Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 6-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)hexanoic acid

Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 6-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)hexanoic acid Descriptor: 6-{4-[(1S,4S,6R)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}hexanoic acid, Estrogen receptor, Nuclear receptor coactivator 2 Authors: Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. Deposit date: 2016-10-12 Release date: 2017-01-18 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.542 Å) Cite: Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017

雌激素受体α（Estrogen Receptor α, ER-α）配体结合结构域（Y537S突变体）与OBHS-ASC化合物的共晶结构，该复合物配体为6-(4-((1R,4S,6R)-6-((4-溴苯氧基)磺酰基)-3-(4-羟基苯基)-7-氧杂双环[2.2.1]庚-2-烯-2-基)苯氧基)己酸。
描述项：6-{4-[(1S,4S,6R)-6-[(4-溴苯氧基)磺酰基]-3-(4-羟基苯基)-7-氧杂双环[2.2.1]庚-2-烯-2-基]苯氧基}己酸、雌激素受体（Estrogen receptor）、核受体辅激活因子2（Nuclear receptor coactivator 2）。
作者：Nwachukwu, J.C.、Erumbi, R.、Srinivasan, S.、Bruno, N.E.、Nowak, J.、Izard, T.、Kojetin, D.J.、Elemento, O.、Katzenellenbogen, J.A.、Nettles, K.W.。
沉积日期：2016-10-12；发布日期：2017-01-18；最后修改日期：2024-03-06。
实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率2.542埃（Å）。
引用文献：《配体对ERα影响的系统结构生物学分析可预测细胞对环境雌激素与抗激素治疗的应答》，发表于《Cell Chemical Biology》2017年第24卷。