4WIV

Crystal Structure of the first bromodomain of human BRD4 in complex with a novel inhibitor UMB32 (N-TERT-BUTYL-2-[4-(3,5-DIMETHYL-1,2-OXAZOL-4-YL) PHENYL]IMIDAZO[1,2-A]PYRAZIN-3-AMINE)

4WIV の概要

• エントリーDOI: 10.2210/pdb4wiv/pdb
• 分子名称: Bromodomain-containing protein 4, N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine, 1,2-ETHANEDIOL, ... (5 entities in total)
• 機能のキーワード: drug discovery, epigenesis, structure-activity relationship, tumor, transcription-transcription inhibitor complex, transcription/transcription inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Nucleus: O60885
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 15769.14

構造登録者

Xu, X.,Blacklow, S. (登録日: 2014-09-26, 公開日: 2014-10-29, 最終更新日: 2023-09-27)

• 主引用文献: McKeown, M.R.,Shaw, D.L.,Fu, H.,Liu, S.,Xu, X.,Marineau, J.J.,Huang, Y.,Zhang, X.,Buckley, D.L.,Kadam, A.,Zhang, Z.,Blacklow, S.C.,Qi, J.,Zhang, W.,Bradner, J.E.; Biased multicomponent reactions to develop novel bromodomain inhibitors.; J.Med.Chem., 57:9019-9027, 2014; PubMed: 25314271; DOI: 10.1021/jm501120z

実験手法

X-RAY DIFFRACTION (1.56 Å)