10-19", "source": "Conformome curation (Q13526.yaml)", "url": "https://github.com/matth55/conformome/blob/HEAD/curation/Q13526.yaml" }, "representative_model": "Pin1-native-cif", "secondary_structure": null, "state_id": "Pin1-native", "status": "draft" }, { "assumptions": [ "Treated as a single ensemble; residual structure and intermediates are not resolved.", "Defined by indirect measurements (denaturation, NMR of denatured samples, force spectroscopy); no model is exported." ], "basis": "inferred", "description": "Unfolded ensemble reached by denaturant, temperature or force. No observed structure.", "family_label": null, "molecule_id": "Q13526", "name": "unfolded", "parent_state": null, "population": null, "provenance": { "deposit_id": null, "doi": null, "licence": "Project licence (pending decision)", "retrieved": "2026-10-19", "source": "Conformome curation (Q13526.yaml)", "url": "https://github.com/matth55/conformome/blob/HEAD/curation/Q13526.yaml" }, "representative_model": null, "secondary_structure": null, "state_id": "Pin1-unfolded", "status": "draft" } ], "transitions": [] }