{ "conflicts": [], "coverage": { "cells": { "Abl-DFG-out": { "af_prediction": 0, "md": 0, "nmr_shifts": 0, "nmr_structure": 0, "xray": 7 }, "Abl-Src-like-inactive": { "af_prediction": 0, "md": 0, "nmr_shifts": 0, "nmr_structure": 0, "xray": 1 }, "Abl-active": { "af_prediction": 0, "md": 0, "nmr_shifts": 0, "nmr_structure": 0, "xray": 2 }, "Abl-autoinhibited": { "af_prediction": 0, "md": 0, "nmr_shifts": 0, "nmr_structure": 0, "xray": 2 } }, "data_levels": { "Abl-DFG-out": { "xray": "processed" }, "Abl-Src-like-inactive": { "xray": "processed" }, "Abl-active": { "xray": "processed" }, "Abl-autoinhibited": { "xray": "processed" } }, "single_method_states": [ "Abl-DFG-out", "Abl-active", "Abl-Src-like-inactive", "Abl-autoinhibited" ], "states": [ "Abl-DFG-out", "Abl-active", "Abl-Src-like-inactive", "Abl-autoinhibited" ], "techniques": [ "xray", "nmr_structure", "nmr_shifts", "af_prediction", "md" ], "unmapped_evidence": 115 }, "curation": { "as_of": "2026-10-19", "curator": "draft (unreviewed)", "file": "P00519.yaml", "status": "draft" }, "evidence": [ { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 3.1, "salt_mM": null, "temperature_c": -153.15 }, "construct": { "description": "ABL TYROSINE KINASE (chains A,C,E,G)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BBZ", "evidence_id": "EV-PDB-1BBZ-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.65 }, "provenance": { "deposit_id": "1BBZ", "doi": "10.1006/jmbi.1998.1932", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BBZ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF THE ABL-SH3 DOMAIN COMPLEXED WITH A DESIGNED HIGH-AFFINITY PEPTIDE LIGAND: IMPLICATIONS FOR SH3-LIGAND INTERACTIONS" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.3, "salt_mM": null, "temperature_c": 21.85 }, "construct": { "description": "Proto-oncogene tyrosine-protein kinase ABL1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1ZZP", "evidence_id": "EV-PDB-1ZZP-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1ZZP", "doi": "10.1016/j.molcel.2005.06.030", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1ZZP" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Solution structure of the F-actin binding domain of Bcr-Abl/c-Abl" }, { "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": 19.85 }, "construct": { "description": "ABL TYROSINE KINASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2ABL", "evidence_id": "EV-PDB-2ABL-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.5 }, "provenance": { "deposit_id": "2ABL", "doi": "10.1016/S0969-2126(96)00116-5", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2ABL" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "SH3-SH2 DOMAIN FRAGMENT OF HUMAN BCR-ABL TYROSINE KINASE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "STI" ], "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": "Proto-oncogene tyrosine-protein kinase ABL1 (chains A,B,C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2HYY", "evidence_id": "EV-PDB-2HYY-1", "mappings": [ { "confidence": "high", "justification": "Human Abl kinase domain with imatinib (STI).", "rule": "curator_assignment", "state_id": "Abl-DFG-out", "who": "curator:draft (unreviewed)" } ], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.4 }, "provenance": { "deposit_id": "2HYY", "doi": "10.1107/S0907444906047287", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2HYY" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human Abl kinase domain in complex with imatinib (STI571, Glivec)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "JIN" ], "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": "Proto-oncogene tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2HZI", "evidence_id": "EV-PDB-2HZI-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "2HZI", "doi": "10.1107/S0907444906047287", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2HZI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Abl kinase domain in complex with PD180970" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "627", "MG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2V7A", "evidence_id": "EV-PDB-2V7A-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.5 }, "provenance": { "deposit_id": "2V7A", "doi": "10.1158/0008-5472.CAN-07-1825", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2V7A" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the T315I Abl mutant in complex with the inhibitor PHA-739358" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Proto-oncogene tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3K2M", "evidence_id": "EV-PDB-3K2M-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.75 }, "provenance": { "deposit_id": "3K2M", "doi": "10.1038/nsmb.1793", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3K2M" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of Monobody HA4/Abl1 SH2 Domain Complex" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2PE", "3YY", "GOL", "SO4", "STI" ], "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": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3PYY", "evidence_id": "EV-PDB-3PYY-1", "mappings": [ { "confidence": "medium", "justification": "Imatinib (STI) or nilotinib (NIL) bound; type II inhibitors bind the DFG-out conformation.", "rule": "abl-type2-dfg-out", "state_id": "Abl-DFG-out", "who": "rule:abl-type2-dfg-out" } ], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.85 }, "provenance": { "deposit_id": "3PYY", "doi": "10.1016/j.chembiol.2010.12.013", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3PYY" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Discovery and Characterization of a Cell-Permeable, Small-molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "919", "NA" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.2, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3QRI", "evidence_id": "EV-PDB-3QRI-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "3QRI", "doi": "10.1016/j.ccr.2011.03.003", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3QRI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "The crystal structure of human abl1 kinase domain in complex with DCC-2036" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "919" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.1, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3QRJ", "evidence_id": "EV-PDB-3QRJ-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.82 }, "provenance": { "deposit_id": "3QRJ", "doi": "10.1016/j.ccr.2011.03.003", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3QRJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "The crystal structure of human abl1 kinase domain T315I mutant in complex with DCC-2036" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "9DP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.2, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3QRK", "evidence_id": "EV-PDB-3QRK-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "3QRK", "doi": "10.1016/j.ccr.2011.03.003", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3QRK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "The crystal structure of human abl1 kinase domain in complex with DP-987" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "AXI", "NA", "NI" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4TWP", "evidence_id": "EV-PDB-4TWP-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.4 }, "provenance": { "deposit_id": "4TWP", "doi": "10.1038/nature14119", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4TWP" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "The crystal structure of human abl1 T315I gatekeeper mutant kinase domain in complex with axitinib" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "1N1" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4XEY", "evidence_id": "EV-PDB-4XEY-1", "mappings": [ { "confidence": "medium", "justification": "Dasatinib (1N1) bound; it binds the active, DFG-in conformation.", "rule": "abl-dasatinib-active", "state_id": "Abl-active", "who": "rule:abl-dasatinib-active" } ], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.891 }, "provenance": { "deposit_id": "4XEY", "doi": "10.1042/BJ20141492", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4XEY" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of an SH2-kinase domain construct of c-Abl tyrosine kinase" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "AXI" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.4, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4WA9", "evidence_id": "EV-PDB-4WA9-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "4WA9", "doi": "10.1038/nature14119", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4WA9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "The crystal structure of human abl1 wild type kinase domain in complex with axitinib" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "NA", "PEG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4JJD", "evidence_id": "EV-PDB-4JJD-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "4JJD", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4JJD" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the N114A Abl-SH3 domain mutant at pH4" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PEG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4JJC", "evidence_id": "EV-PDB-4JJC-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "4JJC", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4JJC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the Abl-SH3 domain at pH5" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PEG", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 3.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4JJB", "evidence_id": "EV-PDB-4JJB-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.65 }, "provenance": { "deposit_id": "4JJB", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4JJB" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the Abl-SH3 domain at pH3" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A,C,E)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4J9I", "evidence_id": "EV-PDB-4J9I-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "4J9I", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4J9I" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P17" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A,B,C,D,E,F)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4J9H", "evidence_id": "EV-PDB-4J9H-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "4J9H", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4J9H" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P7 at pH 8" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A,C,E)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4J9G", "evidence_id": "EV-PDB-4J9G-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "4J9G", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4J9G" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P7 at pH7" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A,C,E)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4J9F", "evidence_id": "EV-PDB-4J9F-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.094 }, "provenance": { "deposit_id": "4J9F", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4J9F" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the Abl-SH3 domain complexed with the high affinity peptide P0" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A,C,E)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4J9E", "evidence_id": "EV-PDB-4J9E-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.4 }, "provenance": { "deposit_id": "4J9E", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4J9E" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the N114A mutant of the Abl-SH3 domain complexed with the high affinity peptide P17" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A,C,E)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4J9D", "evidence_id": "EV-PDB-4J9D-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5 }, "provenance": { "deposit_id": "4J9D", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4J9D" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the N114A mutant of the Abl-SH3 domain complexed with the high affinity peptide P0" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PEG", "PGE" ], "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": "Tyrosine-protein kinase ABL1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4J9C", "evidence_id": "EV-PDB-4J9C-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.051 }, "provenance": { "deposit_id": "4J9C", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4J9C" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the Abl-SH3 domain H59Q-N96T mutant complexed with the designed high-affinity peptide ligand P17" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PEG" ], "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": "Tyrosine-protein kinase ABL1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4J9B", "evidence_id": "EV-PDB-4J9B-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.702 }, "provenance": { "deposit_id": "4J9B", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4J9B" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the Abl-SH3 domain H59Q-N96T mutant" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3UYO", "evidence_id": "EV-PDB-3UYO-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.83 }, "provenance": { "deposit_id": "3UYO", "doi": "10.1016/j.jmb.2011.12.019", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3UYO" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of monobody SH13/ABL1 SH2 domain complex" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "DB8" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.5, "salt_mM": null, "temperature_c": -196.15 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3UE4", "evidence_id": "EV-PDB-3UE4-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.424 }, "provenance": { "deposit_id": "3UE4", "doi": "10.1371/journal.pone.0029828", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3UE4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structural and spectroscopic analysis of the kinase inhibitor bosutinib binding to the Abl tyrosine kinase domain" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3T04", "evidence_id": "EV-PDB-3T04-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "3T04", "doi": "10.1016/j.cell.2011.08.046", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3T04" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of monobody 7c12/abl1 sh2 domain complex" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Proto-oncogene tyrosine-protein kinase ABL1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3EGU", "evidence_id": "EV-PDB-3EGU-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.25 }, "provenance": { "deposit_id": "3EGU", "doi": "10.1074/jbc.M109.048033", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3EGU" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the N114A mutant of ABL-SH3 domain" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 3.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Proto-oncogene tyrosine-protein kinase ABL1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3EG3", "evidence_id": "EV-PDB-3EG3-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.4 }, "provenance": { "deposit_id": "3EG3", "doi": "10.1074/jbc.M109.048033", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3EG3" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the N114A mutant of ABL-SH3 domain" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 3.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Proto-oncogene tyrosine-protein kinase ABL1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3EG2", "evidence_id": "EV-PDB-3EG2-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "3EG2", "doi": "10.1074/jbc.M109.048033", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3EG2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the N114Q mutant of ABL-SH3 domain" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 3.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Proto-oncogene tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3EG1", "evidence_id": "EV-PDB-3EG1-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.85 }, "provenance": { "deposit_id": "3EG1", "doi": "10.1074/jbc.M109.048033", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3EG1" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the N114Q mutant of ABL-SH3 domain complexed with a designed high-affinity peptide ligand: implications for SH3-ligand interactions" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Proto-oncogene tyrosine-protein kinase ABL1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3EG0", "evidence_id": "EV-PDB-3EG0-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "3EG0", "doi": "10.1074/jbc.M109.048033", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3EG0" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the N114T mutant of ABL-SH3 domain" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "NIL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Proto-oncogene tyrosine-protein kinase ABL1 (chains A,B,C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3CS9", "evidence_id": "EV-PDB-3CS9-1", "mappings": [ { "confidence": "medium", "justification": "Imatinib (STI) or nilotinib (NIL) bound; type II inhibitors bind the DFG-out conformation.", "rule": "abl-type2-dfg-out", "state_id": "Abl-DFG-out", "who": "rule:abl-type2-dfg-out" } ], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.21 }, "provenance": { "deposit_id": "3CS9", "doi": "10.1016/j.ccr.2005.01.007", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3CS9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Human ABL kinase in complex with nilotinib" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Proto-oncogene tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2O88", "evidence_id": "EV-PDB-2O88-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.75 }, "provenance": { "deposit_id": "2O88", "doi": "10.1107/S0907444907011109", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2O88" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the N114A mutant of ABL-SH3 domain complexed with a designed high-affinity peptide ligand: implications for SH3-ligand interactions" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "4ST" ], "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": "Proto-oncogene tyrosine-protein kinase ABL1 (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2HZ4", "evidence_id": "EV-PDB-2HZ4-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.8 }, "provenance": { "deposit_id": "2HZ4", "doi": "10.1107/S0907444906047287", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2HZ4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Abl kinase domain unligated and in complex with tetrahydrostaurosporine" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GIN" ], "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": "Proto-oncogene tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2HZ0", "evidence_id": "EV-PDB-2HZ0-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "2HZ0", "doi": "10.1107/S0907444906047287", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2HZ0" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Abl kinase domain in complex with NVP-AEG082" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "7MP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.5, "salt_mM": null, "temperature_c": -73.15 }, "construct": { "description": "Proto-oncogene tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2HIW", "evidence_id": "EV-PDB-2HIW-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "2HIW", "doi": "10.1016/j.chembiol.2006.05.015", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2HIW" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of Inactive Conformation Abl Kinase Catalytic Domain Complexed with Type II Inhibitor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "1N1", "GOL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Proto-oncogene tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2GQG", "evidence_id": "EV-PDB-2GQG-1", "mappings": [ { "confidence": "high", "justification": "Dasatinib bound to the activated kinase domain.", "rule": "curator_assignment", "state_id": "Abl-active", "who": "curator:draft (unreviewed)" } ], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.4 }, "provenance": { "deposit_id": "2GQG", "doi": "10.1158/0008-5472.CAN-05-4187", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2GQG" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "X-ray Crystal Structure of Dasatinib (BMS-354825) Bound to Activated ABL Kinase Domain" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ADP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Abl Tyrosine Kinase (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2G2I", "evidence_id": "EV-PDB-2G2I-1", "mappings": [ { "confidence": "high", "justification": "Title: Src-like inactive conformation.", "rule": "curator_assignment", "state_id": "Abl-Src-like-inactive", "who": "curator:draft (unreviewed)" } ], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.12 }, "provenance": { "deposit_id": "2G2I", "doi": "10.1371/journal.pbio.0040144", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2G2I" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "P16" ], "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": "Abl Tyrosine (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2G2H", "evidence_id": "EV-PDB-2G2H-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "2G2H", "doi": "10.1371/journal.pbio.0040144", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2G2H" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "112", "AGS" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Abl Kinase (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2G2F", "evidence_id": "EV-PDB-2G2F-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.7 }, "provenance": { "deposit_id": "2G2F", "doi": "10.1371/journal.pbio.0040144", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2G2F" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "112", "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": "Proto-oncogene tyrosine-protein kinase ABL1 (chains A,B,C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2G1T", "evidence_id": "EV-PDB-2G1T-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "2G1T", "doi": "10.1371/journal.pbio.0040144", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2G1T" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL", "MYR", "P16" ], "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": "Proto-oncogene tyrosine-protein kinase ABL1 (1B ISOFORM) (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2FO0", "evidence_id": "EV-PDB-2FO0-1", "mappings": [ { "confidence": "medium", "justification": "SH3-SH2 unit with myristate; the entry covers active and inactive forms, so medium.", "rule": "curator_assignment", "state_id": "Abl-autoinhibited", "who": "curator:draft (unreviewed)" } ], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.27 }, "provenance": { "deposit_id": "2FO0", "doi": "10.1016/j.molcel.2006.01.035", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2FO0" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Organization of the SH3-SH2 Unit in Active and Inactive Forms of the c-Abl Tyrosine Kinase" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "VX6" ], "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": "Proto-oncogene tyrosine-protein kinase ABL1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2F4J", "evidence_id": "EV-PDB-2F4J-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.91 }, "provenance": { "deposit_id": "2F4J", "doi": "10.1158/0008-5472.CAN-05-2788", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2F4J" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of the Kinase Domain of an Imatinib-Resistant Abl Mutant in Complex with the Aurora Kinase Inhibitor VX-680" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "406" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Proto-oncogene tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2E2B", "evidence_id": "EV-PDB-2E2B-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "2E2B", "doi": "10.1016/j.bmcl.2007.03.002", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2E2B" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the c-Abl kinase domain in complex with INNO-406" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "MYR", "P16" ], "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": "proto-oncogene tyrosine-protein kinase (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1OPL", "evidence_id": "EV-PDB-1OPL-1", "mappings": [ { "confidence": "medium", "justification": "Myristate (MYR) in the C-lobe pocket marks the assembled, autoinhibited form.", "rule": "abl-myristate-autoinhibited", "state_id": "Abl-autoinhibited", "who": "rule:abl-myristate-autoinhibited" } ], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.42 }, "provenance": { "deposit_id": "1OPL", "doi": "10.1016/S0092-8674(03)00194-6", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1OPL" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structural basis for the auto-inhibition of c-Abl tyrosine kinase" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.8, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "Abl (chains C)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1JU5", "evidence_id": "EV-PDB-1JU5-3", "mappings": [], "molecule_id": "P00519", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1JU5", "doi": "10.1073/pnas.212518799", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1JU5" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Ternary complex of an Crk SH2 domain, Crk-derived phophopeptide, and Abl SH3 domain by NMR spectroscopy" }, { "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": 24.85 }, "construct": { "description": "ABL TYROSINE KINASE (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1AWO", "evidence_id": "EV-PDB-1AWO-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1AWO", "doi": "10.1016/S0969-2126(01)00243-X", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1AWO" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "THE SOLUTION NMR STRUCTURE OF ABL SH3 AND ITS RELATIONSHIP TO SH2 IN THE SH(32) CONSTRUCT, 20 STRUCTURES" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "C-ABL TYROSINE KINASE SH2 DOMAIN (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1AB2", "evidence_id": "EV-PDB-1AB2-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1AB2", "doi": "10.1016/0092-8674(92)90437-H", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1AB2" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE SRC HOMOLOGY 2 DOMAIN OF C-ABL" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5DC0", "evidence_id": "EV-PDB-5DC0-2", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.23 }, "provenance": { "deposit_id": "5DC0", "doi": "10.1074/jbc.M115.707901", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5DC0" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF MONOBODY GG3/ABL1 SH2 DOMAIN COMPLEX" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL", "IMD" ], "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": "Tyrosine-protein kinase ABL1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5DC9", "evidence_id": "EV-PDB-5DC9-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.56 }, "provenance": { "deposit_id": "5DC9", "doi": "10.1074/jbc.M115.707901", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5DC9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF MONOBODY AS25/ABL1 SH2 DOMAIN COMPLEX, CRYSTAL B" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PEG" ], "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": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5OAZ", "evidence_id": "EV-PDB-5OAZ-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.03 }, "provenance": { "deposit_id": "5OAZ", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5OAZ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the Abl-SH3 domain at pH 7.5" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6AMV", "evidence_id": "EV-PDB-6AMV-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "6AMV", "doi": "10.1038/nsmb.3470", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6AMV" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Abl 1b Regulatory Module 'inhibiting 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": 7.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6AMW", "evidence_id": "EV-PDB-6AMW-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "6AMW", "doi": "10.1038/nsmb.3470", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6AMW" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Abl1b Regulatory Module 'Activating' conformation" }, { "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": 7.7, "salt_mM": null, "temperature_c": 9.85 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6XRG", "evidence_id": "EV-PDB-6XRG-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "6XRG", "doi": "10.1126/science.abc2754", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6XRG" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Abl 1b isoform inactive2 state" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "1N1", "PO4", "STI" ], "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": "Tyrosine-protein kinase ABL1 (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7N9G", "evidence_id": "EV-PDB-7N9G-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "7N9G", "doi": "10.1016/j.jmb.2021.167349", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7N9G" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the Abl 1b Kinase domain in complex with Dasatinib and Imatinib" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Non-specific protein-tyrosine kinase (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7PW2", "evidence_id": "EV-PDB-7PW2-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.1 }, "provenance": { "deposit_id": "7PW2", "doi": "10.1107/S2059798325006977", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7PW2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the Abl SH3 domain V73E-A74S-S75R-G76T-D77E mutant" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9KS5", "evidence_id": "EV-PDB-9KS5-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "9KS5", "doi": "10.1021/jacs.4c18006", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9KS5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "The crystal structure of ABL1 in complex with K-CNBA-1" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "AY7", "CL", "DMS", "SKI", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8SSN", "evidence_id": "EV-PDB-8SSN-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.86 }, "provenance": { "deposit_id": "8SSN", "doi": "10.1073/pnas.2304611120", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8SSN" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Abl kinase in complex with SKI and asciminib" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "6CI", "BAL" ], "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": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8I7Z", "evidence_id": "EV-PDB-8I7Z-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.25495806781 }, "provenance": { "deposit_id": "8I7Z", "doi": "10.1016/j.jare.2024.09.008", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8I7Z" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "The crystal structure of human abl1 kinase domain in complex with ABL1-B5" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "6I5" ], "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": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8I7T", "evidence_id": "EV-PDB-8I7T-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.80004960558 }, "provenance": { "deposit_id": "8I7T", "doi": "10.1016/j.jare.2024.09.008", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8I7T" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "The crystal structure of human abl1 kinase domain in complex with ABL1-B4" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "6CI" ], "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": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8I7S", "evidence_id": "EV-PDB-8I7S-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.94635467805 }, "provenance": { "deposit_id": "8I7S", "doi": "10.1016/j.jare.2024.09.008", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8I7S" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "The crystal structure of human abl1 kinase domain in complex with ABL1-B1" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "QH9" ], "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": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8H7H", "evidence_id": "EV-PDB-8H7H-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.27789711576 }, "provenance": { "deposit_id": "8H7H", "doi": "10.1021/jacs.2c11595", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8H7H" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "The crystal structure of human abl1 kinase domain in complex with abl1-A-EBA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "QEW" ], "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": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8H7F", "evidence_id": "EV-PDB-8H7F-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.4501342407 }, "provenance": { "deposit_id": "8H7F", "doi": "10.1021/jacs.2c11595", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8H7F" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "The crystal structure of human abl1 kinase domain in complex with abl1-B-EBA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "8IW" ], "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": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7W7Y", "evidence_id": "EV-PDB-7W7Y-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.20003021871 }, "provenance": { "deposit_id": "7W7Y", "doi": "10.1002/anie.202203878", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7W7Y" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "The crystal structure of human abl1 kinase domain in complex with ABL2-A5" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "8DW" ], "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": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7W7X", "evidence_id": "EV-PDB-7W7X-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.00000937681 }, "provenance": { "deposit_id": "7W7X", "doi": "10.1002/anie.202203878", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7W7X" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "The crystal structure of human abl1 kinase domain in complex with ABL1-A11" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PEG", "PGE" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Bcr-abl1 e6a2 chimeric protein (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7PVV", "evidence_id": "EV-PDB-7PVV-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.82 }, "provenance": { "deposit_id": "7PVV", "doi": "10.1107/S2059798325006977", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7PVV" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the Abl SH3 domain G92N-Y93N-N94T-H95E mutant" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "NA", "P6G", "PEG", "PGE", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7PVS", "evidence_id": "EV-PDB-7PVS-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.05 }, "provenance": { "deposit_id": "7PVS", "doi": "10.1107/S2059798325006977", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7PVS" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the Abl SH3 domain V73E-A74S-S75R-G76T-D77E-G92N-Y93N-N94T-H95E mutant in presence of PEG 200" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7PVR", "evidence_id": "EV-PDB-7PVR-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.65 }, "provenance": { "deposit_id": "7PVR", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7PVR" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the Abl SH3 domain V73E-A74S-S75R-G76T-D77E-G92N-Y93N-N94T-H95E mutant in the space group P41" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7PVQ", "evidence_id": "EV-PDB-7PVQ-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.55 }, "provenance": { "deposit_id": "7PVQ", "doi": "10.1107/S2059798325006977", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7PVQ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the Abl SH3 domain V73E-A74S-S75R-G76T-D77E-G92N-Y93N-N94T-H95E mutant in the space group P21221" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "HJ9" ], "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": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7DT2", "evidence_id": "EV-PDB-7DT2-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "7DT2", "doi": "10.1002/anie.202105383", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7DT2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Strategic design of catalytic lysine-targeting reversible covalent BCR-ABL Inhibitors" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "FVC" ], "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": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7CC2", "evidence_id": "EV-PDB-7CC2-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.723 }, "provenance": { "deposit_id": "7CC2", "doi": "10.1002/anie.202105383", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7CC2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Strategic design of catalytic lysine-targeting reversible covalent BCR-ABL Inhibitors" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": 9.85 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6XR7", "evidence_id": "EV-PDB-6XR7-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "6XR7", "doi": "10.1126/science.abc2754", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6XR7" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Abl isoform 1b inactive1 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": 7.1, "salt_mM": null, "temperature_c": 9.85 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6XR6", "evidence_id": "EV-PDB-6XR6-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "6XR6", "doi": "10.1126/science.abc2754", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6XR6" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Abl 1b isoform active state" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2PE", "GOL", "KWP", "SO4", "STI" ], "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": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6NPV", "evidence_id": "EV-PDB-6NPV-1", "mappings": [ { "confidence": "medium", "justification": "Imatinib (STI) or nilotinib (NIL) bound; type II inhibitors bind the DFG-out conformation.", "rule": "abl-type2-dfg-out", "state_id": "Abl-DFG-out", "who": "rule:abl-type2-dfg-out" } ], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.86 }, "provenance": { "deposit_id": "6NPV", "doi": "10.1021/acs.jmedchem.8b01872", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6NPV" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "C-abl Kinase domain with the activator(cmpd51), N-(1-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-4,5-dihydro-1H-pyrazol-3-yl)isonicotinamide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2PE", "GOL", "KWV", "SO4", "STI" ], "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": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6NPU", "evidence_id": "EV-PDB-6NPU-1", "mappings": [ { "confidence": "medium", "justification": "Imatinib (STI) or nilotinib (NIL) bound; type II inhibitors bind the DFG-out conformation.", "rule": "abl-type2-dfg-out", "state_id": "Abl-DFG-out", "who": "rule:abl-type2-dfg-out" } ], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.33 }, "provenance": { "deposit_id": "6NPU", "doi": "10.1021/acs.jmedchem.8b01872", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6NPU" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "C-abl Kinase domain with the activator(cmpd29), N-(1-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)acetamide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2PE", "KWD", "SO4", "STI" ], "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": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6NPE", "evidence_id": "EV-PDB-6NPE-1", "mappings": [ { "confidence": "medium", "justification": "Imatinib (STI) or nilotinib (NIL) bound; type II inhibitors bind the DFG-out conformation.", "rule": "abl-type2-dfg-out", "state_id": "Abl-DFG-out", "who": "rule:abl-type2-dfg-out" } ], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.15 }, "provenance": { "deposit_id": "6NPE", "doi": "10.1021/acs.jmedchem.8b01872", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6NPE" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "C-abl Kinase domain with the activator(cmpd6), 2-cyano-N-(4-(3,4-dichlorophenyl)thiazol-2-yl)acetamide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PVB", "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": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6BL8", "evidence_id": "EV-PDB-6BL8-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.5 }, "provenance": { "deposit_id": "6BL8", "doi": "10.1021/acs.jctc.7b01170", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6BL8" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Predicting the Conformational Variability of Abl Tyrosine Kinase Using Molecular Dynamics Simulations and Markov State Models" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5NP2", "evidence_id": "EV-PDB-5NP2-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.6 }, "provenance": { "deposit_id": "5NP2", "doi": "10.1074/jbc.RA118.004732", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5NP2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Abl1 SH3 pTyr89/134" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "AY7", "NIL" ], "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": "Tyrosine-protein kinase ABL1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5MO4", "evidence_id": "EV-PDB-5MO4-1", "mappings": [ { "confidence": "medium", "justification": "Imatinib (STI) or nilotinib (NIL) bound; type II inhibitors bind the DFG-out conformation.", "rule": "abl-type2-dfg-out", "state_id": "Abl-DFG-out", "who": "rule:abl-type2-dfg-out" } ], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.17 }, "provenance": { "deposit_id": "5MO4", "doi": "10.1038/nature21702", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5MO4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "ABL1 kinase (T334I_D382N) in complex with asciminib and nilotinib" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "66K", "CL", "EDO" ], "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": "Tyrosine-protein kinase ABL1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5HU9", "evidence_id": "EV-PDB-5HU9-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.529 }, "provenance": { "deposit_id": "5HU9", "doi": "10.18632/oncotarget.10037", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5HU9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of ABL1 in complex with CHMFL-074" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.83, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5DC4", "evidence_id": "EV-PDB-5DC4-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.48 }, "provenance": { "deposit_id": "5DC4", "doi": "10.1074/jbc.M115.707901", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5DC4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF MONOBODY AS25/ABL1 SH2 DOMAIN COMPLEX, CRYSTAL A" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "MES", "MXE", "VX6" ], "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": -173.15 }, "construct": { "description": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4ZOG", "evidence_id": "EV-PDB-4ZOG-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "4ZOG", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4ZOG" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "VX-680/MK-0457 binds to human ABL1 also in inactive DFG conformations." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "4B7", "EDO", "MES" ], "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": "Tyrosine-protein kinase ABL1 (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4YC8", "evidence_id": "EV-PDB-4YC8-1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.9 }, "provenance": { "deposit_id": "4YC8", "doi": "10.1021/acschembio.5b01018", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4YC8" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "C-Helix-Out Binding of Dasatinib Analog to c-Abl Kinase" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 6.5, "salt_mM": null, "temperature_c": 22.35 }, "construct": { "description": "BMRB data: 13C chemical shifts, 1H chemical shifts, 15N chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=15488", "evidence_id": "EV-BMRB-15488", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr15488", "doi": "10.13018/BMR15488", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=15488" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Backbone 1H, 15N, 13CO and 13CA resonance assignment of ABL kinase domain in complex with imatinib" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 7.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "BMRB data: 13C chemical shifts, 15N chemical shifts, 1H chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=30331", "evidence_id": "EV-BMRB-30331", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr30331", "doi": "10.13018/BMR30331", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=30331" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b Regulatory Module 'inhibiting state'" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 7.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "BMRB data: 13C chemical shifts, 15N chemical shifts, 1H chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=30332", "evidence_id": "EV-BMRB-30332", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr30332", "doi": "10.13018/BMR30332", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=30332" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl1b Regulatory Module 'Activating' conformation" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 7.1, "salt_mM": null, "temperature_c": 9.85 }, "construct": { "description": "BMRB data: 13C chemical shifts, 15N chemical shifts, 1H chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=30770", "evidence_id": "EV-BMRB-30770", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr30770", "doi": "10.13018/BMR30770", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=30770" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Ablb 1b isoform active state" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 6.5, "salt_mM": null, "temperature_c": 9.85 }, "construct": { "description": "BMRB data: 13C chemical shifts, 1H chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=30771", "evidence_id": "EV-BMRB-30771", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr30771", "doi": "10.13018/BMR30771", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=30771" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl isoform 1b inactive1 state" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 7.7, "salt_mM": null, "temperature_c": 9.85 }, "construct": { "description": "BMRB data: 13C chemical shifts, 1H chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=30772", "evidence_id": "EV-BMRB-30772", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr30772", "doi": "10.13018/BMR30772", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=30772" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform inactive2 state" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 7.2, "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=4252", "evidence_id": "EV-BMRB-4252", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr4252", "doi": "10.13018/BMR4252", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=4252" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Triple Resonance Assignment for Abl SH(32) and One in the Complex with a Consolidated Ligand" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 8.0, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BMRB data: 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=52273", "evidence_id": "EV-BMRB-52273", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr52273", "doi": "10.13018/BMR52273", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=52273" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform wild type SH3-SH2-KD (aa 83-534) apo" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 8.0, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BMRB data: 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=52293", "evidence_id": "EV-BMRB-52293", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr52293", "doi": "10.13018/BMR52293", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=52293" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform wild type SH3-SH2-KD (aa 83-534) in complex with asciminib" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 8.0, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BMRB data: 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=52296", "evidence_id": "EV-BMRB-52296", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr52296", "doi": "10.13018/BMR52296", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=52296" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform wild type SH3-SH2-KD (aa 83-519) apo" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 8.0, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BMRB data: 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=52297", "evidence_id": "EV-BMRB-52297", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr52297", "doi": "10.13018/BMR52297", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=52297" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform wild type SH3-SH2-KD (aa 83-519) in complex with imatinib" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 8.0, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BMRB data: 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=52298", "evidence_id": "EV-BMRB-52298", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr52298", "doi": "10.13018/BMR52298", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=52298" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform wild type SH3-SH2-KD (aa 83-517) apo" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 8.0, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BMRB data: 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=52300", "evidence_id": "EV-BMRB-52300", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr52300", "doi": "10.13018/BMR52300", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=52300" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform wild type SH3-SH2-KD (aa 83-517) in complex with imatinib" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 8.0, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BMRB data: 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=52301", "evidence_id": "EV-BMRB-52301", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr52301", "doi": "10.13018/BMR52301", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=52301" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform wild type SH3-SH2-KD (aa 83-515) apo" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 8.0, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BMRB data: 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=52302", "evidence_id": "EV-BMRB-52302", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr52302", "doi": "10.13018/BMR52302", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=52302" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform wild type SH3-SH2-KD (aa 83-515) in complex with imatinib" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 8.0, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BMRB data: 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=52305", "evidence_id": "EV-BMRB-52305", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr52305", "doi": "10.13018/BMR52305", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=52305" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform E528K SH3-SH2-KD (aa 83-534) apo" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 8.0, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BMRB data: 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=52306", "evidence_id": "EV-BMRB-52306", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr52306", "doi": "10.13018/BMR52306", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=52306" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform E528K SH3-SH2-KD (aa 83-534) in complex with imatinib" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 8.0, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BMRB data: 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=52307", "evidence_id": "EV-BMRB-52307", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr52307", "doi": "10.13018/BMR52307", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=52307" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform wild type SH3-SH2-KD (aa 83-534) in complex with GNF-5" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 8.0, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BMRB data: 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=52310", "evidence_id": "EV-BMRB-52310", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr52310", "doi": "10.13018/BMR52310", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=52310" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform wild type SH3-SH2-KD (aa 83-534) in complex with PD166326" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 8.0, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BMRB data: 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=52339", "evidence_id": "EV-BMRB-52339", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr52339", "doi": "10.13018/BMR52339", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=52339" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform wild type SH3-SH2-KD (aa 83-534) in complex with imatinib" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 8.0, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BMRB data: 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=52797", "evidence_id": "EV-BMRB-52797", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr52797", "doi": "10.13018/BMR52797", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=52797" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform wild type SH3-SH2-KD (aa 83-534) in complex with nilotinib" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 8.0, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BMRB data: 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=52798", "evidence_id": "EV-BMRB-52798", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr52798", "doi": "10.13018/BMR52798", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=52798" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform wild type SH3-SH2-KD (aa 83-534) in complex with ponatinib" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 8.0, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BMRB data: 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=52799", "evidence_id": "EV-BMRB-52799", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr52799", "doi": "10.13018/BMR52799", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=52799" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform wild type SH3-SH2-KD (aa 83-534) in complex with rebastinib" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 8.0, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BMRB data: 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=52800", "evidence_id": "EV-BMRB-52800", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr52800", "doi": "10.13018/BMR52800", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=52800" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform wild type SH3-SH2-KD (aa 83-534) in complex with bafetinib" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 8.0, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BMRB data: 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=52802", "evidence_id": "EV-BMRB-52802", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr52802", "doi": "10.13018/BMR52802", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=52802" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform wild type SH3-SH2-KD (aa 83-534) in complex with PD180970" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 8.0, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BMRB data: 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=52803", "evidence_id": "EV-BMRB-52803", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr52803", "doi": "10.13018/BMR52803", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=52803" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform wild type SH3-SH2-KD (aa 83-534) in complex with axitinib" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 8.0, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BMRB data: 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=52804", "evidence_id": "EV-BMRB-52804", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr52804", "doi": "10.13018/BMR52804", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=52804" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform wild type SH3-SH2-KD (aa 83-534) in complex with dasatinib" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 8.0, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BMRB data: 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=52805", "evidence_id": "EV-BMRB-52805", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr52805", "doi": "10.13018/BMR52805", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=52805" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform wild type SH3-SH2-KD (aa 83-534) in complex with staurosporine" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 8.0, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BMRB data: 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=52806", "evidence_id": "EV-BMRB-52806", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr52806", "doi": "10.13018/BMR52806", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=52806" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform wild type SH3-SH2-KD (aa 83-534) in complex with danusertib" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 8.0, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BMRB data: 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=52807", "evidence_id": "EV-BMRB-52807", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr52807", "doi": "10.13018/BMR52807", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=52807" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform wild type SH3-SH2-KD (aa 83-534) in complex with tozasertib" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 8.0, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BMRB data: 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=52808", "evidence_id": "EV-BMRB-52808", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr52808", "doi": "10.13018/BMR52808", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=52808" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform wild type SH3-SH2-KD (aa 83-534) in complex with bosutinib" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 8.0, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BMRB data: 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=52809", "evidence_id": "EV-BMRB-52809", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr52809", "doi": "10.13018/BMR52809", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=52809" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform wild type SH3-SH2-KD (aa 83-534) in complex with AMP-PNP" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 8.0, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BMRB data: 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=52810", "evidence_id": "EV-BMRB-52810", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr52810", "doi": "10.13018/BMR52810", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=52810" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform wild type SH3-SH2-KD (aa 83-534) in complex with PD166326" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 8.0, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BMRB data: 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=52811", "evidence_id": "EV-BMRB-52811", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr52811", "doi": "10.13018/BMR52811", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=52811" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Abl 1b isoform wild type SH3-SH2-KD (aa 83-534) apo" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 6.3, "salt_mM": null, "temperature_c": 21.85 }, "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=6570", "evidence_id": "EV-BMRB-6570", "mappings": [], "molecule_id": "P00519", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr6570", "doi": "10.13018/BMR6570", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=6570" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "NMR Assignments of the F-actin binding domain of human Bcr-Abl/c-Abl" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "DisProt annotations do not record sample conditions.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "residues 385-401; evidence: X-ray crystallography-based structural model with missing residue coordinates used in manual assertion", "labels": [] }, "data_format": null, "data_level": "reported", "data_link": "https://europepmc.org/article/MED/17164530", "evidence_id": "EV-DISPROT-DP03166r001", "mappings": [], "molecule_id": "P00519", "observable": { "type": "disorder_region", "uncertainty": null, "unit": "residues", "value": 17 }, "provenance": { "deposit_id": "DP03166r001", "doi": null, "licence": "CC BY 4.0", "retrieved": "2026-10-19", "source": "DisProt", "url": "https://disprot.org/DP03166" }, "reader": null, "source_kind": "literature", "technique": "xray", "title": "DisProt DP03166: disorder, residues 385-401" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "DisProt annotations do not record sample conditions.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "residues 385-401; evidence: x-ray crystallography evidence used in manual assertion", "labels": [] }, "data_format": null, "data_level": "reported", "data_link": "https://europepmc.org/article/MED/17164530", "evidence_id": "EV-DISPROT-DP03166r002", "mappings": [], "molecule_id": "P00519", "observable": { "type": "disorder_region", "uncertainty": null, "unit": "residues", "value": 17 }, "provenance": { "deposit_id": "DP03166r002", "doi": null, "licence": "CC BY 4.0", "retrieved": "2026-10-19", "source": "DisProt", "url": "https://disprot.org/DP03166" }, "reader": null, "source_kind": "literature", "technique": "xray", "title": "DisProt DP03166: disorder to order, residues 385-401" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "DisProt annotations do not record sample conditions.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "residues 1026-1045 of isoform P00519-2; evidence: nuclear magnetic resonance spectroscopy evidence used in manual assertion", "labels": [] }, "data_format": null, "data_level": "reported", "data_link": "https://europepmc.org/article/MED/16109371", "evidence_id": "EV-DISPROT-DP03168r001", "mappings": [], "molecule_id": "P00519", "observable": { "type": "disorder_region", "uncertainty": null, "unit": "residues", "value": 20 }, "provenance": { "deposit_id": "DP03168r001", "doi": null, "licence": "CC BY 4.0", "retrieved": "2026-10-19", "source": "DisProt", "url": "https://disprot.org/DP03168" }, "reader": null, "source_kind": "literature", "technique": "nmr_shifts", "title": "DisProt DP03168: disorder, residues 1026-1045" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "DisProt annotations do not record sample conditions.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "residues 520-531 of isoform P00519-2; evidence: X-ray crystallography-based structural model with missing residue coordinates used in manual assertion", "labels": [] }, "data_format": null, "data_level": "reported", "data_link": "https://europepmc.org/article/MED/21338916", "evidence_id": "EV-DISPROT-DP03168r002", "mappings": [], "molecule_id": "P00519", "observable": { "type": "disorder_region", "uncertainty": null, "unit": "residues", "value": 12 }, "provenance": { "deposit_id": "DP03168r002", "doi": null, "licence": "CC BY 4.0", "retrieved": "2026-10-19", "source": "DisProt", "url": "https://disprot.org/DP03168" }, "reader": null, "source_kind": "literature", "technique": "xray", "title": "DisProt DP03168: disorder, residues 520-531" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "DisProt annotations do not record sample conditions.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "residues 138-249 of isoform P00519-2; evidence: X-ray crystallography-based structural model with missing residue coordinates used in manual assertion", "labels": [] }, "data_format": null, "data_level": "reported", "data_link": "https://europepmc.org/article/MED/25779001", "evidence_id": "EV-DISPROT-DP03168r003", "mappings": [], "molecule_id": "P00519", "observable": { "type": "disorder_region", "uncertainty": null, "unit": "residues", "value": 112 }, "provenance": { "deposit_id": "DP03168r003", "doi": null, "licence": "CC BY 4.0", "retrieved": "2026-10-19", "source": "DisProt", "url": "https://disprot.org/DP03168" }, "reader": null, "source_kind": "literature", "technique": "xray", "title": "DisProt DP03168: disorder, residues 138-249" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_silico", "ions": [], "ligands": [], "notes": "Computed prediction; no experimental conditions.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "AlphaFold Monomer v2.0 pipeline, residues 1-1130", "labels": [] }, "data_format": "mmCIF, PAE JSON", "data_level": "processed", "data_link": "https://alphafold.ebi.ac.uk/entry/P00519", "evidence_id": "EV-AFDB-AF-P00519-F1", "mappings": [], "molecule_id": "P00519", "observable": { "type": "plddt", "uncertainty": null, "unit": "pLDDT", "value": 63.38 }, "provenance": { "deposit_id": "AF-P00519-F1", "doi": null, "licence": "CC BY 4.0", "retrieved": "2026-10-19", "source": "AlphaFold DB", "url": "https://alphafold.ebi.ac.uk/entry/P00519" }, "reader": null, "source_kind": "computed", "technique": "af_prediction", "title": "AlphaFold DB prediction AF-P00519-F1" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_silico", "ions": [], "ligands": [], "notes": "Simulation; temperature is the thermostat setting.", "ph": null, "salt_mM": null, "temperature_c": 26.85 }, "construct": { "description": "start 2ABL; Amber Parm99", "labels": [] }, "data_format": "trajectory", "data_level": "processed", "data_link": "https://mmb.mddbr.eu/#/id/A0049/overview", "evidence_id": "EV-MDDB-A0049", "mappings": [], "molecule_id": "P00519", "observable": { "type": "trajectory", "uncertainty": null, "unit": "ns", "value": 10.0 }, "provenance": { "deposit_id": "A0049", "doi": "10.1016/j.str.2010.07.013", "licence": "This trajectory dataset is released under a Creative Commons Attribution 4.0 International Public License", "retrieved": "2026-10-19", "source": "MDDB", "url": "https://mmb.mddbr.eu/#/id/A0049/overview" }, "reader": null, "source_kind": "computed", "technique": "md", "title": "MoDEL 2ABL" } ], "models": [ { "assumptions": null, "basis": "observed", "constraints_used": [ "EV-PDB-2HYY-1" ], "file": "models/P00519/Abl-DFG-out.cif", "format": "mmCIF", "model_id": "Abl-DFG-out-cif", "molecule_id": "P00519", "provenance": { "deposit_id": "2HYY", "doi": "10.1107/S0907444906047287", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://files.rcsb.org/download/2HYY.cif" }, "state_id": "Abl-DFG-out" }, { "assumptions": null, "basis": "observed", "constraints_used": [ "EV-PDB-2HYY-1" ], "file": "models/P00519/Abl-DFG-out.pdb", "format": "PDB", "model_id": "Abl-DFG-out-pdb", "molecule_id": "P00519", "provenance": { "deposit_id": "2HYY", "doi": "10.1107/S0907444906047287", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://files.rcsb.org/download/2HYY.pdb" }, "state_id": "Abl-DFG-out" }, { "assumptions": null, "basis": "observed", "constraints_used": [ "EV-PDB-2GQG-1" ], "file": "models/P00519/Abl-active.cif", "format": "mmCIF", "model_id": "Abl-active-cif", "molecule_id": "P00519", "provenance": { "deposit_id": "2GQG", "doi": "10.1158/0008-5472.CAN-05-4187", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://files.rcsb.org/download/2GQG.cif" }, "state_id": "Abl-active" }, { "assumptions": null, "basis": "observed", "constraints_used": [ "EV-PDB-2GQG-1" ], "file": "models/P00519/Abl-active.pdb", "format": "PDB", "model_id": "Abl-active-pdb", "molecule_id": "P00519", "provenance": { "deposit_id": "2GQG", "doi": "10.1158/0008-5472.CAN-05-4187", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://files.rcsb.org/download/2GQG.pdb" }, "state_id": "Abl-active" }, { "assumptions": null, "basis": "observed", "constraints_used": [ "EV-PDB-2G2I-1" ], "file": "models/P00519/Abl-Src-like-inactive.cif", "format": "mmCIF", "model_id": "Abl-Src-like-inactive-cif", "molecule_id": "P00519", "provenance": { "deposit_id": "2G2I", "doi": "10.1371/journal.pbio.0040144", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://files.rcsb.org/download/2G2I.cif" }, "state_id": "Abl-Src-like-inactive" }, { "assumptions": null, "basis": "observed", "constraints_used": [ "EV-PDB-2G2I-1" ], "file": "models/P00519/Abl-Src-like-inactive.pdb", "format": "PDB", "model_id": "Abl-Src-like-inactive-pdb", "molecule_id": "P00519", "provenance": { "deposit_id": "2G2I", "doi": "10.1371/journal.pbio.0040144", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://files.rcsb.org/download/2G2I.pdb" }, "state_id": "Abl-Src-like-inactive" }, { "assumptions": null, "basis": "observed", "constraints_used": [ "EV-PDB-2FO0-1" ], "file": "models/P00519/Abl-autoinhibited.cif", "format": "mmCIF", "model_id": "Abl-autoinhibited-cif", "molecule_id": "P00519", "provenance": { "deposit_id": "2FO0", "doi": "10.1016/j.molcel.2006.01.035", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://files.rcsb.org/download/2FO0.cif" }, "state_id": "Abl-autoinhibited" }, { "assumptions": null, "basis": "observed", "constraints_used": [ "EV-PDB-2FO0-1" ], "file": "models/P00519/Abl-autoinhibited.pdb", "format": "PDB", "model_id": "Abl-autoinhibited-pdb", "molecule_id": "P00519", "provenance": { "deposit_id": "2FO0", "doi": "10.1016/j.molcel.2006.01.035", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://files.rcsb.org/download/2FO0.pdb" }, "state_id": "Abl-autoinhibited" } ], "molecule": { "components": [], "domains": [ { "end": 121, "name": "SH3", "start": 61 }, { "end": 217, "name": "SH2", "start": 127 }, { "end": 493, "name": "Protein kinase", "start": 242 } ], "gene": "ABL1", "identifiers": { "genbank": null, "isoform": null, "nakb": null, "pdb": [], "rfam": null, "rnacentral": null, "uniprot": "P00519" }, "ligands": [ "ATP" ], "modifications": [ { "kind": "ptm", "name": "Phosphoserine", "position": 50, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphotyrosine; by autocatalysis", "position": 70, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphotyrosine", "position": 115, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphotyrosine", "position": 128, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphotyrosine", "position": 139, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphotyrosine", "position": 172, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphotyrosine", "position": 185, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphotyrosine", "position": 215, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphotyrosine; by autocatalysis", "position": 226, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphoserine", "position": 229, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphotyrosine", "position": 253, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphotyrosine", "position": 257, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphotyrosine; by autocatalysis and SRC-type Tyr-kinases", "position": 393, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphotyrosine", "position": 413, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphoserine", "position": 446, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphoserine", "position": 559, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphoserine", "position": 569, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphoserine; by PAK2", "position": 618, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphoserine; by PAK2", "position": 619, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphoserine", "position": 620, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphoserine", "position": 659, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphoserine", "position": 683, "source": "UniProtKB" }, { "kind": "ptm", "name": "N6-acetyllysine; by EP300", "position": 711, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphoserine", "position": 718, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphothreonine", "position": 735, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphothreonine", "position": 751, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphothreonine", "position": 781, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphothreonine", "position": 814, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphothreonine", "position": 823, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphothreonine", "position": 844, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphothreonine", "position": 852, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphoserine", "position": 855, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphoserine", "position": 917, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphoserine", "position": 977, "source": "UniProtKB" } ], "molecule_id": "P00519", "molecule_type": "protein", "name": "Tyrosine-protein kinase ABL1", "organism": { "name": "Homo sapiens", "taxon_id": 9606 }, "provenance": { "deposit_id": "P00519", "doi": null, "licence": "CC BY 4.0 (UniProt)", "retrieved": "2026-10-19", "source": "UniProtKB", "url": "https://www.uniprot.org/uniprotkb/P00519/entry" }, "sequence": "MLEICLKLVGCKSKKGLSSSSSCYLEEALQRPVASDFEPQGLSEAARWNSKENLLAGPSENDPNLFVALYDFVASGDNTLSITKGEKLRVLGYNHNGEWCEAQTKNGQGWVPSNYITPVNSLEKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSISLRYEGRVYHYRINTASDGKLYVSSESRFNTLAELVHHHSTVADGLITTLHYPAPKRNKPTVYGVSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQESSISDEVEKELGKQGVRGAVSTLLQAPELPTKTRTSRRAAEHRDTTDVPEMPHSKGQGESDPLDHEPAVSPLLPRKERGPPEGGLNEDERLLPKDKKTNLFSALIKKKKKTAPTPPKRSSSFREMDGQPERRGAGEEEGRDISNGALAFTPLDTADPAKSPKPSNGAGVPNGALRESGGSGFRSPHLWKKSSTLTSSRLATGEEEGGGSSSKRFLRSCSASCVPHGAKDTEWRSVTLPRDLQSTGRQFDSSTFGGHKSEKPALPRKRAGENRSDQVTRGTVTPPPRLVKKNEEAADEVFKDIMESSPGSSPPNLTPKPLRRQVTVAPASGLPHKEEAGKGSALGTPAAAEPVTPTSKAGSGAPGGTSKGPAEESRVRRHKHSSESPGRDKGKLSRLKPAPPPPPAASAGKAGGKPSQSPSQEAAGEAVLGAKTKATSLVDAVNSDAAKPSQPGEGLKKPVLPATPKPQSAKPSGTPISPAPVPSTLPSASSALAGDQPSSTAFIPLISTRVSLRKTRQPPERIASGAITKGVVLDSTEALCLAISRNSEQMASHSAVLEAGKNLYTFCVSYVDSIQQMRNKFAFREAINKLENNLRELQICPATAGSGPAATQDFSKLLSSVKEISDIVQR", "sequence_length": 1130 }, "molecule_id": "P00519", "states": [ { "assumptions": [], "basis": "observed", "description": "Kinase domain with DFG flipped out, bound to imatinib, as in 2HYY (human).", "family_label": { "terms": { "alpha_c": "alpha_c_in", "dfg": "dfg_out" }, "vocabulary": "kinase" }, "molecule_id": "P00519", "name": "DFG-out inactive (type II inhibitor-bound)", "parent_state": null, "population": null, "provenance": { "deposit_id": null, "doi": null, "licence": "Project licence (pending decision)", "retrieved": "2026-10-19", "source": "Conformome curation (P00519.yaml)", "url": "https://github.com/matth55/conformome/blob/HEAD/curation/P00519.yaml" }, "representative_model": "Abl-DFG-out-cif", "secondary_structure": null, "state_id": "Abl-DFG-out", "status": "draft" }, { "assumptions": [], "basis": "observed", "description": "Activated kinase domain bound to dasatinib, as in 2GQG.", "family_label": { "terms": { "alpha_c": "alpha_c_in", "dfg": "dfg_in" }, "vocabulary": "kinase" }, "molecule_id": "P00519", "name": "active-like DFG-in (dasatinib-bound)", "parent_state": null, "population": null, "provenance": { "deposit_id": null, "doi": null, "licence": "Project licence (pending decision)", "retrieved": "2026-10-19", "source": "Conformome curation (P00519.yaml)", "url": "https://github.com/matth55/conformome/blob/HEAD/curation/P00519.yaml" }, "representative_model": "Abl-active-cif", "secondary_structure": null, "state_id": "Abl-active", "status": "draft" }, { "assumptions": [], "basis": "observed", "description": "Src-like inactive kinase-domain conformation, as in 2G2I.", "family_label": { "terms": { "alpha_c": "alpha_c_out", "dfg": "dfg_in" }, "vocabulary": "kinase" }, "molecule_id": "P00519", "name": "Src-like inactive", "parent_state": null, "population": null, "provenance": { "deposit_id": null, "doi": null, "licence": "Project licence (pending decision)", "retrieved": "2026-10-19", "source": "Conformome curation (P00519.yaml)", "url": "https://github.com/matth55/conformome/blob/HEAD/curation/P00519.yaml" }, "representative_model": "Abl-Src-like-inactive-cif", "secondary_structure": null, "state_id": "Abl-Src-like-inactive", "status": "draft" }, { "assumptions": [], "basis": "observed", "description": "SH3 and SH2 domains clamped on the kinase with myristate in the C-lobe pocket, as in 2FO0.", "family_label": null, "molecule_id": "P00519", "name": "autoinhibited (SH3-SH2 clamp, myristate-bound)", "parent_state": null, "population": null, "provenance": { "deposit_id": null, "doi": null, "licence": "Project licence (pending decision)", "retrieved": "2026-10-19", "source": "Conformome curation (P00519.yaml)", "url": "https://github.com/matth55/conformome/blob/HEAD/curation/P00519.yaml" }, "representative_model": "Abl-autoinhibited-cif", "secondary_structure": null, "state_id": "Abl-autoinhibited", "status": "draft" } ], "transitions": [] }