5KCV

Crystal structure of allosteric inhibitor, ARQ 092, in complex with autoinhibited form of AKT1

5KCV の概要

• エントリーDOI: 10.2210/pdb5kcv/pdb
• 分子名称: RAC-alpha serine/threonine-protein kinase, 3-[3-[4-(1-azanylcyclobutyl)phenyl]-5-phenyl-imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (3 entities in total)
• 機能のキーワード: akt, allosteric inhibitor, kinase inhibitor, transferase-inhibitor complex, transferase/inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm: P31749
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 53990.53

構造登録者

Eathiraj, S. (登録日: 2016-06-07, 公開日: 2016-06-29, 最終更新日: 2023-09-27)

• 主引用文献: Lapierre, J.M.,Eathiraj, S.,Vensel, D.,Liu, Y.,Bull, C.O.,Cornell-Kennon, S.,Iimura, S.,Kelleher, E.W.,Kizer, D.E.,Koerner, S.,Makhija, S.,Matsuda, A.,Moussa, M.,Namdev, N.,Savage, R.E.,Szwaya, J.,Volckova, E.,Westlund, N.,Wu, H.,Schwartz, B.; Discovery of 3-(3-(4-(1-Aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine (ARQ 092): An Orally Bioavailable, Selective, and Potent Allosteric AKT Inhibitor.; J.Med.Chem., 59:6455-6469, 2016; PubMed: 27305487; DOI: 10.1021/acs.jmedchem.6b00619

実験手法

X-RAY DIFFRACTION (2.7 Å)