{ "conflicts": [], "coverage": { "cells": { "DHFR-closed": { "af_prediction": 0, "cryoem": 0, "force_spectroscopy": 0, "neutron": 0, "nmr_shifts": 0, "xray": 73 }, "DHFR-occluded": { "af_prediction": 0, "cryoem": 0, "force_spectroscopy": 0, "neutron": 0, "nmr_shifts": 0, "xray": 7 } }, "data_levels": { "DHFR-closed": { "xray": "processed" }, "DHFR-occluded": { "xray": "processed" } }, "single_method_states": [ "DHFR-closed", "DHFR-occluded" ], "states": [ "DHFR-closed", "DHFR-occluded" ], "techniques": [ "xray", "cryoem", "neutron", "nmr_shifts", "force_spectroscopy", "af_prediction" ], "unmapped_evidence": 112 }, "curation": { "as_of": "2026-10-19", "curator": "draft (unreviewed)", "file": "P0ABQ4.yaml", "status": "draft" }, "evidence": [ { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "MTX" ], "notes": "Entry-level ligand list; 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": "DIHYDROFOLATE REDUCTASE (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1DRA", "evidence_id": "EV-PDB-1DRA-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "1DRA", "doi": "10.1021/bi00222a028", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1DRA" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF UNLIGANDED ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. LIGAND-INDUCED CONFORMATIONAL CHANGES AND COOPERATIVITY IN BINDING" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "DZF" ], "notes": "Entry-level ligand list; 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": "DIHYDROFOLATE REDUCTASE (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1DYH", "evidence_id": "EV-PDB-1DYH-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "1DYH", "doi": "10.1021/bi00008a039", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1DYH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "ISOMORPHOUS CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE, 5-DEAZAFOLATE AND 5,10-DIDEAZATETRAHYDROFOLATE: MECHANISTIC IMPLICATIONS" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "DIHYDROFOLATE REDUCTASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1RA2", "evidence_id": "EV-PDB-1RA2-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "1RA2", "doi": "10.1021/bi962337c", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1RA2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CL", "DHF", "MN" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.6, "salt_mM": null, "temperature_c": 3.85 }, "construct": { "description": "DIHYDROFOLATE REDUCTASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1RF7", "evidence_id": "EV-PDB-1RF7-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "1RF7", "doi": "10.1021/bi962337c", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1RF7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "STRUCTURE OF DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDROFOLATE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "MTX", "TE" ], "notes": "Entry-level ligand list; 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": "TELLUROMETHIONYL DIHYDROFOLATE REDUCTASE (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1TDR", "evidence_id": "EV-PDB-1TDR-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.5 }, "provenance": { "deposit_id": "1TDR", "doi": "10.1107/S0907444995001156", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1TDR" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "EXPRESSION, CHARACTERIZATION, AND CRYSTALLOGRAPHIC ANALYSIS OF TELLUROMETHIONYL DIHYDROFOLATE REDUCTASE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CL", "FOL" ], "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": 16.85 }, "construct": { "description": "Dihydrofolate reductase (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2D0K", "evidence_id": "EV-PDB-2D0K-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "2D0K", "doi": "10.1074/jbc.M508823200", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2D0K" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Methionine-free mutant of Escherichia coli dihydrofolate reductase" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "MTX" ], "notes": "Entry-level ligand list; 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": "DIHYDROFOLATE REDUCTASE (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2DRC", "evidence_id": "EV-PDB-2DRC-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "2DRC", "doi": "10.1021/bi00110a011", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2DRC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "INVESTIGATION OF THE FUNCTIONAL ROLE OF TRYPTOPHAN-22 IN ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE BY SITE-DIRECTED MUTAGENESIS" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "MTX" ], "notes": "Entry-level ligand list; 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": "DIHYDROFOLATE REDUCTASE (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3DRC", "evidence_id": "EV-PDB-3DRC-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "3DRC", "doi": "10.1021/bi00110a011", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3DRC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "INVESTIGATION OF THE FUNCTIONAL ROLE OF TRYPTOPHAN-22 IN ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE BY SITE-DIRECTED MUTAGENESIS" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3K74", "evidence_id": "EV-PDB-3K74-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.95 }, "provenance": { "deposit_id": "3K74", "doi": "10.1016/j.jmb.2011.01.017", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3K74" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Disruption of protein dynamics by an allosteric effector antibody" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "6ME", "CA", "CL", "NDP" ], "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": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3R33", "evidence_id": "EV-PDB-3R33-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.09 }, "provenance": { "deposit_id": "3R33", "doi": "10.1038/nchembio.769", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3R33" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Evidence for dynamic motion in proteins as a mechanism for ligand dissociation" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "NDP", "Q24" ], "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": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3QYO", "evidence_id": "EV-PDB-3QYO-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.09 }, "provenance": { "deposit_id": "3QYO", "doi": "10.1038/nchembio.769", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3QYO" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Sensitivity of receptor internal motions to ligand binding affinity and kinetic off-rate" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "7ME", "CA", "CL", "NDP" ], "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": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3QYL", "evidence_id": "EV-PDB-3QYL-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.79 }, "provenance": { "deposit_id": "3QYL", "doi": "10.1038/nchembio.769", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3QYL" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Sensitivity of receptor internal motions to ligand binding affinity and kinetic off-rate" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "notes": "Entry-level ligand list; 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": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3QL3", "evidence_id": "EV-PDB-3QL3-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "3QL3", "doi": "10.1126/science.1198542", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3QL3" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Re-refined coordinates for PDB entry 1RX2" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2MX", "CL", "MN" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.6, "salt_mM": null, "temperature_c": -73.15 }, "construct": { "description": "Dihydrofolate reductase (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3OCH", "evidence_id": "EV-PDB-3OCH-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.79 }, "provenance": { "deposit_id": "3OCH", "doi": "10.1021/ja107153a", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3OCH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Chemically Self-assembled Antibody Nanorings (CSANs): Design and Characterization of an Anti-CD3 IgM Biomimetic" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "JZM", "NDP" ], "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": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3KFY", "evidence_id": "EV-PDB-3KFY-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.08 }, "provenance": { "deposit_id": "3KFY", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3KFY" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Dynamic switching and partial occupancies of a small molecule inhibitor complex of DHFR" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "MTX", "NDP" ], "notes": "Entry-level ligand list; 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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": "Dihydrofolate reductase (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2INQ", "evidence_id": "EV-PDB-2INQ-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "2INQ", "doi": "10.1073/pnas.0604977103", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2INQ" }, "reader": null, "source_kind": "deposit", "technique": "neutron", "title": "Neutron Crystal Structure of Escherichia coli Dihydrofolate Reductase Bound to the Anti-cancer drug, Methotrexate" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "C1A", "MN", "NDP" ], "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": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2ANQ", "evidence_id": "EV-PDB-2ANQ-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.13 }, "provenance": { "deposit_id": "2ANQ", "doi": "10.1021/jm060570v", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2ANQ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of E.coli DHFR in complex with NADPH and the inhibitor compound 10a." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "817", "MN", "NDP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.6, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2ANO", "evidence_id": "EV-PDB-2ANO-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.68 }, "provenance": { "deposit_id": "2ANO", "doi": "10.1021/jm060570v", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2ANO" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of E.coli dihydrofolate reductase in complex with NADPH and the inhibitor MS-SH08-17" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "BME", "CA", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": 3.85 }, "construct": { "description": "DIHYDROFOLATE REDUCTASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1RX9", "evidence_id": "EV-PDB-1RX9-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "1RX9", "doi": "10.1021/bi962337c", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1RX9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "BME", "FOL", "MN", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "DIHYDROFOLATE REDUCTASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1RX8", "evidence_id": "EV-PDB-1RX8-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.8 }, "provenance": { "deposit_id": "1RX8", "doi": "10.1021/bi962337c", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1RX8" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE AND 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": 19.85 }, "construct": { "description": "DIHYDROFOLATE REDUCTASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1RX7", "evidence_id": "EV-PDB-1RX7-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "1RX7", "doi": "10.1021/bi962337c", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1RX7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "STRUCTURE OF DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "BME", "DDF", "NAP" ], "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": "DIHYDROFOLATE REDUCTASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1RX6", "evidence_id": "EV-PDB-1RX6-1", "mappings": [ { "confidence": "medium", "justification": "Product analogue 5,10-dideazatetrahydrofolate (DDF) bound: occluded in E. coli DHFR.", "rule": "dhfr-ddthf-occluded", "state_id": "DHFR-occluded", "who": "rule:dhfr-ddthf-occluded" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "1RX6", "doi": "10.1021/bi962337c", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1RX6" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH 5,10-DIDEAZATETRAHYDROFOLATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (REDUCED FORM)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "DDF" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.4, "salt_mM": null, "temperature_c": 19.85 }, "construct": { "description": "DIHYDROFOLATE REDUCTASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1RX5", "evidence_id": "EV-PDB-1RX5-1", "mappings": [ { "confidence": "medium", "justification": "Product analogue 5,10-dideazatetrahydrofolate (DDF) bound: occluded in E. coli DHFR.", "rule": "dhfr-ddthf-occluded", "state_id": "DHFR-occluded", "who": "rule:dhfr-ddthf-occluded" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "1RX5", "doi": "10.1021/bi962337c", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1RX5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH 5,10-DIDEAZATETRAHYDROFOLATE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "BME", "DDF", "NAP" ], "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": "DIHYDROFOLATE REDUCTASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1RX4", "evidence_id": "EV-PDB-1RX4-1", "mappings": [ { "confidence": "medium", "justification": "Dideazatetrahydrofolate complex; occluded in Sawaya and Kraut (1997). Confirm.", "rule": "curator_assignment", "state_id": "DHFR-occluded", "who": "curator:draft (unreviewed)" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "1RX4", "doi": "10.1021/bi962337c", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1RX4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH 5,10-DIDEAZATETRAHYDROFOLATE AND 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "BME", "MN", "MTX", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": 19.85 }, "construct": { "description": "DIHYDROFOLATE REDUCTASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1RX3", "evidence_id": "EV-PDB-1RX3-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "1RX3", "doi": "10.1021/bi962337c", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1RX3" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH METHOTREXATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (REDUCED FORM)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "BME", "FOL", "MN", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": 19.85 }, "construct": { "description": "DIHYDROFOLATE REDUCTASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1RX2", "evidence_id": "EV-PDB-1RX2-1", "mappings": [ { "confidence": "medium", "justification": "Folate and NADP+ complex; closed in Sawaya and Kraut (1997). Confirm.", "rule": "curator_assignment", "state_id": "DHFR-closed", "who": "curator:draft (unreviewed)" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "1RX2", "doi": "10.1021/bi962337c", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1RX2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH WITH FOLATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.0, "salt_mM": null, "temperature_c": 19.85 }, "construct": { "description": "DIHYDROFOLATE REDUCTASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1RX1", "evidence_id": "EV-PDB-1RX1-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "1RX1", "doi": "10.1021/bi962337c", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1RX1" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (REDUCED FORM)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "MTX", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "DIHYDROFOLATE REDUCTASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1RH3", "evidence_id": "EV-PDB-1RH3-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.4 }, "provenance": { "deposit_id": "1RH3", "doi": "10.1021/bi962337c", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1RH3" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (REDUCED FORM)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "MTX" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.2, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "DIHYDROFOLATE REDUCTASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1RG7", "evidence_id": "EV-PDB-1RG7-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "1RG7", "doi": "10.1021/bi962337c", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1RG7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL" ], "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": 24.85 }, "construct": { "description": "DIHYDROFOLATE REDUCTASE (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1RE7", "evidence_id": "EV-PDB-1RE7-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.6 }, "provenance": { "deposit_id": "1RE7", "doi": "10.1021/bi962337c", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1RE7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "BME", "FOL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "DIHYDROFOLATE REDUCTASE (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1RD7", "evidence_id": "EV-PDB-1RD7-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.6 }, "provenance": { "deposit_id": "1RD7", "doi": "10.1021/bi962337c", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1RD7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "DDF", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.2, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "DIHYDROFOLATE REDUCTASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1RC4", "evidence_id": "EV-PDB-1RC4-1", "mappings": [ { "confidence": "medium", "justification": "Product analogue 5,10-dideazatetrahydrofolate (DDF) bound: occluded in E. coli DHFR.", "rule": "dhfr-ddthf-occluded", "state_id": "DHFR-occluded", "who": "rule:dhfr-ddthf-occluded" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "1RC4", "doi": "10.1021/bi962337c", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1RC4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DIHYDROFOLATE REDUCTASE COMPLEXED WITH 5,10-DIDEAZATETRAHYDROFOLATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "MTX", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "DIHYDROFOLATE REDUCTASE (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1RB3", "evidence_id": "EV-PDB-1RB3-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "1RB3", "doi": "10.1021/bi962337c", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1RB3" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "NAP" ], "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": 24.85 }, "construct": { "description": "DIHYDROFOLATE REDUCTASE (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1RB2", "evidence_id": "EV-PDB-1RB2-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "1RB2", "doi": "10.1021/bi962337c", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1RB2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "DIHYDROFOLATE REDUCTASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1RA9", "evidence_id": "EV-PDB-1RA9-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.55 }, "provenance": { "deposit_id": "1RA9", "doi": "10.1021/bi962337c", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1RA9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DIHYDROFOLATE REDUCTASE COMPLEXED WITH NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ATR", "FOL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "DIHYDROFOLATE REDUCTASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1RA8", "evidence_id": "EV-PDB-1RA8-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "1RA8", "doi": "10.1021/bi962337c", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1RA8" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE AND 2-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "BME", "MTX", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "DIHYDROFOLATE REDUCTASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1RA3", "evidence_id": "EV-PDB-1RA3-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "1RA3", "doi": "10.1021/bi962337c", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1RA3" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "DIHYDROFOLATE REDUCTASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1RA1", "evidence_id": "EV-PDB-1RA1-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "1RA1", "doi": "10.1021/bi962337c", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1RA1" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DIHYDROFOLATE REDUCTASE COMPLEXED WITH NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (REDUCED FORM)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "EOH", "FFO" ], "notes": "Entry-level ligand list; 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": "DIHYDROFOLATE REDUCTASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1JOM", "evidence_id": "EV-PDB-1JOM-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "1JOM", "doi": "10.1021/bi960028g", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1JOM" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "THE CRYSTAL STRUCTURE OF THE BINARY COMPLEX BETWEEN FOLINIC ACID (LEUCOVORIN) AND E. COLI DIHYDROFOLATE REDUCTASE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "FFO" ], "notes": "Entry-level ligand list; 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": "DIHYDROFOLATE REDUCTASE (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1JOL", "evidence_id": "EV-PDB-1JOL-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.96 }, "provenance": { "deposit_id": "1JOL", "doi": "10.1021/bi960028g", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1JOL" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "THE CRYSTAL STRUCTURE OF THE BINARY COMPLEX BETWEEN FOLINIC ACID (LEUCOVORIN) AND E. COLI DIHYDROFOLATE REDUCTASE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "DDF" ], "notes": "Entry-level ligand list; 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": "DIHYDROFOLATE REDUCTASE (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1DYJ", "evidence_id": "EV-PDB-1DYJ-1", "mappings": [ { "confidence": "medium", "justification": "Product analogue 5,10-dideazatetrahydrofolate (DDF) bound: occluded in E. coli DHFR.", "rule": "dhfr-ddthf-occluded", "state_id": "DHFR-occluded", "who": "rule:dhfr-ddthf-occluded" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.85 }, "provenance": { "deposit_id": "1DYJ", "doi": "10.1021/bi00008a039", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1DYJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "ISOMORPHOUS CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE, 5-DEAZAFOLATE AND 5,10-DIDEAZATETRAHYDROFOLATE: MECHANISTIC IMPLICATIONS" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "FOL" ], "notes": "Entry-level ligand list; 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": "DIHYDROFOLATE REDUCTASE (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1DYI", "evidence_id": "EV-PDB-1DYI-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "1DYI", "doi": "10.1021/bi00008a039", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1DYI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "ISOMORPHOUS CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE, 5-DEAZAFOLATE AND 5,10-DIDEAZATETRAHYDROFOLATE: MECHANISTIC IMPLICATIONS" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "NAP" ], "notes": "Entry-level ligand list; 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": "DIHYDROFOLATE REDUCTASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1DRH", "evidence_id": "EV-PDB-1DRH-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "1DRH", "doi": "10.1021/bi00008a039", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1DRH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "ISOMORPHOUS CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE, 5-DEAZAFOLATE AND 5,10-DIDEAZATETRAHYDROFOLATE: MECHANISTIC IMPLICATIONS" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "MTX", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "DIHYDROFOLATE REDUCTASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1DRE", "evidence_id": "EV-PDB-1DRE-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.6 }, "provenance": { "deposit_id": "1DRE", "doi": "10.1021/bi962337c", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1DRE" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "EOH", "MTX" ], "notes": "Entry-level ligand list; 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": "DIHYDROFOLATE REDUCTASE (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1DRB", "evidence_id": "EV-PDB-1DRB-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.96 }, "provenance": { "deposit_id": "1DRB", "doi": "10.1021/bi00222a028", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1DRB" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF UNLIGANDED ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. LIGAND-INDUCED CONFORMATIONAL CHANGES AND COOPERATIVITY IN BINDING" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "MTX" ], "notes": "Entry-level ligand list; 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": "DIHYDROFOLATE REDUCTASE (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1DHJ", "evidence_id": "EV-PDB-1DHJ-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "1DHJ", "doi": "10.1073/pnas.90.24.11753", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1DHJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "LONG-RANGE STRUCTURAL EFFECTS IN A SECOND-SITE REVERTANT OF A MUTANT DIHYDROFOLATE REDUCTASE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "MTX" ], "notes": "Entry-level ligand list; 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": "DIHYDROFOLATE REDUCTASE (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1DHI", "evidence_id": "EV-PDB-1DHI-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "1DHI", "doi": "10.1073/pnas.90.24.11753", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1DHI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "LONG-RANGE STRUCTURAL EFFECTS IN A SECOND-SITE REVERTANT OF A MUTANT DIHYDROFOLATE REDUCTASE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "MTX" ], "notes": "Entry-level ligand list; 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": "DIHYDROFOLATE REDUCTASE (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1DDS", "evidence_id": "EV-PDB-1DDS-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "1DDS", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1DDS" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "MOLECULE: DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH METHOTREXATE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "MTX", "URE" ], "notes": "Entry-level ligand list; 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": "DIHYDROFOLATE REDUCTASE (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1DDR", "evidence_id": "EV-PDB-1DDR-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.45 }, "provenance": { "deposit_id": "1DDR", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1DDR" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "MOLECULE: DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH METHOTREXATE AND UREA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CL", "FOL", "MN", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/45PC", "evidence_id": "EV-PDB-45PC-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 0.85 }, "provenance": { "deposit_id": "45PC", "doi": "10.64898/2026.09.17.752399", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/45PC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "6-conformation model of Escherichia coli dihydrofolate reductase at 100K" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "MTX" ], "notes": "Entry-level ligand list; 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": "DIHYDROFOLATE REDUCTASE (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4DFR", "evidence_id": "EV-PDB-4DFR-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "4DFR", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4DFR" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURES OF ESCHERICHIA COLI AND LACTOBACILLUS CASEI DIHYDROFOLATE REDUCTASE REFINED AT 1.7 ANGSTROMS RESOLUTION. I. GENERAL FEATURES AND BINDING OF METHOTREXATE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "PO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.4, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Dihydrofolate reductase (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4EJ1", "evidence_id": "EV-PDB-4EJ1-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.75 }, "provenance": { "deposit_id": "4EJ1", "doi": "10.1016/j.bbapap.2013.07.010", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4EJ1" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Binding of Nb113 camelid antibody fragment with the binary DHFR:folate complex" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "NAP" ], "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": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4FHB", "evidence_id": "EV-PDB-4FHB-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.8 }, "provenance": { "deposit_id": "4FHB", "doi": "10.1016/j.bbapap.2013.07.010", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4FHB" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Enhancing DHFR catalysis by binding of an allosteric regulator nanobody (Nb179)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "MTX", "NDP" ], "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": "Dihydrofolate reductase (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4GH8", "evidence_id": "EV-PDB-4GH8-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.85 }, "provenance": { "deposit_id": "4GH8", "doi": "10.1073/pnas.1307130110", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4GH8" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of a 'humanized' E. coli dihydrofolate reductase" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4I13", "evidence_id": "EV-PDB-4I13-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "4I13", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4I13" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Nanobody ca1697 binding to the DHFR.folate binary complex" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL" ], "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": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4I1N", "evidence_id": "EV-PDB-4I1N-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.888 }, "provenance": { "deposit_id": "4I1N", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4I1N" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "R104A-ca1697 nanobody binding to the binary DHFR.folate complex" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "BME", "FOL", "MN", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -0.15 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4NX6", "evidence_id": "EV-PDB-4NX6-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.35 }, "provenance": { "deposit_id": "4NX6", "doi": "10.1073/pnas.1323440111", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4NX6" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "single room temperature model of DHFR" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "BME", "FOL", "MN", "NAP" ], "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": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4NX7", "evidence_id": "EV-PDB-4NX7-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.15 }, "provenance": { "deposit_id": "4NX7", "doi": "10.1073/pnas.1323440111", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4NX7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "single cryogenic temperature model of DHFR" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "DHF", "MN", "NDP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": 17.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4PDJ", "evidence_id": "EV-PDB-4PDJ-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.599 }, "provenance": { "deposit_id": "4PDJ", "doi": "10.1073/pnas.1415856111", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4PDJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Neutron crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "BME", "FOL", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Dihydrofolate reductase (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4X5F", "evidence_id": "EV-PDB-4X5F-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "4X5F", "doi": "10.1107/S2059798318009397", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4X5F" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "ecDHFR complexed with folate and NADP+ at 0.1 MPa" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "BME", "FOL", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Dihydrofolate reductase (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4X5G", "evidence_id": "EV-PDB-4X5G-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "4X5G", "doi": "10.1107/S2059798318009397", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4X5G" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "ecDHFR complexed with folate and NADP+ at 270 MPa" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "BME", "FOL", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4X5H", "evidence_id": "EV-PDB-4X5H-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "4X5H", "doi": "10.1107/S2059798318009397", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4X5H" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "ecDHFR complexed with folate and NADP+ at 500 MPa" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "BME", "FOL", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4X5J", "evidence_id": "EV-PDB-4X5J-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.85 }, "provenance": { "deposit_id": "4X5J", "doi": "10.1107/S2059798318009397", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4X5J" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "ecDHFR complexed with folate and NADP+ at 750 MPa" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "DDF", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5CC9", "evidence_id": "EV-PDB-5CC9-1", "mappings": [ { "confidence": "medium", "justification": "Product analogue 5,10-dideazatetrahydrofolate (DDF) bound: occluded in E. coli DHFR.", "rule": "dhfr-ddthf-occluded", "state_id": "DHFR-occluded", "who": "rule:dhfr-ddthf-occluded" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.199 }, "provenance": { "deposit_id": "5CC9", "doi": "10.1021/jacs.5b05707", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5CC9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "L28F E.coli dihydrofolate reductase complexed with 5,10-dideazatetrahydrofolate and oxidized nicotinamide adenine dinucleotide phosphate" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "DDF", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5CCC", "evidence_id": "EV-PDB-5CCC-1", "mappings": [ { "confidence": "medium", "justification": "Product analogue 5,10-dideazatetrahydrofolate (DDF) bound: occluded in E. coli DHFR.", "rule": "dhfr-ddthf-occluded", "state_id": "DHFR-occluded", "who": "rule:dhfr-ddthf-occluded" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5 }, "provenance": { "deposit_id": "5CCC", "doi": "10.1021/jacs.5b05707", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5CCC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "wild-type E.coli dihydrofolate reductase complexed with 5,10-dideazatetrahydrofolate and oxidized nicotinamide adenine dinucleotide phosphate" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "DIHYDROFOLATE REDUCTASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5DFR", "evidence_id": "EV-PDB-5DFR-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "5DFR", "doi": "10.1021/bi00222a028", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5DFR" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF UNLIGANDED ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. LIGAND-INDUCED CONFORMATIONAL CHANGES AND COOPERATIVITY IN BINDING" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "FOL" ], "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": "Dihydrofolate reductase (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5EAJ", "evidence_id": "EV-PDB-5EAJ-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.701 }, "provenance": { "deposit_id": "5EAJ", "doi": "10.1021/acs.biochem.8b00424", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5EAJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of DHFR in 0% Isopropanol" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": -3.15 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5SSS", "evidence_id": "EV-PDB-5SSS-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.14 }, "provenance": { "deposit_id": "5SSS", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5SSS" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex at 270 K (crystal 1)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": -3.15 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5SST", "evidence_id": "EV-PDB-5SST-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.07 }, "provenance": { "deposit_id": "5SST", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5SST" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex at 270 K (crystal 2)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": -3.15 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5SSW", "evidence_id": "EV-PDB-5SSW-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.06 }, "provenance": { "deposit_id": "5SSW", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5SSW" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex at 270 K (multi-crystal)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "8CV", "BME", "EDO", "NA", "NAP" ], "notes": "Entry-level ligand list; 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": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5UIH", "evidence_id": "EV-PDB-5UIH-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.647 }, "provenance": { "deposit_id": "5UIH", "doi": "10.1021/acs.biochem.7b00619", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5UIH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "structure of DHFR with bound phenformin and NADP" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "BFR", "CA", "NA", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.8, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5UII", "evidence_id": "EV-PDB-5UII-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.351 }, "provenance": { "deposit_id": "5UII", "doi": "10.1021/acs.biochem.7b00619", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5UII" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "structure of DHFR with bound buformin and NADP" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "NDP" ], "notes": "Entry-level ligand list; 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": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5W3Q", "evidence_id": "EV-PDB-5W3Q-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.401 }, "provenance": { "deposit_id": "5W3Q", "doi": "10.1021/jacs.7b05958", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5W3Q" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "L28F E.coli DHFR in complex with NADPH" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": 23.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5Z6F", "evidence_id": "EV-PDB-5Z6F-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.801 }, "provenance": { "deposit_id": "5Z6F", "doi": "10.1107/S2059798318009397", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5Z6F" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "High-pressure Crystal Structure Analysis of DHFR(0.1 MPa)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": 23.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5Z6M", "evidence_id": "EV-PDB-5Z6M-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.202 }, "provenance": { "deposit_id": "5Z6M", "doi": "10.1107/S2059798318009397", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5Z6M" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "High-pressure Crystal Structure Analysis of M20 loop closed DHFR at 800 MPa" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PQD", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 3.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6CQA", "evidence_id": "EV-PDB-6CQA-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "6CQA", "doi": "10.1038/s42003-018-0236-y", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6CQA" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "E. coli DHFR complex with inhibitor AMPQD" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CL", "MG", "THG" ], "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": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6CW7", "evidence_id": "EV-PDB-6CW7-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.03 }, "provenance": { "deposit_id": "6CW7", "doi": "10.1038/s42003-018-0236-y", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6CW7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "E. coli DHFR product complex with (6S)-5,6,7,8-TETRAHYDROFOLATE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CL", "DHF", "MG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6CXK", "evidence_id": "EV-PDB-6CXK-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.108 }, "provenance": { "deposit_id": "6CXK", "doi": "10.1038/s42003-018-0236-y", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6CXK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "E. coli DHFR substrate complex with Dihydrofolate" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "DHF", "NAP" ], "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": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6CYV", "evidence_id": "EV-PDB-6CYV-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.3 }, "provenance": { "deposit_id": "6CYV", "doi": "10.1038/s42003-018-0236-y", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6CYV" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "E. coli DHFR ternary complex with NADP and dihydrofolate" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CL", "MG", "THG" ], "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": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6MR9", "evidence_id": "EV-PDB-6MR9-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.35 }, "provenance": { "deposit_id": "6MR9", "doi": "10.1063/1.5086436", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6MR9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "E. coli DHFR complex with a reaction intermediate" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CL", "DHF", "MG", "THG" ], "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": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6MT8", "evidence_id": "EV-PDB-6MT8-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.35 }, "provenance": { "deposit_id": "6MT8", "doi": "10.1063/1.5086436", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6MT8" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "E. coli DHFR complex modeled with two ligand states" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CL", "DHF", "MG", "THG" ], "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": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6MTH", "evidence_id": "EV-PDB-6MTH-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.35 }, "provenance": { "deposit_id": "6MTH", "doi": "10.1063/1.5086436", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6MTH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "E. coli DHFR complex modeled with three ligand states" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "NDP", "PGE", "TOP" ], "notes": "Entry-level ligand list; 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": "GFP-LAMA-F98 a GFP enhancer nanobody with cpDHFR insertion,Dihydrofolate reductase,GFP-LAMA-F98 a GFP enhancer nanobody with cpDHFR insertion,Dihydrofolate reductase,Dihydrofolate reductase,GFP-LAMA-F98 a GFP enhancer nanobody with cpDHFR insertion,Dihydrofolate reductase,GFP-LAMA-F98 a GFP enhancer nanobody with cpDHFR insertion (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6RUL", "evidence_id": "EV-PDB-6RUL-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "6RUL", "doi": "10.1038/s41592-020-0746-7", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6RUL" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of GFP-LAMA-F98 - a GFP enhancer nanobody with cpDHFR insertion and TMP and NADPH" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "NAP" ], "notes": "Entry-level ligand list; 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": "DIHYDROFOLATE REDUCTASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6DFR", "evidence_id": "EV-PDB-6DFR-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.4 }, "provenance": { "deposit_id": "6DFR", "doi": "10.1021/bi00465a018", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6DFR" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. THE NADP+ HOLOENZYME AND THE FOLATE(DOT)NADP+ TERNARY COMPLEX. SUBSTRATE BINDING AND A MODEL FOR THE TRANSITION STATE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": 23.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5Z6L", "evidence_id": "EV-PDB-5Z6L-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "5Z6L", "doi": "10.1107/S2059798318009397", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5Z6L" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "High-pressure Crystal Structure Analysis of M20 loop closed DHFR at 650 MPa" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": 23.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5Z6K", "evidence_id": "EV-PDB-5Z6K-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.802 }, "provenance": { "deposit_id": "5Z6K", "doi": "10.1107/S2059798318009397", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5Z6K" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "High-pressure Crystal Structure Analysis of M20 loop closed DHFR at 400 MPa" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": 23.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5Z6J", "evidence_id": "EV-PDB-5Z6J-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.803 }, "provenance": { "deposit_id": "5Z6J", "doi": "10.1107/S2059798318009397", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5Z6J" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "High-pressure Crystal Structure Analysis of M20 loop closed DHFR at 220 MPa" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "FOL", "IPA" ], "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": "Dihydrofolate reductase (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5UJX", "evidence_id": "EV-PDB-5UJX-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "5UJX", "doi": "10.1021/acs.biochem.8b00424", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5UJX" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of DHFR in 20% Isopropanol" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "8DM", "LG3", "NA", "NAP" ], "notes": "Entry-level ligand list; 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": "Dihydrofolate reductase (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5UIP", "evidence_id": "EV-PDB-5UIP-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "5UIP", "doi": "10.1021/acs.biochem.7b00619", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5UIP" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "structure of DHFR with bound DAP, p-ABG and NADP" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "8DM", "BME", "FMT", "LG3", "NAP" ], "notes": "Entry-level ligand list; 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": "Dihydrofolate reductase (chains A,B,C,D,E)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5UIO", "evidence_id": "EV-PDB-5UIO-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.929 }, "provenance": { "deposit_id": "5UIO", "doi": "10.1021/acs.biochem.7b00619", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5UIO" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "structure of DHFR with bound DAP, p-ABG and NADP" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": -3.15 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5SSV", "evidence_id": "EV-PDB-5SSV-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.08 }, "provenance": { "deposit_id": "5SSV", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5SSV" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex at 270 K (crystal 4)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": -3.15 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5SSU", "evidence_id": "EV-PDB-5SSU-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.12 }, "provenance": { "deposit_id": "5SSU", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5SSU" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex at 270 K (crystal 3)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "CL", "FOL", "IPA" ], "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": "Dihydrofolate reductase (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5E8Q", "evidence_id": "EV-PDB-5E8Q-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "5E8Q", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5E8Q" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of DHFR in 20% Isopropanol" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "BME", "FOL", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4X5I", "evidence_id": "EV-PDB-4X5I-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "4X5I", "doi": "10.1107/S2059798318009397", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4X5I" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "ecDHFR complexed with folate and NADP+ at 660 MPa" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -0.15 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4KJL", "evidence_id": "EV-PDB-4KJL-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.38 }, "provenance": { "deposit_id": "4KJL", "doi": "10.1038/nmeth.2592", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4KJL" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Room Temperature N23PPS148A DHFR" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "FOL", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -0.15 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4KJK", "evidence_id": "EV-PDB-4KJK-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.351 }, "provenance": { "deposit_id": "4KJK", "doi": "10.1038/nmeth.2592", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4KJK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Room Temperature WT DHFR" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "NAP" ], "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": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4KJJ", "evidence_id": "EV-PDB-4KJJ-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.15 }, "provenance": { "deposit_id": "4KJJ", "doi": "10.1038/nmeth.2592", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4KJJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Cryogenic WT DHFR" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.6, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Dihydrofolate reductase (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4EIZ", "evidence_id": "EV-PDB-4EIZ-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "4EIZ", "doi": "10.1016/j.bbapap.2013.07.010", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4EIZ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of Nb113 bound to apoDHFR" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4EIG", "evidence_id": "EV-PDB-4EIG-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.5 }, "provenance": { "deposit_id": "4EIG", "doi": "10.1016/j.bbapap.2013.07.010", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4EIG" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CA1698 camel antibody fragment in complex with DHFR" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CL", "NDP", "PEG", "PG4", "TOP" ], "notes": "Entry-level ligand list; 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": "GFP-LAMA-G97 a GFP enhancer nanobody with cpDHFR insertion (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6RUM", "evidence_id": "EV-PDB-6RUM-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "6RUM", "doi": "10.1038/s41592-020-0746-7", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6RUM" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of GFP-LAMA-G97 - a GFP enhancer nanobody with cpDHFR insertion and TMP and NADPH" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CL", "GOL", "NDP", "TOP" ], "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": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6XG4", "evidence_id": "EV-PDB-6XG4-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "6XG4", "doi": "10.1038/s41467-021-23191-z", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6XG4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "X-ray structure of Escherichia coli dihydrofolate reductase L28R mutant in complex with trimethoprim" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CL", "GOL", "NDP", "TOP" ], "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": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6XG5", "evidence_id": "EV-PDB-6XG5-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "6XG5", "doi": "10.1038/s41467-021-23191-z", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6XG5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "X-ray structure of Escherichia coli dihydrofolate reductase in complex with trimethoprim" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "NAP" ], "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": 17.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7D3Z", "evidence_id": "EV-PDB-7D3Z-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.65 }, "provenance": { "deposit_id": "7D3Z", "doi": "10.1021/acscatal.1c00417", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7D3Z" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH4.5" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "NAP" ], "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": 17.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7D49", "evidence_id": "EV-PDB-7D49-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.651 }, "provenance": { "deposit_id": "7D49", "doi": "10.1021/acscatal.1c00417", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7D49" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH4.5" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": 17.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7D4L", "evidence_id": "EV-PDB-7D4L-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "7D4L", "doi": "10.1021/acscatal.1c00417", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7D4L" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH7.0" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": 17.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7D4X", "evidence_id": "EV-PDB-7D4X-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.599 }, "provenance": { "deposit_id": "7D4X", "doi": "10.1021/acscatal.1c00417", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7D4X" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH7.0" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 17.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7D6G", "evidence_id": "EV-PDB-7D6G-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.65 }, "provenance": { "deposit_id": "7D6G", "doi": "10.1021/acscatal.1c00417", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7D6G" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Neutron crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH4.5" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "D4C", "GOL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 3.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7F3B", "evidence_id": "EV-PDB-7F3B-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.81 }, "provenance": { "deposit_id": "7F3B", "doi": "10.1016/j.ejmech.2021.113979", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7F3B" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 6.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FPL", "evidence_id": "EV-PDB-7FPL-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.17 }, "provenance": { "deposit_id": "7FPL", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FPL" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex at 280 K (crystal 1)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 6.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FPM", "evidence_id": "EV-PDB-7FPM-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.04 }, "provenance": { "deposit_id": "7FPM", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FPM" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex at 280 K (crystal 2)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 6.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FPN", "evidence_id": "EV-PDB-7FPN-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.04 }, "provenance": { "deposit_id": "7FPN", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FPN" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex at 280 K (crystal 3)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 6.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FPO", "evidence_id": "EV-PDB-7FPO-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.06 }, "provenance": { "deposit_id": "7FPO", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FPO" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex at 280 K (crystal 4)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 6.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FPP", "evidence_id": "EV-PDB-7FPP-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.03 }, "provenance": { "deposit_id": "7FPP", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FPP" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex at 280 K (crystal 5)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 6.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FPQ", "evidence_id": "EV-PDB-7FPQ-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.03 }, "provenance": { "deposit_id": "7FPQ", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FPQ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex at 280 K (multi-crystal)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 16.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FPR", "evidence_id": "EV-PDB-7FPR-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.07 }, "provenance": { "deposit_id": "7FPR", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FPR" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex at 290 K (crystal 1)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 16.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FPS", "evidence_id": "EV-PDB-7FPS-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.26 }, "provenance": { "deposit_id": "7FPS", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FPS" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex at 290 K (crystal 2)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 16.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FPT", "evidence_id": "EV-PDB-7FPT-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.07 }, "provenance": { "deposit_id": "7FPT", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FPT" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex at 290 K (crystal 3)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 16.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FPU", "evidence_id": "EV-PDB-7FPU-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.05 }, "provenance": { "deposit_id": "7FPU", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FPU" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex at 290 K (crystal 4)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 16.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FPV", "evidence_id": "EV-PDB-7FPV-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.04 }, "provenance": { "deposit_id": "7FPV", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FPV" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex at 290 K (crystal 5)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 16.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FPW", "evidence_id": "EV-PDB-7FPW-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.04 }, "provenance": { "deposit_id": "7FPW", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FPW" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex at 290 K (multi-crystal)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 26.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FPX", "evidence_id": "EV-PDB-7FPX-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.06 }, "provenance": { "deposit_id": "7FPX", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FPX" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex at 300 K (crystal 1)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 26.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FPY", "evidence_id": "EV-PDB-7FPY-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.12 }, "provenance": { "deposit_id": "7FPY", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FPY" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex at 300 K (crystal 2)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 26.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FPZ", "evidence_id": "EV-PDB-7FPZ-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.32 }, "provenance": { "deposit_id": "7FPZ", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FPZ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex at 300 K (crystal 3)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 26.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FQ0", "evidence_id": "EV-PDB-7FQ0-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.15 }, "provenance": { "deposit_id": "7FQ0", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FQ0" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex at 300 K (crystal 4)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 26.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FQ1", "evidence_id": "EV-PDB-7FQ1-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.18 }, "provenance": { "deposit_id": "7FQ1", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FQ1" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex at 300 K (crystal 5)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 26.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FQ2", "evidence_id": "EV-PDB-7FQ2-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.07 }, "provenance": { "deposit_id": "7FQ2", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FQ2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex at 300 K (multi-crystal)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 36.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FQ3", "evidence_id": "EV-PDB-7FQ3-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.3 }, "provenance": { "deposit_id": "7FQ3", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FQ3" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex at 310 K (crystal 1)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 36.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FQ4", "evidence_id": "EV-PDB-7FQ4-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.33 }, "provenance": { "deposit_id": "7FQ4", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FQ4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex at 310 K (crystal 2)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 36.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FQ5", "evidence_id": "EV-PDB-7FQ5-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.35 }, "provenance": { "deposit_id": "7FQ5", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FQ5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex at 310 K (crystal 3)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 36.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FQ6", "evidence_id": "EV-PDB-7FQ6-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.29 }, "provenance": { "deposit_id": "7FQ6", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FQ6" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex at 310 K (multi-crystal)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 21.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FQ7", "evidence_id": "EV-PDB-7FQ7-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.1 }, "provenance": { "deposit_id": "7FQ7", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FQ7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex (crystal 1, pass 1, 295 K)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 36.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FQ8", "evidence_id": "EV-PDB-7FQ8-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.21 }, "provenance": { "deposit_id": "7FQ8", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FQ8" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex (crystal 1, pass 2, 310 K)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 21.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FQ9", "evidence_id": "EV-PDB-7FQ9-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.11 }, "provenance": { "deposit_id": "7FQ9", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FQ9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex (crystal 1, pass 3, 295 K)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 6.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FQA", "evidence_id": "EV-PDB-7FQA-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.08 }, "provenance": { "deposit_id": "7FQA", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FQA" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex (crystal 1, pass 4, 280 K)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 21.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FQB", "evidence_id": "EV-PDB-7FQB-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.14 }, "provenance": { "deposit_id": "7FQB", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FQB" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex (crystal 1, pass 5, 295 K)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 21.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FQC", "evidence_id": "EV-PDB-7FQC-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.18 }, "provenance": { "deposit_id": "7FQC", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FQC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex (crystal 2, pass 1, 295 K)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 6.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FQD", "evidence_id": "EV-PDB-7FQD-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.17 }, "provenance": { "deposit_id": "7FQD", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FQD" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex (crystal 2, pass 2, 280 K)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 21.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FQE", "evidence_id": "EV-PDB-7FQE-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.18 }, "provenance": { "deposit_id": "7FQE", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FQE" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex (crystal 2, pass 3, 295 K)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 36.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FQF", "evidence_id": "EV-PDB-7FQF-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.23 }, "provenance": { "deposit_id": "7FQF", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FQF" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex (crystal 2, pass 4, 310 K)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "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": 21.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7FQG", "evidence_id": "EV-PDB-7FQG-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.19 }, "provenance": { "deposit_id": "7FQG", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7FQG" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DHFR:NADP+:FOL complex (crystal 2, pass 5, 295 K)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": 21.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7LVC", "evidence_id": "EV-PDB-7LVC-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "7LVC", "doi": "10.1107/S2059798322006799", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7LVC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "E. coli DHFR by Native Mn,P,S-SAD at Room Temperature" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4", "ZM4" ], "notes": "Entry-level ligand list; 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": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7MQP", "evidence_id": "EV-PDB-7MQP-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "7MQP", "doi": "10.1038/s42003-022-03384-y", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7MQP" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "E. coli dihydrofolate reductase complexed with 4'-chloro-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-[1,1'-biphenyl]-4-carboxamide (UCP1228)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ARG", "NAP", "SO4", "TOP" ], "notes": "Entry-level ligand list; 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": "Dihydrofolate reductase (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7MYM", "evidence_id": "EV-PDB-7MYM-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.04 }, "provenance": { "deposit_id": "7MYM", "doi": "10.1038/s42003-022-03384-y", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7MYM" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of Escherichia coli dihydrofolate reductase in complex with TRIMETHOPRIM and NADPH" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4", "TOP" ], "notes": "Entry-level ligand list; 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": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7NAE", "evidence_id": "EV-PDB-7NAE-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.35 }, "provenance": { "deposit_id": "7NAE", "doi": "10.1038/s42003-022-03384-y", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7NAE" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of Escherichia coli dihydrofolate reductase in complex with TRIMETHOPRIM" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "560", "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": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7REB", "evidence_id": "EV-PDB-7REB-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.91 }, "provenance": { "deposit_id": "7REB", "doi": "10.1038/s42003-022-03384-y", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7REB" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "E. coli dihydrofolate reductase complexed with 5-(3-(7-(4-(aminomethyl)phenyl)benzo[d][1,3]dioxol-5-yl)but-1-yn-1-yl)-6-ethylpyrimidine-2,4-diamine (UCP1223)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "MN", "NAP", "R6F" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": 11.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8DAI", "evidence_id": "EV-PDB-8DAI-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.14 }, "provenance": { "deposit_id": "8DAI", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8DAI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "E. coli DHFR complex with NADP+ and 10-methylfolate" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": 4.85 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8G4Z", "evidence_id": "EV-PDB-8G4Z-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "8G4Z", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8G4Z" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "E. coli DHFR complex with NADP+ and folate: EF-X off model by Laue diffraction (no electric field)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": 4.85 }, "construct": { "description": "Dihydrofolate reductase (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8G50", "evidence_id": "EV-PDB-8G50-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "8G50", "doi": "10.1073/pnas.2313192121", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8G50" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "E. coli DHFR complex with NADP+ and folate: EF-X excited state model by Laue diffraction (electric field along b axis; 8-fold extrapolation of structure factor differences)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "NAP" ], "notes": "Entry-level ligand list; 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": "DIHYDROFOLATE REDUCTASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7DFR", "evidence_id": "EV-PDB-7DFR-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.5 }, "provenance": { "deposit_id": "7DFR", "doi": "10.1021/bi00465a018", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7DFR" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. THE NADP+ HOLOENZYME AND THE FOLATE(DOT)NADP+ TERNARY COMPLEX. SUBSTRATE BINDING AND A MODEL FOR THE TRANSITION STATE" }, { "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": "sfGFP (chains G)", "labels": [] }, "data_format": "mmCIF + EMDB map", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8HCO", "evidence_id": "EV-PDB-8HCO-6", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 4.1 }, "provenance": { "deposit_id": "8HCO", "doi": "10.1038/s41594-023-01103-7", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8HCO" }, "reader": null, "source_kind": "deposit", "technique": "cryoem", "title": "Substrate-engaged TOM complex from yeast" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8UW0", "evidence_id": "EV-PDB-8UW0-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 0.93 }, "provenance": { "deposit_id": "8UW0", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8UW0" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Escherichia coli DHFR bound to NADP+ and folate, 17.2 MGy dose" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ADP", "ATP", "MG", "MTX" ], "notes": "Entry-level ligand list; 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": "Dihydrofolate reductase (chains S)", "labels": [] }, "data_format": "mmCIF + EMDB map", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8V9R", "evidence_id": "EV-PDB-8V9R-2", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.8 }, "provenance": { "deposit_id": "8V9R", "doi": "10.1038/s41467-024-53681-9", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8V9R" }, "reader": null, "source_kind": "deposit", "technique": "cryoem", "title": "Cryo-EM Structure of a Proteolytic ClpXP AAA+ Machine Poised to Unfold a Branched-Degron DHFR-ssrA Substrate Bound with MTX" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "NAP" ], "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": "Dihydrofolate reductase (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8VZ4", "evidence_id": "EV-PDB-8VZ4-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.25 }, "provenance": { "deposit_id": "8VZ4", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8VZ4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "L54G Mutant of E. coli Dihydrofolate Reductase Complexed with Nicotinamide Adenine Dinucleotide Phosphate (oxidized form)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ADP", "ATP", "MG", "MTX" ], "notes": "Entry-level ligand list; 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": "Dihydrofolate reductase (chains S)", "labels": [] }, "data_format": "mmCIF + EMDB map", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9C87", "evidence_id": "EV-PDB-9C87-2", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.7 }, "provenance": { "deposit_id": "9C87", "doi": "10.1038/s41467-024-53681-9", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9C87" }, "reader": null, "source_kind": "deposit", "technique": "cryoem", "title": "Cryo-EM Structure of a Proteolytic ClpXP AAA+ Machine Poised to Unfold a Linear-Degron DHFR-ssrA Substrate Bound with MTX" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1A3E" ], "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": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9DAQ", "evidence_id": "EV-PDB-9DAQ-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.35 }, "provenance": { "deposit_id": "9DAQ", "doi": "10.1021/acsinfecdis.4c00768", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9DAQ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of E. coli dihydrofolate reductase (DHFR) in an occluded conformation and in complex with a cycloguanil derivative" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "1CY", "FLC" ], "notes": "Entry-level ligand list; 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": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9DAR", "evidence_id": "EV-PDB-9DAR-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.17 }, "provenance": { "deposit_id": "9DAR", "doi": "10.1021/acsinfecdis.4c00768", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9DAR" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of E. coli dihydrofolate reductase (DHFR) in an occluded conformation and in complex with cycloguanil" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1EHX", "MG", "NDP" ], "notes": "Entry-level ligand list; 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": "Dihydrofolate reductase (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KZ4", "evidence_id": "EV-PDB-9KZ4-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.708 }, "provenance": { "deposit_id": "9KZ4", "doi": "10.1016/j.bpj.2026.06.033", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KZ4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Dihydrofolate reductase binding to NADPH and trimethoprim-tetramethylrhodamine" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "MN" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9NJO", "evidence_id": "EV-PDB-9NJO-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "9NJO", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9NJO" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Y100F Mutant of E. coli Dihydrofolate Reductase" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "FOL", "NAP" ], "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": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9PWK", "evidence_id": "EV-PDB-9PWK-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.51 }, "provenance": { "deposit_id": "9PWK", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9PWK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "P21A Mutant of E. coli Dihydrofolate Reductase Complexed with Folate and Nicotinamide Adenine Dinucleotide Phosphate (oxidized form)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9PWM", "evidence_id": "EV-PDB-9PWM-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 0.89 }, "provenance": { "deposit_id": "9PWM", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9PWM" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Dihydrofolate Reductase Complexed with Folate and Nicotinamide Adenine Dinucleotide Phosphate (Oxidized Form)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9ZHM", "evidence_id": "EV-PDB-9ZHM-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.07 }, "provenance": { "deposit_id": "9ZHM", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9ZHM" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "M20E Mutant of E. coli Dihydrofolate Reductase Complexed with Nicotinamide Adenine Dinucleotide Phosphate (oxidized form)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9PXD", "evidence_id": "EV-PDB-9PXD-1", "mappings": [ { "confidence": "medium", "justification": "Folate with NADP+ bound: the Michaelis-complex mimic, closed in E. coli DHFR.", "rule": "dhfr-folate-nadp-closed", "state_id": "DHFR-closed", "who": "rule:dhfr-folate-nadp-closed" } ], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.07 }, "provenance": { "deposit_id": "9PXD", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9PXD" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "M20A Mutant of E. coli Dihydrofolate Reductase Complexed with Folate and Nicotinamide Adenine Dinucleotide Phosphate (oxidized form)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "NAP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9PXC", "evidence_id": "EV-PDB-9PXC-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.37 }, "provenance": { "deposit_id": "9PXC", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9PXC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Y100F Mutant of E. coli Dihydrofolate Reductase Complexed with NADP+ (oxidized form)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FOL", "MN" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Dihydrofolate reductase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8UCX", "evidence_id": "EV-PDB-8UCX-1", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.57 }, "provenance": { "deposit_id": "8UCX", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8UCX" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Dihydrofolate Reductase Complexed with Folate" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 6.8, "salt_mM": null, "temperature_c": 34.85 }, "construct": { "description": "BMRB data: 13C chemical shifts, 15N chemical shifts, 1H chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=11492", "evidence_id": "EV-BMRB-11492", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr11492", "doi": "10.13018/BMR11492", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=11492" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Dihydrofolate Reductase from E.coli G67 deletion mutant" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 7.0, "salt_mM": null, "temperature_c": 34.85 }, "construct": { "description": "BMRB data: 13C chemical shifts, 15N chemical shifts, 1H chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=25019", "evidence_id": "EV-BMRB-25019", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr25019", "doi": "10.13018/BMR25019", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=25019" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Sequential backbone HN, N, Ca and Cb assignments of E.coli dihydrofolate reductase-folate binary complex at pH 7.0 and 308 K" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 7.6, "salt_mM": null, "temperature_c": 8.85 }, "construct": { "description": "BMRB data: 1H chemical shifts, 13C chemical shifts, 15N chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=4554", "evidence_id": "EV-BMRB-4554", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr4554", "doi": "10.13018/BMR4554", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=4554" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Backbone HN, N, Ca, C' and Cb assignments of the 19 kDa DHFR/NADPH complex at 9C and pH 7.6" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": null, "salt_mM": null, "temperature_c": 33.25 }, "construct": { "description": "BMRB data: 1H chemical 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"description": "BMRB data: 13C chemical shifts, 15N chemical shifts, 1H chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=5741", "evidence_id": "EV-BMRB-5741", "mappings": [], "molecule_id": "P0ABQ4", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr5741", "doi": "10.13018/BMR5741", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=5741" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Backbone 1NH, 13C and 15N Chemical shift assignments for the ternary DHFR:FOLATE:DHNADPH complex" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "DisProt annotations do not record sample conditions.", "ph": null, "salt_mM": 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