6CJ1

Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG071

6CJ1 の概要

• エントリーDOI: 10.2210/pdb6cj1/pdb
• 分子名称: Bromodomain-containing protein 4, 11-[(2R)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, 11-[(2S)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, ... (6 entities in total)
• 機能のキーワード: kinase, inhibitor, brd4, transcription, transcription-inhibitor complex, transcription/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: 16376.90

構造登録者

Xu, X.,Blacklow, S.C. (登録日: 2018-02-25, 公開日: 2018-08-29, 最終更新日: 2023-10-04)

• 主引用文献: Wang, J.,Erazo, T.,Ferguson, F.M.,Buckley, D.L.,Gomez, N.,Munoz-Guardiola, P.,Dieguez-Martinez, N.,Deng, X.,Hao, M.,Massefski, W.,Fedorov, O.,Offei-Addo, N.K.,Park, P.M.,Dai, L.,DiBona, A.,Becht, K.,Kim, N.D.,McKeown, M.R.,Roberts, J.M.,Zhang, J.,Sim, T.,Alessi, D.R.,Bradner, J.E.,Lizcano, J.M.,Blacklow, S.C.,Qi, J.,Xu, X.,Gray, N.S.; Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.; ACS Chem. Biol., 13:2438-2448, 2018; PubMed: 30102854; DOI: 10.1021/acschembio.7b00638

実験手法

X-RAY DIFFRACTION (1.53 Å)