5FEE
EGFR kinase domain T790M mutant in complex with a covalent aminobenzimidazole inhibitor.
Summary for 5FEE
Entry DOI | 10.2210/pdb5fee/pdb |
Related | 5FED |
Descriptor | Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (3 entities in total) |
Functional Keywords | kinase, inhibitor, covalently bound, t790m, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Homo sapiens (Human) |
Cellular location | Cell membrane; Single-pass type I membrane protein. Isoform 2: Secreted: P00533 |
Total number of polymer chains | 1 |
Total formula weight | 37863.78 |
Authors | DiDonato, M.,Spraggon, G. (deposition date: 2015-12-16, release date: 2016-07-27, Last modification date: 2023-09-27) |
Primary citation | Lelais, G.,Epple, R.,Marsilje, T.H.,Long, Y.O.,McNeill, M.,Chen, B.,Lu, W.,Anumolu, J.,Badiger, S.,Bursulaya, B.,DiDonato, M.,Fong, R.,Juarez, J.,Li, J.,Manuia, M.,Mason, D.E.,Gordon, P.,Groessl, T.,Johnson, K.,Jia, Y.,Kasibhatla, S.,Li, C.,Isbell, J.,Spraggon, G.,Bender, S.,Michellys, P.Y. Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers. J.Med.Chem., 59:6671-6689, 2016 Cited by PubMed: 27433829DOI: 10.1021/acs.jmedchem.5b01985 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.7 Å) |
Structure validation
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