5HVY

CDK8/CYCC IN COMPLEX WITH COMPOUND 20

5HVY の概要

• エントリーDOI: 10.2210/pdb5hvy/pdb
• 関連するPDBエントリー: 5CEI
• 分子名称: Cyclin-dependent kinase 8, Cyclin-C, N-{(3S)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl}-N'-{4-[(morpholin-4-yl)methyl]-3-(trifluoromethyl)phenyl}urea, ... (6 entities in total)
• 機能のキーワード: transferase-transcription complex, transferase/transcription
• 由来する生物種: Homo sapiens (Human); 詳細
• 細胞内の位置: Nucleus : P49336 P24863
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 81412.44

構造登録者

Kiefer, J.R.,Schneider, E.V.,Maskos, K.,Bergeron, P.,Koehler, M. (登録日: 2016-01-28, 公開日: 2016-04-20, 最終更新日: 2024-03-06)

主引用文献

Bergeron, P.,Koehler, M.F.,Blackwood, E.M.,Bowman, K.,Clark, K.,Firestein, R.,Kiefer, J.R.,Maskos, K.,McCleland, M.L.,Orren, L.,Ramaswamy, S.,Salphati, L.,Schmidt, S.,Schneider, E.V.,Wu, J.,Beresini, M.
Design and Development of a Series of Potent and Selective Type II Inhibitors of CDK8.
Acs Med.Chem.Lett., 7:595-600, 2016

PubMed Abstract: Using Sorafenib as a starting point, a series of potent and selective inhibitors of CDK8 was developed. When cocrystallized with CDK8 and cyclin C, these compounds exhibit a Type-II (DMG-out) binding mode.

PubMed: 27326333
DOI: 10.1021/acsmedchemlett.6b00044

実験手法

X-RAY DIFFRACTION (2.39 Å)