Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC analog, (E)-6-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)hex-5-enoic acid

Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC analog, (E)-6-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)hex-5-enoic acid Descriptor: 6-{4-[(1S,4S,6S)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid, Estrogen receptor, Nuclear receptor coactivator 2 Authors: Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. Deposit date: 2016-10-13 Release date: 2017-01-18 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.2 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

本数据集收录了雌激素受体α（ER-α）配体结合域（Y537S突变体）与OBHS-ASC类似物(E)-6-(4-((1R,4S,6R)-6-((4-溴苯氧基)磺酰基)-3-(4-羟苯基)-7-氧杂双环[2.2.1]庚-2-烯-2-基)苯基)己-5-烯酸的复合物晶体结构。该复合物的配体为6-{4-[(1S,4S,6S)-6-[(4-溴苯氧基)磺酰基]-3-(4-羟苯基)-7-氧杂双环[2.2.1]庚-2-烯-2-基]苯基}己-5-烯酸，研究涉及的靶标包括雌激素受体（Estrogen receptor）与核受体辅激活因子2（Nuclear receptor coactivator 2）。本数据集的作者为Nwachukwu, J.C.、Srinivasan, S.、Bruno, N.E.、Nowak, J.、Kojetin, D.J.、Elemento, O.、Katzenellenbogen, J.A.、Nettles, K.W.。数据集沉积日期为2016年10月13日，正式发布日期为2017年1月18日，末次更新日期为2024年3月6日。结构解析采用X射线衍射（X-RAY DIFFRACTION）技术，分辨率为2.2 Å。相关引用文献为：《配体对ERα的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响应》，发表于*Cell Chem Biol* 2017年第24卷。