6CKX

Structure of CDK12/CycK in complex with a small molecule inhibitor N-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N-((1r,4r)-4-(quinazolin-2-ylamino)cyclohexyl)acetamide

6CKX の概要

• エントリーDOI: 10.2210/pdb6ckx/pdb
• 分子名称: Cyclin-dependent kinase 12, Cyclin-K, MAGNESIUM ION, ... (5 entities in total)
• 機能のキーワード: kinase, transferase, inhibitor, transferase-cell cycle-inhibitor complex, transferase-inhibitor complex, transferase/inhibitor
• 由来する生物種: Homo sapiens (Human); 詳細
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 145342.32

構造登録者

Klein, M.G. (登録日: 2018-03-01, 公開日: 2018-08-29, 最終更新日: 2018-09-26)

• 主引用文献: Ito, M.,Tanaka, T.,Toita, A.,Uchiyama, N.,Kokubo, H.,Morishita, N.,Klein, M.G.,Zou, H.,Murakami, M.,Kondo, M.,Sameshima, T.,Araki, S.,Endo, S.,Kawamoto, T.,Morin, G.B.,Aparicio, S.A.,Nakanishi, A.,Maezaki, H.,Imaeda, Y.; Discovery of 3-Benzyl-1-( trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-arylurea Derivatives as Novel and Selective Cyclin-Dependent Kinase 12 (CDK12) Inhibitors.; J. Med. Chem., 61:7710-7728, 2018; PubMed: 30067358; DOI: 10.1021/acs.jmedchem.8b00683

実験手法

X-RAY DIFFRACTION (2.8 Å)