5KDH

CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A DIHYDROPYRIDOPYRIMIDINE SCAFFOLD INHIBITOR

5KDH の概要

• エントリーDOI: 10.2210/pdb5kdh/pdb
• 関連するPDBエントリー: 5KJ0
• 分子名称: Bromodomain-containing protein 4, (5~{S})-1-ethyl-5-(4-methylphenyl)-8,9-dihydro-5~{H}-furo[3,4]pyrido[3,5-~{b}]pyrimidine-2,4,6-trione, 1,2-ETHANEDIOL, ... (5 entities in total)
• 機能のキーワード: bromodomain, cap, hunk1, mcap, protein binding-inhibitor complex, mitotic chromosome associated protein, cell cycle, inhibitor, 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: 15692.92

構造登録者

Zhu, J.-Y.,Schonbrunn, E. (登録日: 2016-06-08, 公開日: 2017-08-02, 最終更新日: 2023-09-27)

• 主引用文献: Ayoub, A.M.,Hawk, L.M.L.,Herzig, R.J.,Jiang, J.,Wisniewski, A.J.,Gee, C.T.,Zhao, P.,Zhu, J.Y.,Berndt, N.,Offei-Addo, N.K.,Scott, T.G.,Qi, J.,Bradner, J.E.,Ward, T.R.,Schonbrunn, E.,Georg, G.I.,Pomerantz, W.C.K.; BET Bromodomain Inhibitors with One-Step Synthesis Discovered from Virtual Screen.; J. Med. Chem., 60:4805-4817, 2017; PubMed: 28535045; DOI: 10.1021/acs.jmedchem.6b01336

実験手法

X-RAY DIFFRACTION (1.5 Å)