9JQ1 image
Deposition Date 2024-09-27
Release Date 2025-07-02
Last Version Date 2026-07-15
Entry Detail
PDB ID:
9JQ1
Keywords:
SIGNALING PROTEIN
Title:
Crystal structure of EGFR T790M/C797S/L858R mutant in complex with 2,2-dichloro-N-(5-((5-chloro-4-((2-(dimethylphosphoryl)phenyl)amino)pyrimidin-2-yl)amino)-4-methoxy-2-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)acetamide
Biological Source:
Source Organism(s):
Homo sapiens (Taxon ID: 9606)
Expression System(s):
Spodoptera frugiperda
Method Details:
Experimental Method:
X-RAY DIFFRACTION
Resolution:
3.02 Å
R-Value Free:
0.27
R-Value Work:
0.20
R-Value Observed:
0.20
Space Group:
I 2 3
9JQ1 validation report missing
Macromolecular Entities
Structures with similar UniProt ID
Structural Superimposition Protein Blast
Polymer Type:polypeptide(L)
Molecule:Epidermal growth factor recep
Gene (Uniprot):EGFR
Mutagens:T790M/C797S/L858R
Chain IDs:A
Chain Length:329
Number of Molecules:1
Biological Source:Homo sapiens
UniProt ID:P00533 Pfam ID:PF07714 EC:2.7.10.1
Ligand Molecules
A1ECU
Primary Citation
A Dichloropropionamide-Substituted Diaminopyrimidine EGFR-TKI Overcomes Osimertinib Resistance in NSCLC via Dual Anchoring at Ser797 and Met793.
J.Med.Chem. 69 625 659 (2026)
PMID: 41428945 DOI: 10.1021/acs.jmedchem.5c02807
Primary Citation of related structures
9JQ1
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