5FEQ

EGFR KINASE DOMAIN IN COMPLEX WITH A COVALENT AMINOBENZIMIDAZOLE

5FEQ の概要

• エントリーDOI: 10.2210/pdb5feq/pdb
• 関連するPDBエントリー: 5FED 5FEE
• 分子名称: Epidermal growth factor receptor, ~{N}-[1-[(3~{R})-1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methyl-benzimidazol-2-yl]-2-methyl-pyridine-4-carboxamide (3 entities in total)
• 機能のキーワード: kinase, inhibitor, covalently bound, t790m, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cell membrane; Single-pass type I membrane protein. Isoform 2: Secreted: P00533
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 37865.88

構造登録者

DiDonato, M.,Spraggon, G. (登録日: 2015-12-17, 公開日: 2016-07-27, 最終更新日: 2023-09-27)

• 主引用文献: 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; PubMed: 27433829; DOI: 10.1021/acs.jmedchem.5b01985

実験手法

X-RAY DIFFRACTION (3.4 Å)