8HV9

Crystal structure of EGFR_TMX in complex with covalently bound fragment 12

Summary for 8HV9

Entry DOI	10.2210/pdb8hv9/pdb
Descriptor	Epidermal growth factor receptor, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ~{N}-(4-phenylpyridin-2-yl)prop-2-enamide, ... (5 entities in total)
Functional Keywords	epidermal growth factor receptor kinase, covalent fragments, mutant egfr, anti-cancer, transferase
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	38234.21
Authors	Dokurno, P. (deposition date: 2022-12-26, release date: 2023-12-13, Last modification date: 2024-04-03)
Primary citation	Kuki, N.,Walmsley, D.L.,Kanai, K.,Takechi, S.,Yoshida, M.,Murakami, R.,Takano, K.,Tominaga, Y.,Takahashi, M.,Ito, S.,Nakao, N.,Angove, H.,Baker, L.M.,Carter, E.,Dokurno, P.,Le Strat, L.,Macias, A.T.,Molyneaux, C.A.,Murray, J.B.,Surgenor, A.E.,Hamada, T.,Hubbard, R.E. A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase. Rsc Med Chem, 14:2731-2737, 2023 Cited by PubMed: 38107172 DOI: 10.1039/d3md00439b PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.5 Å)

Structure validation