8FOW

Ternary complex of CDK2 with small molecule ligands TW8672 and Dinaciclib

8FOW の概要

• エントリーDOI: 10.2210/pdb8fow/pdb
• 分子名称: Cyclin-dependent kinase 2, 1,2-ETHANEDIOL, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, ... (5 entities in total)
• 機能のキーワード: allosteric, inhibitor, cell cycle, transferase
• 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: 34823.44

構造登録者

Schonbrunn, E.,Sun, L. (登録日: 2023-01-03, 公開日: 2023-05-31, 最終更新日: 2023-10-25)

• 主引用文献: Faber, E.B.,Sun, L.,Tang, J.,Roberts, E.,Ganeshkumar, S.,Wang, N.,Rasmussen, D.,Majumdar, A.,Hirsch, L.E.,John, K.,Yang, A.,Khalid, H.,Hawkinson, J.E.,Levinson, N.M.,Chennathukuzhi, V.,Harki, D.A.,Schonbrunn, E.,Georg, G.I.; Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.; Nat Commun, 14:3213-3213, 2023; PubMed: 37270540; DOI: 10.1038/s41467-023-38732-x

実験手法

X-RAY DIFFRACTION (1.6 Å)