6TPX

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1-((1-acetylpiperidin-4-yl)methyl)-2-(4-hydroxy-3,5-dimethylphenyl)-N-methyl-1H-benzo[d]imidazole-5-carboxamide

これはPDB形式変換不可エントリーです。

6TPX の概要

• エントリーDOI: 10.2210/pdb6tpx/pdb
• 分子名称: Bromodomain-containing protein 4, 2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{N}-methyl-benzimidazole-5-carboxamide, 1,2-ETHANEDIOL, ... (4 entities in total)
• 機能のキーワード: inhibitor, histone, epigenetic reader, bromodomain, brd4, bromodomain containing protein 4, antagonist, transcription
• 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: 15720.11

構造登録者

Chung, C. (登録日: 2019-12-15, 公開日: 2020-01-15, 最終更新日: 2024-05-01)

• 主引用文献: Wellaway, C.R.,Amans, D.,Bamborough, P.,Barnett, H.,Bit, R.A.,Brown, J.A.,Carlson, N.R.,Chung, C.W.,Cooper, A.W.J.,Craggs, P.D.,Davis, R.P.,Dean, T.W.,Evans, J.P.,Gordon, L.,Harada, I.L.,Hirst, D.J.,Humphreys, P.G.,Jones, K.L.,Lewis, A.J.,Lindon, M.J.,Lugo, D.,Mahmood, M.,McCleary, S.,Medeiros, P.,Mitchell, D.J.,O'Sullivan, M.,Le Gall, A.,Patel, V.K.,Patten, C.,Poole, D.L.,Shah, R.R.,Smith, J.E.,Stafford, K.A.J.,Thomas, P.J.,Vimal, M.,Wall, I.D.,Watson, R.J.,Wellaway, N.,Yao, G.,Prinjha, R.K.; Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.; J.Med.Chem., 63:714-746, 2020; PubMed: 31904959; DOI: 10.1021/acs.jmedchem.9b01670

実験手法

X-RAY DIFFRACTION (1.48 Å)