Crystal structure of VDR-LBD complexed with 22S-Butyl-25RS-(hydroxyphenyl)-25-methoxy-2-methylidene-19,26,27-trinor-1-hydroxyvitamin D3

Crystal structure of VDR-LBD complexed with 22S-Butyl-25RS-(hydroxyphenyl)-25-methoxy-2-methylidene-19,26,27-trinor-1-hydroxyvitamin D3 Descriptor: (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},3~{S})-3-[(3~{S})-3-(4-hydroxyphenyl)-3-methoxy-propyl]heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor Authors: Kato, A, Itoh, T, Yamamoto, K. Deposit date: 2017-06-03 Release date: 2018-06-06 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action J. Med. Chem., 60, 2017

与22S-丁基-25RS-(对羟苯基)-25-甲氧基-2-亚甲基-19,26,27-三去甲-1-羟基维生素D3结合的维生素D受体配体结合结构域（VDR-LBD）的晶体结构
描述符：(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3S)-3-[(3S)-3-(4-羟苯基)-3-甲氧基丙基]庚烷-2-基]-7a-甲基-2,3,3a,5,6,7-六氢-1H-茚-4-亚基]亚乙基]-2-亚甲基-环己烷-1,3-二醇、RNA聚合酶II转录中介体亚基1、维生素D3受体
作者：Kato, A、Itoh, T、Yamamoto, K
提交日期：2017-06-03
发布日期：2018-06-06
最后修改日期：2024-03-27
实验方法：X射线衍射（2.2 Å）
引用文献：《C25位带有对羟苯基基团的维生素D类似物：维生素D受体配体结合结构域与配体复合物的晶体结构揭示完全拮抗作用的分子机制》，《Journal of Medicinal Chemistry》，第60卷，2017年