{ "conflicts": [], "coverage": { "cells": { "BPTI-native": { "af_prediction": 1, "md": 7, "neutron": 1, "nmr_shifts": 23, "nmr_structure": 11, "saxs_sans": 1, "xray": 116 }, "BPTI-unfolded": { "af_prediction": 0, "md": 0, "neutron": 0, "nmr_shifts": 0, "nmr_structure": 0, "saxs_sans": 0, "xray": 0 } }, "data_levels": { "BPTI-native": { "af_prediction": "processed", "md": "processed", "neutron": "processed", "nmr_shifts": "processed", "nmr_structure": "processed", "saxs_sans": "processed", "xray": "processed" }, "BPTI-unfolded": {} }, "single_method_states": [], "states": [ "BPTI-native", "BPTI-unfolded" ], "techniques": [ "xray", "neutron", "nmr_structure", "nmr_shifts", "saxs_sans", "af_prediction", "md" ], "unmapped_evidence": 9 }, "curation": { "as_of": "2026-10-19", "curator": "draft (unreviewed)", "file": "P00974.yaml", "status": "draft" }, "evidence": [ { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PO4" ], "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": -148.15 }, "construct": { "description": "BOVINE PANCREATIC TRYPSIN INHIBITOR (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BPI", "evidence_id": "EV-PDB-1BPI-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.09 }, "provenance": { "deposit_id": "1BPI", "doi": "10.1107/S0907444995008675", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BPI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "THE STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR AT 125K: DEFINITION OF CARBOXYL-TERMINAL RESIDUES GLYCINE-57 AND ALANINE-58" }, { "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": -153.15 }, "construct": { "description": "PANCREATIC TRYPSIN INHIBITOR (chains B,D,F)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1EJM", "evidence_id": "EV-PDB-1EJM-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.85 }, "provenance": { "deposit_id": "1EJM", "doi": "10.1006/jmbi.2000.3935", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1EJM" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF THE BPTI ALA16LEU MUTANT IN COMPLEX WITH BOVINE TRYPSIN" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4", "TRS" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.8, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains B,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1P2Q", "evidence_id": "EV-PDB-1P2Q-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "1P2Q", "doi": "10.1016/j.jmb.2003.08.059", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1P2Q" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin" }, { "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": 16.85 }, "construct": { "description": "PANCREATIC TRYPSIN INHIBITOR (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1QLQ", "evidence_id": "EV-PDB-1QLQ-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.42 }, "provenance": { "deposit_id": "1QLQ", "doi": "10.1006/JMBI.1999.3445", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1QLQ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Bovine Pancreatic Trypsin Inhibitor (BPTI) Mutant with Altered Binding Loop Sequence" }, { "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": 7.8, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains B,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1T8O", "evidence_id": "EV-PDB-1T8O-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "1T8O", "doi": "10.1016/j.jmb.2004.09.088", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1T8O" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF THE P1 TRP BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.6, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BOVINE PANCREATIC TRYPSIN INHIBITOR (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1UUA", "evidence_id": "EV-PDB-1UUA-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1UUA", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1UUA" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Solution structure of a truncated bovine pancreatic trypsin inhibitor, 3-58 BPTI." }, { "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": 4.6, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BOVINE PANCREATIC TRYPSIN INHIBITOR (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1UUB", "evidence_id": "EV-PDB-1UUB-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1UUB", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1UUB" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Solution structure of a truncated bovine pancreatic trypsin inhibitor mutant, 3-58 BPTI (K15R, R17A, R42S)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "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": null }, "construct": { "description": "Pancreatic trypsin inhibitor (chains B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1YLC", "evidence_id": "EV-PDB-1YLC-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "1YLC", "doi": "10.1016/j.jmb.2007.10.084", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1YLC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Trypsin/BPTI complex mutant" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "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": null }, "construct": { "description": "Pancreatic trypsin inhibitor (chains B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1YKT", "evidence_id": "EV-PDB-1YKT-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "1YKT", "doi": "10.1016/j.jmb.2007.10.084", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1YKT" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Trypsin/Bpti complex mutant" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "BOVINE PANCREATIC TRYPSIN INHIBITOR (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1TPA", "evidence_id": "EV-PDB-1TPA-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "1TPA", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1TPA" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS" }, { "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": 7.8, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains B,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1T8N", "evidence_id": "EV-PDB-1T8N-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.75 }, "provenance": { "deposit_id": "1T8N", "doi": "10.1016/j.jmb.2004.09.088", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1T8N" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF THE P1 THR BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX" }, { "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": 7.8, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains B,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1T8M", "evidence_id": "EV-PDB-1T8M-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "1T8M", "doi": "10.1016/j.jmb.2004.09.088", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1T8M" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF THE P1 HIS BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX" }, { "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": 7.8, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains B,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1T8L", "evidence_id": "EV-PDB-1T8L-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.75 }, "provenance": { "deposit_id": "1T8L", "doi": "10.1016/j.jmb.2004.09.088", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1T8L" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF THE P1 MET BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX" }, { "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": 7.8, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains B,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1T7C", "evidence_id": "EV-PDB-1T7C-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.85 }, "provenance": { "deposit_id": "1T7C", "doi": "10.1016/j.jmb.2004.09.088", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1T7C" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF THE P1 GLU BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "TRYPSIN INHIBITOR (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1PIT", "evidence_id": "EV-PDB-1PIT-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1PIT", "doi": "10.1016/0022-2836(92)90222-6", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1PIT" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "DETERMINATION OF A HIGH-QUALITY NUCLEAR MAGNETIC RESONANCE SOLUTION STRUCTURE OF THE BOVINE PANCREATIC TRYPSIN INHIBITOR AND COMPARISON WITH THREE CRYSTAL STRUCTURES" }, { "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": 7.8, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains B,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1P2O", "evidence_id": "EV-PDB-1P2O-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "1P2O", "doi": "10.1016/j.jmb.2003.08.059", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1P2O" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin" }, { "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": 7.8, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains B,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1P2N", "evidence_id": "EV-PDB-1P2N-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "1P2N", "doi": "10.1016/j.jmb.2003.08.059", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1P2N" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin" }, { "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": 7.8, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains B,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1P2M", "evidence_id": "EV-PDB-1P2M-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.75 }, "provenance": { "deposit_id": "1P2M", "doi": "10.1016/j.jmb.2003.08.059", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1P2M" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "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": "Pancreatic trypsin inhibitor (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1P2K", "evidence_id": "EV-PDB-1P2K-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "1P2K", "doi": "10.1016/j.jmb.2003.08.059", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1P2K" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "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": "Pancreatic trypsin inhibitor (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1P2J", "evidence_id": "EV-PDB-1P2J-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.35 }, "provenance": { "deposit_id": "1P2J", "doi": "10.1016/j.jmb.2003.08.059", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1P2J" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "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": "Pancreatic trypsin inhibitor (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1P2I", "evidence_id": "EV-PDB-1P2I-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.65 }, "provenance": { "deposit_id": "1P2I", "doi": "10.1016/j.jmb.2003.08.059", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1P2I" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin" }, { "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": 4.6, "salt_mM": null, "temperature_c": 35.85 }, "construct": { "description": "PANCREATIC TRYPSIN INHIBITOR (chains 5)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1OA6", "evidence_id": "EV-PDB-1OA6-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1OA6", "doi": "10.1110/PS.0242103", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1OA6" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "The solution structure of bovine pancreatic trypsin inhibitor at high pressure" }, { "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": 4.6, "salt_mM": null, "temperature_c": 35.85 }, "construct": { "description": "PANCREATIC TRYPSIN INHIBITOR (chains 5)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1OA5", "evidence_id": "EV-PDB-1OA5-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1OA5", "doi": "10.1110/PS.0242103", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1OA5" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "The solution structure of bovine pancreatic trypsin inhibitor at high pressure" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "BOVINE PANCREATIC TRYPSIN INHIBITOR (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1NAG", "evidence_id": "EV-PDB-1NAG-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "1NAG", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1NAG" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CREVICE-FORMING MUTANTS IN THE RIGID CORE OF BOVINE PANCREATIC TRYPSIN INHIBITOR: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A" }, { "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": 6.0, "salt_mM": null, "temperature_c": 19.85 }, "construct": { "description": "BASIC PANCREATIC TRYPSIN INHIBITOR (chains D,H)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1MTN", "evidence_id": "EV-PDB-1MTN-4", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.8 }, "provenance": { "deposit_id": "1MTN", "doi": "10.1002/(SICI)1099-1352(199701/02)10:1<26::AID-JMR351>3.0.CO;2-N", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1MTN" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "BOVINE ALPHA-CHYMOTRYPSIN:BPTI CRYSTALLIZATION" }, { "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": 2.9, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "PANCREATIC TRYPSIN INHIBITOR (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1LD6", "evidence_id": "EV-PDB-1LD6-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1LD6", "doi": "10.1016/S0022-2836(02)00620-4", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1LD6" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "STRUCTURE OF BPTI_8A 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": 3.1, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "PANCREATIC TRYPSIN INHIBITOR (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1LD5", "evidence_id": "EV-PDB-1LD5-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1LD5", "doi": "10.1016/S0022-2836(02)00620-4", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1LD5" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "STRUCTURE OF BPTI MUTANT A16V" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "EDO", "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": "PANCREATIC TRYPSIN INHIBITOR (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1K6U", "evidence_id": "EV-PDB-1K6U-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.0 }, "provenance": { "deposit_id": "1K6U", "doi": "10.1016/S0014-5793(01)03113-1", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1K6U" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of Cyclic Bovine Pancreatic Trypsin Inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "C55" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 3.0, "salt_mM": null, "temperature_c": 4.85 }, "construct": { "description": "Core Module II (chains B)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1K09", "evidence_id": "EV-PDB-1K09-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1K09", "doi": "10.1110/ps.4440102", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1K09" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Solution structure of BetaCore, A Designed Water Soluble Four-Stranded Antiparallel b-sheet Protein" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "C55" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 3.0, "salt_mM": null, "temperature_c": 4.85 }, "construct": { "description": "Core Module I (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1K09", "evidence_id": "EV-PDB-1K09-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1K09", "doi": "10.1110/ps.4440102", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1K09" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Solution structure of BetaCore, A Designed Water Soluble Four-Stranded Antiparallel b-sheet 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": 4.6, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "TRYPSIN INHIBITOR (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1JV9", "evidence_id": "EV-PDB-1JV9-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1JV9", "doi": "10.1021/bi011693e", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1JV9" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "NMR Structure of BPTI Mutant G37A" }, { "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": 4.6, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "TRYPSIN INHIBITOR (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1JV8", "evidence_id": "EV-PDB-1JV8-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1JV8", "doi": "10.1021/bi011693e", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1JV8" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "NMR Structure of BPTI Mutant G37A" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "EDO", "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": "PANCREATIC TRYPSIN INHIBITOR (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1G6X", "evidence_id": "EV-PDB-1G6X-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 0.86 }, "provenance": { "deposit_id": "1G6X", "doi": "10.1107/S0907444901003468", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1G6X" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "ULTRA HIGH RESOLUTION STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) MUTANT WITH ALTERED BINDING LOOP SEQUENCE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": 3.85 }, "construct": { "description": "PANCREATIC TRYPSIN INHIBITOR (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1FY8", "evidence_id": "EV-PDB-1FY8-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "1FY8", "doi": "10.1110/ps.44101", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1FY8" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF THE DELTAILE16VAL17 RAT ANIONIC TRYPSINOGEN-BPTI COMPLEX" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "BOVINE PANCREATIC TRYPSIN INHIBITOR (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1FAN", "evidence_id": "EV-PDB-1FAN-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "1FAN", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1FAN" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CREVICE-FORMING MUTANTS IN THE RIGID CORE OF BOVINE PANCREATIC TRYPSIN INHIBITOR: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "FUC", "GLC" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.6, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "PROTEIN (5L15) (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1FAK", "evidence_id": "EV-PDB-1FAK-4", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "1FAK", "doi": "10.1006/jmbi.1998.2452", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1FAK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "HUMAN TISSUE FACTOR COMPLEXED WITH COAGULATION FACTOR VIIA INHIBITED WITH A BPTI-MUTANT" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "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": "PANCREATIC TRYPSIN INHIBITOR (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1F7Z", "evidence_id": "EV-PDB-1F7Z-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.55 }, "provenance": { "deposit_id": "1F7Z", "doi": "10.1110/ps.44101", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1F7Z" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "RAT TRYPSINOGEN K15A COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA" ], "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": 3.85 }, "construct": { "description": "PANCREATIC TRYPSIN INHIBITOR (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1F5R", "evidence_id": "EV-PDB-1F5R-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.65 }, "provenance": { "deposit_id": "1F5R", "doi": "10.1110/ps.44101", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1F5R" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "RAT TRYPSINOGEN MUTANT COMPLEXED WITH BOVINE PANCREATIC TRYPSIN 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": 8.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "PANCREATIC TRYPSIN INHIBITOR (chains B,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1EAW", "evidence_id": "EV-PDB-1EAW-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.93 }, "provenance": { "deposit_id": "1EAW", "doi": "10.1074/JBC.M109830200", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1EAW" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the MTSP1 (matriptase)-BPTI (aprotinin) complex" }, { "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": 6.5, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "PANCREATIC TRYPSIN INHIBITOR (chains B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1D0D", "evidence_id": "EV-PDB-1D0D-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.62 }, "provenance": { "deposit_id": "1D0D", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1D0D" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF TICK ANTICOAGULANT PROTEIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA" ], "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": 3.85 }, "construct": { "description": "BOVINE PANCREATIC TRYPSIN INHIBITOR (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1CO7", "evidence_id": "EV-PDB-1CO7-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "1CO7", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1CO7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "R117H mutant rat anionic trypsin complexed with bovine pancreatic trypsin inhibitor (BPTI)" }, { "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": 21.85 }, "construct": { "description": "BPTI (chains D,I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1CBW", "evidence_id": "EV-PDB-1CBW-4", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.6 }, "provenance": { "deposit_id": "1CBW", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1CBW" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "BOVINE CHYMOTRYPSIN COMPLEXED TO BPTI" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": 19.85 }, "construct": { "description": "PROTEIN (BOVINE PANCREATIC TRYPSIN INHIBITOR) (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BZX", "evidence_id": "EV-PDB-1BZX-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "1BZX", "doi": "10.1046/j.1432-1327.1998.2560317.x", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BZX" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "THE CRYSTAL STRUCTURE OF ANIONIC SALMON TRYPSIN IN COMPLEX WITH BOVINE PANCREATIC TRYPSIN INHIBITOR" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.5, "salt_mM": null, "temperature_c": 18.85 }, "construct": { "description": "PANCREATIC TRYPSIN INHIBITOR (chains A,B,C,D,E)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BZ5", "evidence_id": "EV-PDB-1BZ5-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.58 }, "provenance": { "deposit_id": "1BZ5", "doi": "10.1006/jmbi.2000.3584", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BZ5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "EVIDENCE OF A COMMON DECAMER IN THREE CRYSTAL STRUCTURES OF BPTI, CRYSTALLIZE FROM THIOCYANATE, CHLORIDE OR SULFATE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "BOVINE PANCREATIC TRYPSIN INHIBITOR (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BTI", "evidence_id": "EV-PDB-1BTI-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "1BTI", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BTI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CREVICE-FORMING MUTANTS IN THE RIGID CORE OF BOVINE PANCREATIC TRYPSIN INHIBITOR: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "BOVINE PANCREATIC TRYPSIN INHIBITOR (chains P,Q)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BTH", "evidence_id": "EV-PDB-1BTH-3", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "1BTH", "doi": "10.1093/emboj/16.11.2977", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BTH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "STRUCTURE OF THROMBIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN 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": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "PANCREATIC TRYPSIN INHIBITOR (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BRB", "evidence_id": "EV-PDB-1BRB-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "1BRB", "doi": "10.1006/jmbi.1993.1210", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BRB" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURES OF RAT ANIONIC TRYPSIN COMPLEXED WITH THE PROTEIN INHIBITORS APPI AND BPTI" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "BOVINE PANCREATIC TRYPSIN INHIBITOR (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BPT", "evidence_id": "EV-PDB-1BPT-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "1BPT", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BPT" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CREVICE-FORMING MUTANTS OF BPTI: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SCN" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.5, "salt_mM": null, "temperature_c": 18.85 }, "construct": { "description": "BOVINE PANCREATIC TRYPSIN INHIBITOR (chains A,B,C,D,E,F,G,H,I,J)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BHC", "evidence_id": "EV-PDB-1BHC-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.7 }, "provenance": { "deposit_id": "1BHC", "doi": "10.1107/S0907444998008725", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BHC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "BOVINE PANCREATIC TRYPSIN INHIBITOR CRYSTALLIZED FROM THIOCYANATE" }, { "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": 4.5, "salt_mM": null, "temperature_c": 23.85 }, "construct": { "description": "PROTEIN (PANCREATIC TRYPSIN INHIBITOR) (chains A,B,C,D,E)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1B0C", "evidence_id": "EV-PDB-1B0C-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.8 }, "provenance": { "deposit_id": "1B0C", "doi": "10.1006/jmbi.2000.3584", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1B0C" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "EVIDENCE OF A COMMON DECAMER IN THREE CRYSTAL STRUCTURES OF BPTI, CRYSTALLIZED FROM THIOCYANATE, CHLORIDE OR SULFATE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "BOVINE PANCREATIC TRYPSIN INHIBITOR (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1AAL", "evidence_id": "EV-PDB-1AAL-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "1AAL", "doi": "10.1002/prot.340140109", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1AAL" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "STRUCTURAL EFFECTS INDUCED BY MUTAGENESIS AFFECTED BY CRYSTAL PACKING FACTORS: THE STRUCTURE OF A 30-51 DISULFIDE MUTANT OF BASIC PANCREATIC TRYPSIN INHIBITOR" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "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": null }, "construct": { "description": "Pancreatic trypsin inhibitor (chains B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1YLD", "evidence_id": "EV-PDB-1YLD-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "1YLD", "doi": "10.1016/j.jmb.2007.10.084", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1YLD" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Trypsin/BPTI complex mutant" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "EDO", "NA", "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": "Pancreatic trypsin inhibitor (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2FTL", "evidence_id": "EV-PDB-2FTL-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.62 }, "provenance": { "deposit_id": "2FTL", "doi": "10.1016/j.jmb.2006.11.003", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2FTL" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of trypsin complexed with BPTI at 100K" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "EDO", "NA", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2FTM", "evidence_id": "EV-PDB-2FTM-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.65 }, "provenance": { "deposit_id": "2FTM", "doi": "10.1016/j.jmb.2006.11.003", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2FTM" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of trypsin complexed with the BPTI variant (Tyr35->Gly)" }, { "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": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "PROTEIN (PANCREATIC TRYPSIN INHIBITOR) (chains A,B,C,D,E)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2HEX", "evidence_id": "EV-PDB-2HEX-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "2HEX", "doi": "10.1107/S0907444998011068", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2HEX" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DECAMERS OBSERVED IN THE CRYSTALS OF BOVINE PANCREATIC TRYPSIN 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": 8.5, "salt_mM": null, "temperature_c": -103.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2IJO", "evidence_id": "EV-PDB-2IJO-3", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "2IJO", "doi": "10.1110/ps.072753207", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2IJO" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of the West Nile virus NS2B-NS3 protease complexed with bovine pancreatic trypsin 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": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "BOVINE PANCREATIC TRYPSIN INHIBITOR (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2KAI", "evidence_id": "EV-PDB-2KAI-3", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.5 }, "provenance": { "deposit_id": "2KAI", "doi": "10.1016/0022-2836(83)90078-5", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2KAI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "REFINED 2.5 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF THE COMPLEX FORMED BY PORCINE KALLIKREIN A AND THE BOVINE PANCREATIC TRYPSIN INHIBITOR. CRYSTALLIZATION, PATTERSON SEARCH, STRUCTURE DETERMINATION, REFINEMENT, STRUCTURE AND COMPARISON WITH ITS COMPONENTS AND WITH THE BOVINE TRYPSIN-PANCREATIC TRYPSIN INHIBITOR COMPLEX" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "TRYPSIN INHIBITOR (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2PTC", "evidence_id": "EV-PDB-2PTC-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "2PTC", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2PTC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS" }, { "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": 5.3, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains E,F,G,I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2R9P", "evidence_id": "EV-PDB-2R9P-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.4 }, "provenance": { "deposit_id": "2R9P", "doi": "10.1074/jbc.M708268200", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2R9P" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human mesotrypsin complexed with bovine pancreatic trypsin inhibitor(BPTI)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains C,I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2RA3", "evidence_id": "EV-PDB-2RA3-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.46 }, "provenance": { "deposit_id": "2RA3", "doi": "10.1074/jbc.M708268200", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2RA3" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human cationic trypsin complexed with bovine pancreatic trypsin inhibitor (BPTI)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "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": null }, "construct": { "description": "TRYPSIN INHIBITOR (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2TGP", "evidence_id": "EV-PDB-2TGP-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "2TGP", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2TGP" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "HG", "ILE", "VAL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "TRYPSIN INHIBITOR (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2TPI", "evidence_id": "EV-PDB-2TPI-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "2TPI", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2TPI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY" }, { "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": 8.5, "salt_mM": null, "temperature_c": -178.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2ZVX", "evidence_id": "EV-PDB-2ZVX-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.09 }, "provenance": { "deposit_id": "2ZVX", "doi": "10.1002/prot.22522", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2ZVX" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of a BPTI-[5,55] variant containing Gly/Val at the 14/38th positions" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "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": 19.85 }, "construct": { "description": "PROTEIN (BOVINE PANCREATIC TRYPSIN INHIBITOR) (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3BTD", "evidence_id": "EV-PDB-3BTD-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "3BTD", "doi": "10.1006/jmbi.1999.2654", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3BTD" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "The Crystal Structures of the Complexes Between the Bovine Beta-Trypsin and Ten P1 Variants of BPTI." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "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": 19.85 }, "construct": { "description": "PANCREATIC TRYPSIN INHIBITOR (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3BTE", "evidence_id": "EV-PDB-3BTE-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.85 }, "provenance": { "deposit_id": "3BTE", "doi": "10.1006/jmbi.1999.2654", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3BTE" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "The Crystal Structures of the Complexes Between Bovine Beta-Trypsin and Ten P1 Variants of BPTI." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "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": 19.85 }, "construct": { "description": "PROTEIN (PANCREATIC TRYPSIN INHIBITOR) (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3BTF", "evidence_id": "EV-PDB-3BTF-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "3BTF", "doi": "10.1006/jmbi.1999.2654", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3BTF" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "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": 19.85 }, "construct": { "description": "PROTEIN (PANCREATIC TRYPSIN INHIBITOR) (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3BTG", "evidence_id": "EV-PDB-3BTG-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "3BTG", "doi": "10.1006/jmbi.1999.2654", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3BTG" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "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": 19.85 }, "construct": { "description": "PROTEIN (PANCREATIC TRYPSIN INHIBITOR) (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3BTH", "evidence_id": "EV-PDB-3BTH-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.75 }, "provenance": { "deposit_id": "3BTH", "doi": "10.1006/jmbi.1999.2654", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3BTH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "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": 19.85 }, "construct": { "description": "PROTEIN (PANCREATIC TRYPSIN INHIBITOR) (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3BTK", "evidence_id": "EV-PDB-3BTK-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.85 }, "provenance": { "deposit_id": "3BTK", "doi": "10.1006/jmbi.1999.2654", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3BTK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "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": 19.85 }, "construct": { "description": "PROTEIN (PANCREATIC TRYPSIN INHIBITOR) (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3BTM", "evidence_id": "EV-PDB-3BTM-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "3BTM", "doi": "10.1006/jmbi.1999.2654", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3BTM" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "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": 19.85 }, "construct": { "description": "PROTEIN (BOVINE PANCREATIC TRYPSIN INHIBITOR) (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3BTQ", "evidence_id": "EV-PDB-3BTQ-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "3BTQ", "doi": "10.1006/jmbi.1999.2654", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3BTQ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "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": 19.85 }, "construct": { "description": "PROTEIN (PANCREATIC TRYPSIN INHIBITOR) (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3BTT", "evidence_id": "EV-PDB-3BTT-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "3BTT", "doi": "10.1006/jmbi.1999.2654", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3BTT" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "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": 19.85 }, "construct": { "description": "PROTEIN (BOVINE PANCREATIC TRYPSIN INHIBITOR) (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3BTW", "evidence_id": "EV-PDB-3BTW-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.05 }, "provenance": { "deposit_id": "3BTW", "doi": "10.1006/jmbi.1999.2654", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3BTW" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "EDO", "PG4", "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": "Pancreatic trypsin inhibitor (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3FP6", "evidence_id": "EV-PDB-3FP6-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.49 }, "provenance": { "deposit_id": "3FP6", "doi": "10.1073/pnas.0902463106", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3FP6" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Anionic trypsin in complex with bovine pancreatic trypsin inhibitor (BPTI) determined to the 1.49 A resolution limit" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "EDO", "PG4", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains J)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3FP7", "evidence_id": "EV-PDB-3FP7-3", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.46 }, "provenance": { "deposit_id": "3FP7", "doi": "10.1073/pnas.0902463106", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3FP7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Anionic trypsin variant S195A in complex with bovine pancreatic trypsin inhibitor (BPTI) cleaved at the scissile bond (LYS15-ALA16) determined to the 1.46 A resolution limit" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "EDO", "PG4", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3FP7", "evidence_id": "EV-PDB-3FP7-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.46 }, "provenance": { "deposit_id": "3FP7", "doi": "10.1073/pnas.0902463106", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3FP7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Anionic trypsin variant S195A in complex with bovine pancreatic trypsin inhibitor (BPTI) cleaved at the scissile bond (LYS15-ALA16) determined to the 1.46 A resolution limit" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL", "HG", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.6, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains A,B,C,D,E)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3LDI", "evidence_id": "EV-PDB-3LDI-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "3LDI", "doi": "10.1016/j.bbrc.2010.05.113", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3LDI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of aprotinin in complex with sucrose octasulfate: unusual interactions and implication for heparin binding" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ACT", "branched: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-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": 8.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3LDJ", "evidence_id": "EV-PDB-3LDJ-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "3LDJ", "doi": "10.1016/j.bbrc.2010.05.113", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3LDJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of aprotinin in complex with sucrose octasulfate: unusual interactions and implication for heparin binding" }, { "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": 4.6, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains A,B,C,D,E)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3LDM", "evidence_id": "EV-PDB-3LDM-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.6 }, "provenance": { "deposit_id": "3LDM", "doi": "10.1016/j.bbrc.2010.05.113", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3LDM" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of aprotinin in complex with sucrose octasulfate: unusual interactions and implication for heparin binding" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "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": 19.85 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3OTJ", "evidence_id": "EV-PDB-3OTJ-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.15 }, "provenance": { "deposit_id": "3OTJ", "doi": "10.1107/S0907444910053382", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3OTJ" }, "reader": null, "source_kind": "deposit", "technique": "neutron", "title": "A Crystal Structure of Trypsin Complexed with BPTI (Bovine Pancreatic Trypsin Inhibitor) by X-ray/Neutron Joint Refinement" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA" ], "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": null }, "construct": { "description": "Pancreatic trypsin inhibitor (chains E)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3P92", "evidence_id": "EV-PDB-3P92-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5992 }, "provenance": { "deposit_id": "3P92", "doi": "10.1042/BJ20110788", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3P92" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human mesotrypsin complexed with bovine pancreatic trypsin inhibitor variant (BPTI-K15R/R17G)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": 3.85 }, "construct": { "description": "BOVINE PANCREATIC TRYPSIN INHIBITOR (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3TGI", "evidence_id": "EV-PDB-3TGI-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "3TGI", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3TGI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "WILD-TYPE RAT ANIONIC TRYPSIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": 3.85 }, "construct": { "description": "BOVINE PANCREATIC TRYPSIN INHIBITOR (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3TGJ", "evidence_id": "EV-PDB-3TGJ-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "3TGJ", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3TGJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "S195A TRYPSINOGEN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": 3.85 }, "construct": { "description": "PANCREATIC TRYPSIN INHIBITOR (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3TGK", "evidence_id": "EV-PDB-3TGK-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "3TGK", "doi": "10.1110/ps.44101", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3TGK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "TRYPSINOGEN MUTANT D194N AND DELETION OF ILE 16-VAL 17 COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains E)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3U1J", "evidence_id": "EV-PDB-3U1J-3", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "3U1J", "doi": "10.1128/JVI.06225-11", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3U1J" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Aprotinin bound to Dengue virus protease" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "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": null }, "construct": { "description": "Pancreatic trypsin inhibitor (chains C,E,F,H)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4DG4", "evidence_id": "EV-PDB-4DG4-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.4 }, "provenance": { "deposit_id": "4DG4", "doi": "10.1002/pro.2097", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4DG4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human mesotrypsin-S39Y complexed with bovine pancreatic trypsin inhibitor (BPTI)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "TRYPSIN INHIBITOR (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4PTI", "evidence_id": "EV-PDB-4PTI-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5 }, "provenance": { "deposit_id": "4PTI", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4PTI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "SO4", "VAL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "BOVINE PANCREATIC TRYPSIN INHIBITOR (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4TPI", "evidence_id": "EV-PDB-4TPI-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "4TPI", "doi": "10.1111/j.1432-1033.1984.tb08447.x", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4TPI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "THE REFINED 2.2-ANGSTROMS (0.22-NM) X-RAY CRYSTAL STRUCTURE OF THE TERNARY COMPLEX FORMED BY BOVINE TRYPSINOGEN, VALINE-VALINE AND THE ARG15 ANALOGUE OF BOVINE PANCREATIC TRYPSIN INHIBITOR" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains C,I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4WWY", "evidence_id": "EV-PDB-4WWY-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "4WWY", "doi": "10.1074/jbc.M115.662429", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4WWY" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "human cationic trypsin G193R mutant in complex with bovine pancreatic trypsin inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "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": "Pancreatic trypsin inhibitor (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4Y0Y", "evidence_id": "EV-PDB-4Y0Y-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.25 }, "provenance": { "deposit_id": "4Y0Y", "doi": "10.1039/c4sc03227f", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4Y0Y" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Trypsin in complex with with BPTI" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "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": "Pancreatic trypsin inhibitor (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4Y0Z", "evidence_id": "EV-PDB-4Y0Z-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.37 }, "provenance": { "deposit_id": "4Y0Z", "doi": "10.1039/c4sc03227f", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4Y0Z" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Trypsin in complex with with BPTI mutant AMINOBUTYRIC ACID" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains C,I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4WXV", "evidence_id": "EV-PDB-4WXV-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "4WXV", "doi": "10.1074/jbc.M115.662429", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4WXV" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human cationic trypsin K97D mutant in complex with bovine pancreatic trypsin inhibitor (BPTI)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.6, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "PANCREATIC TRYPSIN INHIBITOR (chains I,J)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4BNR", "evidence_id": "EV-PDB-4BNR-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "4BNR", "doi": "10.1111/FEBS.12491", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4BNR" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Extremely stable complex of crayfish trypsin with bovine trypsin inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -178.15 }, "construct": { "description": "Bovine Pancreatic Trypsin Inhibitor (chains A,B,C,E,F,G,H,I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3WNY", "evidence_id": "EV-PDB-3WNY-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.3 }, "provenance": { "deposit_id": "3WNY", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3WNY" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "A simplified BPTI variant with poly Lys amino acid tag (C3K) at the C-terminus" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "ILE", "SO4", "VAL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "BOVINE PANCREATIC TRYPSIN INHIBITOR (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3TPI", "evidence_id": "EV-PDB-3TPI-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "3TPI", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3TPI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA" ], "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": null }, "construct": { "description": "Pancreatic trypsin inhibitor (chains E)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3P95", "evidence_id": "EV-PDB-3P95-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.2991 }, "provenance": { "deposit_id": "3P95", "doi": "10.1042/BJ20110788", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3P95" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human mesotrypsin complexed with bovine pancreatic trypsin inhibitor variant (BPTI-K15R/R17D)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains I,J)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3GYM", "evidence_id": "EV-PDB-3GYM-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.8 }, "provenance": { "deposit_id": "3GYM", "doi": "10.1002/pro.118", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3GYM" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of Prostasin in Complex with Aprotinin" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "EDO", "PG4", "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": "Pancreatic trypsin inhibitor (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3FP8", "evidence_id": "EV-PDB-3FP8-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.46 }, "provenance": { "deposit_id": "3FP8", "doi": "10.1073/pnas.0902463106", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3FP8" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Anionic trypsin variant S195A in complex with bovine pancreatic trypsin inhibitor (BPTI) determined to the 1.46 A resolution limit" }, { "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": 8.7, "salt_mM": null, "temperature_c": -178.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2ZJX", "evidence_id": "EV-PDB-2ZJX-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.09 }, "provenance": { "deposit_id": "2ZJX", "doi": "10.1073/pnas.0802699105", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2ZJX" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Bovine pancreatic trypsin inhibitor (BPTI) containing only the [5,55] disulfide bond" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "EDO", "NA", "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": "Pancreatic trypsin inhibitor (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2FI5", "evidence_id": "EV-PDB-2FI5-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.58 }, "provenance": { "deposit_id": "2FI5", "doi": "10.1016/j.jmb.2008.07.063", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2FI5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of a BPTI variant (Cys38->Ser) in complex with trypsin" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "EDO", "NA", "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": "Pancreatic trypsin inhibitor (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2FI4", "evidence_id": "EV-PDB-2FI4-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.58 }, "provenance": { "deposit_id": "2FI4", "doi": "10.1016/j.jmb.2008.07.063", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2FI4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of a BPTI variant (Cys14->Ser) in complex with trypsin" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "EDO", "NA", "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": "Pancreatic trypsin inhibitor (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2FI3", "evidence_id": "EV-PDB-2FI3-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.58 }, "provenance": { "deposit_id": "2FI3", "doi": "10.1016/j.jmb.2008.07.063", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2FI3" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of a BPTI variant (Cys14->Ser, Cys38->Ser) in complex with trypsin" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "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": "Pancreatic trypsin inhibitor (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4Y10", "evidence_id": "EV-PDB-4Y10-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.37 }, "provenance": { "deposit_id": "4Y10", "doi": "10.1039/c4sc03227f", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4Y10" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Trypsin in complex with with BPTI mutant (2S)-2-amino-4,4-difluorobutanoic acid" }, { "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": 8.5, "salt_mM": null, "temperature_c": -178.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5JB4", "evidence_id": "EV-PDB-5JB4-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.99 }, "provenance": { "deposit_id": "5JB4", "doi": "10.1038/srep41205", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5JB4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "A simplified BPTI variant containing 21 alanines out 58 of residues" }, { "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": 8.5, "salt_mM": null, "temperature_c": -178.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5JB5", "evidence_id": "EV-PDB-5JB5-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "5JB5", "doi": "10.1038/srep41205", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5JB5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "A simplified BPTI variant containing 22 alanines out of 58 residues" }, { "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": 8.5, "salt_mM": null, "temperature_c": -178.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5JB7", "evidence_id": "EV-PDB-5JB7-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "5JB7", "doi": "10.1038/srep41205", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5JB7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "A simplified BPTI variant containing 24 alanines out of 58 residues" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PO4", "UNX" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "TRYPSIN INHIBITOR (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5PTI", "evidence_id": "EV-PDB-5PTI-1", "mappings": [ { "confidence": "high", "justification": "Representative native structure; title and UniProt mapping checked against RCSB.", "rule": "curator_assignment", "state_id": "BPTI-native", "who": "curator:draft (unreviewed)" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.0 }, "provenance": { "deposit_id": "5PTI", "doi": "10.1016/S0022-2836(84)80006-6", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5PTI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR. RESULTS OF JOINT NEUTRON AND X-RAY REFINEMENT OF CRYSTAL FORM II" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -172.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5XX2", "evidence_id": "EV-PDB-5XX2-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.12 }, "provenance": { "deposit_id": "5XX2", "doi": "10.1111/febs.14941", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5XX2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "A BPTI-[5,55] variant with C14GA38L mutations" }, { "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": 8.5, "salt_mM": null, "temperature_c": -172.0 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5XX4", "evidence_id": "EV-PDB-5XX4-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.67 }, "provenance": { "deposit_id": "5XX4", "doi": "10.1111/febs.14941", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5XX4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "A BPTI-[5,55] variant with C14GA38K mutations" }, { "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": 8.5, "salt_mM": null, "temperature_c": -172.0 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5XX5", "evidence_id": "EV-PDB-5XX5-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.38 }, "provenance": { "deposit_id": "5XX5", "doi": "10.1111/febs.14941", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5XX5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "A BPTI-[5,55] variant with C14GA38I mutations" }, { "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": 8.5, "salt_mM": null, "temperature_c": -172.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5XX6", "evidence_id": "EV-PDB-5XX6-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.31 }, "provenance": { "deposit_id": "5XX6", "doi": "10.1016/j.bbrc.2017.08.161", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5XX6" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hetero-micro-seeding: Crystal structure of BPTI-[5,55]C14GA38I variant using micro-seeds from -C14GA38G variant" }, { "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": 8.5, "salt_mM": null, "temperature_c": -172.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains A,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5XX7", "evidence_id": "EV-PDB-5XX7-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.38 }, "provenance": { "deposit_id": "5XX7", "doi": "10.1016/j.bbrc.2017.08.161", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5XX7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hetero-micro-seeding: Crystal structure of BPTI-[5,55]C14GA38I variant using micro-seeds from -C14GA38I variant" }, { "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": 8.5, "salt_mM": null, "temperature_c": -172.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5XX8", "evidence_id": "EV-PDB-5XX8-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.3 }, "provenance": { "deposit_id": "5XX8", "doi": "10.1016/j.bbrc.2017.08.161", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5XX8" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Hetero-micro-seeding: Crystal structure of BPTI-[555]C14GA38I variant using micro-seeds from -C14GA38L variant" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "PANCREATIC TRYPSIN INHIBITOR PRECURSOR (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6PTI", "evidence_id": "EV-PDB-6PTI-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "6PTI", "doi": "10.1016/0022-2836(87)90294-4", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6PTI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "STRUCTURE OF FORM III CRYSTALS OF BOVINE PANCREATIC TRYPSIN INHIBITOR" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "BOVINE PANCREATIC TRYPSIN INHIBITOR (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7PTI", "evidence_id": "EV-PDB-7PTI-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "7PTI", "doi": "10.1093/protein/3.7.591", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7PTI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "STRUCTURAL EFFECTS INDUCED BY REMOVAL OF A DISULFIDE BRIDGE. THE X-RAY STRUCTURE OF THE C30A(SLASH)C51A MUTANT OF BASIC PANCREATIC TRYPSIN INHIBITOR AT 1.6 ANGSTROMS" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "BOVINE PANCREATIC TRYPSIN INHIBITOR (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8PTI", "evidence_id": "EV-PDB-8PTI-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "8PTI", "doi": "10.1016/0022-2836(91)90115-M", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8PTI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF A Y35G MUTANT OF BOVINE PANCREATIC TRYPSIN INHIBITOR" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "BOVINE PANCREATIC TRYPSIN INHIBITOR (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9PTI", "evidence_id": "EV-PDB-9PTI-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.22 }, "provenance": { "deposit_id": "9PTI", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9PTI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "BASIC PANCREATIC TRYPSIN INHIBITOR (MET 52 OXIDIZED)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains D,H)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7QIT", "evidence_id": "EV-PDB-7QIT-4", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.99 }, "provenance": { "deposit_id": "7QIT", "doi": "10.1039/d2cb00018k", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7QIT" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF THE P1 trifluoroethylglycine (TfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains D,H)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7QIS", "evidence_id": "EV-PDB-7QIS-4", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.83 }, "provenance": { "deposit_id": "7QIS", "doi": "10.1039/d2cb00018k", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7QIS" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF THE P1 difluoroethylglycine (DfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains D,H)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7QIR", "evidence_id": "EV-PDB-7QIR-4", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "7QIR", "doi": "10.1039/d2cb00018k", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7QIR" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF THE P1 monofluorethylglycine(MfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains D,H)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7QIQ", "evidence_id": "EV-PDB-7QIQ-4", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.85 }, "provenance": { "deposit_id": "7QIQ", "doi": "10.1039/d2cb00018k", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7QIQ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF THE P1 aminobutanoic acid (ABU) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "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": "Pancreatic trypsin inhibitor (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7PH1", "evidence_id": "EV-PDB-7PH1-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.18 }, "provenance": { "deposit_id": "7PH1", "doi": "10.1021/acs.jpcb.2c05496", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7PH1" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Trypsin in complex with BPTI mutant (2S)-2-amino-4-monofluorobutanoic acid" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains A,B,C,D,E)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6F1F", "evidence_id": "EV-PDB-6F1F-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": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.716 }, "provenance": { "deposit_id": "6F1F", "doi": "10.1039/c8sc01110a", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6F1F" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "The methylene thioacetal BPTI (Bovine Pancreatic Trypsin Inhibitor) mutant 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": -173.15 }, "construct": { "description": "PTI protein (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5YW1", "evidence_id": "EV-PDB-5YW1-3", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.6 }, "provenance": { "deposit_id": "5YW1", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5YW1" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of full length NS3 protein (eD4NS2BNS3) in complex with Bovine Pancreatic Trypsin Inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5YVU", "evidence_id": "EV-PDB-5YVU-3", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.491 }, "provenance": { "deposit_id": "5YVU", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5YVU" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structures of unlinked full length NS3 from Dengue virus provide insights into dynamics of protease domain" }, { "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": 8.5, "salt_mM": null, "temperature_c": -172.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5XX3", "evidence_id": "EV-PDB-5XX3-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.12 }, "provenance": { "deposit_id": "5XX3", "doi": "10.1111/febs.14941", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5XX3" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "A BPTI-[5,55] variant with C14GA38G mutations" }, { "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": 8.5, "salt_mM": null, "temperature_c": -178.15 }, "construct": { "description": "Pancreatic trypsin inhibitor (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5JB6", "evidence_id": "EV-PDB-5JB6-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "5JB6", "doi": "10.1038/srep41205", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5JB6" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "A simplified BPTI variant containing 23 alanines out of 58 residues" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "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": "Pancreatic trypsin inhibitor (chains I)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4Y11", "evidence_id": "EV-PDB-4Y11-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "bpti-structures-native", "state_id": "BPTI-native", "who": "rule:bpti-structures-native" } ], "molecule_id": "P00974", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.3 }, "provenance": { "deposit_id": "4Y11", "doi": "10.1039/c4sc03227f", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4Y11" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Trypsin in complex with with BPTI mutant (2S)-2-amino-4,4,4-trifluorobutanoic acid" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 12.5, "salt_mM": null, "temperature_c": 27.85 }, "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=1039", "evidence_id": "EV-BMRB-1039", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; 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Am. Chem. Soc. 1989 111,7716-7722]" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 4.6, "salt_mM": null, "temperature_c": 35.85 }, "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=49", "evidence_id": "EV-BMRB-49", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so.", "rule": "bpti-nmr-shifts-native", "state_id": "BPTI-native", "who": "rule:bpti-nmr-shifts-native" } ], "molecule_id": "P00974", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr49", "doi": "10.13018/BMR49", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=49" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Comparative studies of conformation and internal mobility in native and circular basic pancreatic trypsin inhibitor by 1H nuclear magnetic resonance in solution" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 4.6, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "BMRB data: 1H chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=5171", "evidence_id": "EV-BMRB-5171", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; shift-only entries rarely describe non-native states unless titled so.", "rule": "bpti-nmr-shifts-native", "state_id": "BPTI-native", "who": "rule:bpti-nmr-shifts-native" } ], "molecule_id": "P00974", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr5171", "doi": "10.13018/BMR5171", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=5171" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "NMR Structure of BPTI Mutant G37A" }, { "conditions": { "applied_force_pn": null, "buffer": "50 mM Tris-HCL, 150 mM NaCl", "environment": "in_vitro", "ions": [], "ligands": [ "partner: Protein disulfide-isomerase" ], "notes": "Other molecules in the sample are listed as partners; Rg is of the whole sample. Dmax 8.85 nm.", "ph": 7.5, "salt_mM": null, "temperature_c": 10.0 }, "construct": { "description": "Pancreatic trypsin inhibitor with Protein disulfide-isomerase", "labels": [] }, "data_format": "scattering curve", "data_level": "processed", "data_link": "https://www.sasbdb.org/data/SASDH22/", "evidence_id": "EV-SASBDB-SASDH22", "mappings": [], "molecule_id": "P00974", "observable": { "type": "radius_of_gyration", "uncertainty": 0.069, "unit": "nm", "value": 3.16 }, "provenance": { "deposit_id": "SASDH22", "doi": "10.1007/s40203-024-00198-0", "licence": "CC BY 4.0 (verify)", "retrieved": "2026-10-19", "source": "SASBDB", "url": "https://www.sasbdb.org/data/SASDH22/" }, "reader": null, "source_kind": "deposit", "technique": "saxs_sans", "title": "Insights on the dynamic behavior of protein disulfide isomerase in the solution environment through the SAXS technique" }, { "conditions": { "applied_force_pn": null, "buffer": "50 mM Tris-HCL, 150 mM NaCl", "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Other molecules in the sample are listed as partners; Rg is of the whole sample. 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