5EK9

Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline inhibitor

5EK9 の概要

• エントリーDOI: 10.2210/pdb5ek9/pdb
• 分子名称: Bromodomain-containing protein 2, propan-2-yl ~{N}-[(2~{S},4~{R})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate (3 entities in total)
• 機能のキーワード: chromatin and transcription regulator, acetylation, structural genomics, structural genomics consortium, sgc, transcription
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Nucleus : P25440
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 27463.65

構造登録者

Tallant, C.,Slavish, P.J.,Siejka, P.,Bharatham, N.,Shadrick, W.R.,Chai, S.,Young, B.M.,Boyd, V.A.,Heroven, C.,Picaud, S.,Fedorov, O.,Chen, T.,Lee, R.E.,Guy, R.K.,Shelat, A.A.,von Delft, F.,Arrowsmith, C.H.,Edwards, A.M.,Bountra, C.,Knapp, S.,Structural Genomics Consortium (SGC) (登録日: 2015-11-03, 公開日: 2016-11-16, 最終更新日: 2024-05-08)

• 主引用文献: Shadrick, W.R.,Slavish, P.J.,Chai, S.C.,Waddell, B.,Connelly, M.,Low, J.A.,Tallant, C.,Young, B.M.,Bharatham, N.,Knapp, S.,Boyd, V.A.,Morfouace, M.,Roussel, M.F.,Chen, T.,Lee, R.E.,Kiplin Guy, R.,Shelat, A.A.,Potter, P.M.; Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors.; Bioorg. Med. Chem., 26:25-36, 2018; PubMed: 29170024; DOI: 10.1016/j.bmc.2017.10.042

実験手法

X-RAY DIFFRACTION (2.08 Å)