5MHQ

CCT068127 in complex with CDK2

5MHQ の概要

• エントリーDOI: 10.2210/pdb5mhq/pdb
• 分子名称: Cyclin-dependent kinase 2, (2~{R},3~{S})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol (3 entities in total)
• 機能のキーワード: cell cycle, inhibitor, cdk2, cdk9, cell cycle-inhibitor complex, cell cycle/inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm, cytoskeleton, microtubule organizing center, centrosome: P24941
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 35173.82

構造登録者

Whittaker, S.R.,Barlow, C.,Martin, M.P.,Mancusi, C.,Wagner, S.,Barrie, E.,te Poele, R.,Sharp, S.,Brown, N.,Wilson, S.,Clarke, P.,Walton, M.I.,MacDonald, E.,Blagg, J.,Noble, M.E.M.,Garrett, M.D.,Workman, P. (登録日: 2016-11-25, 公開日: 2017-12-20, 最終更新日: 2018-03-14)

• 主引用文献: Whittaker, S.R.,Barlow, C.,Martin, M.P.,Mancusi, C.,Wagner, S.,Self, A.,Barrie, E.,Te Poele, R.,Sharp, S.,Brown, N.,Wilson, S.,Jackson, W.,Fischer, P.M.,Clarke, P.A.,Walton, M.I.,McDonald, E.,Blagg, J.,Noble, M.,Garrett, M.D.,Workman, P.; Molecular profiling and combinatorial activity of CCT068127: a potent CDK2 and CDK9 inhibitor.; Mol Oncol, 12:287-304, 2018; PubMed: 29063678; DOI: 10.1002/1878-0261.12148

実験手法

X-RAY DIFFRACTION (1.3 Å)