7RXO

Crystal structure of CDK2 liganded with compound WN333

7RXO の概要

• エントリーDOI: 10.2210/pdb7rxo/pdb
• 分子名称: Cyclin-dependent kinase 2, 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(methoxycarbonyl)benzoic acid, ... (4 entities in total)
• 機能のキーワード: allosteric inhibitor, drug development, kinase, cell cycle, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34376.91

構造登録者

Sun, L.,Schonbrunn, E. (登録日: 2021-08-23, 公開日: 2022-08-31, 最終更新日: 2023-10-25)

• 主引用文献: Faber, E.B.,Wang, N.,John, K.,Sun, L.,Wong, H.L.,Burban, D.,Francis, R.,Tian, D.,Hong, K.H.,Yang, A.,Wang, L.,Elsaid, M.,Khalid, H.,Levinson, N.M.,Schonbrunn, E.,Hawkinson, J.E.,Georg, G.I.; Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.; J.Med.Chem., 66:1928-1940, 2023; PubMed: 36701569; DOI: 10.1021/acs.jmedchem.2c01731

実験手法

X-RAY DIFFRACTION (1.38 Å)