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

Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline inhibitor Descriptor: 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 Authors: 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) Deposit date: 2015-11-03 Release date: 2016-11-16 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.08 Å) Cite: Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors. Bioorg. Med. Chem., 26, 2018

人类BRD2第二个溴结构域（bromodomain）与四氢喹啉类抑制剂结合的晶体结构
描述：含溴结构域蛋白2（Bromodomain-containing protein 2）、异丙基~N-[(2~S,4~R)-1-乙酰基-6-(呋喃-2-基)-2-甲基-3,4-二氢-2~H-喹啉-4-基]氨基甲酸酯
作者：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.、结构基因组学联合体（Structural Genomics Consortium, SGC）
提交日期：2015-11-03
发布日期：2016-11-16
最后修改日期：2024-05-08
实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率2.08埃（Å）
引用文献：利用水网络实现焓驱动的溴结构域选择性BET抑制剂。《Bioorg. Med. Chem.》，26卷，2018年