4FOB

Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 1

4FOB の概要

• エントリーDOI: 10.2210/pdb4fob/pdb
• 関連するPDBエントリー: 4FNW 4FNX 4FNY 4FNZ 4FOC 4FOD
• 分子名称: ALK tyrosine kinase receptor, N-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl}-3-(prop-2-en-1-ylsulfamoyl)benzamide (3 entities in total)
• 機能のキーワード: receptor tyrosine kinase, inhibitor, crizotinib, neuroblastoma, cd246, phosphotransferase, npm-alk, eml4-alk, in situ proteolysis, transferase-inhibitor complex, 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: Q9UM73
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 40621.70

構造登録者

Whittington, D.A.,Epstein, L.F.,Chen, H. (登録日: 2012-06-20, 公開日: 2012-07-11, 最終更新日: 2024-02-28)

• 主引用文献: Lewis, R.T.,Bode, C.M.,Choquette, D.M.,Potashman, M.,Romero, K.,Stellwagen, J.C.,Teffera, Y.,Moore, E.,Whittington, D.A.,Chen, H.,Epstein, L.F.,Emkey, R.,Andrews, P.S.,Yu, V.L.,Saffran, D.C.,Xu, M.,Drew, A.,Merkel, P.,Szilvassy, S.,Brake, R.L.; The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer.; J.Med.Chem., 55:6523-6540, 2012; PubMed: 22734674; DOI: 10.1021/jm3005866

実験手法

X-RAY DIFFRACTION (1.9 Å)