Crystal structure of VDR-LBD complexed with 22S-butyl-25-hydroxyphenyl-2-methylidene-19,26,27-trinor-25-oxo-1-hydroxyvitamin D3

Crystal structure of VDR-LBD complexed with 22S-butyl-25-hydroxyphenyl-2-methylidene-19,26,27-trinor-25-oxo-1-hydroxyvitamin D3 Descriptor: (4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl )cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(4-hydroxyphenyl)octan-1-one, Nuclear receptor coactivator 2, 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 (2.05 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-25-羟苯基-2-亚甲基-19,26,27-三去甲-25-氧代-1-羟基维生素D3复合的维生素D受体配体结合域（VDR-LBD）的晶体结构。描述符：(4S)-4-[(1R)-1-[(1R,3aS,4E,7aR)-7a-甲基-4-[2-[(3R,5R)-4-亚甲基-3,5-二羟基亚环己基]亚乙基]-2,3,3a,5,6,7-六氢-1H-茚-1-基]乙基]-1-(4-羟苯基)辛烷-1-酮、核受体辅激活因子2（Nuclear receptor coactivator 2）、维生素D3受体（Vitamin D3 receptor）。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（X-RAY DIFFRACTION），分辨率2.05埃（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受体配体结合域与配体复合物的晶体结构揭示完全拮抗作用的机制》，《药物化学杂志》（J. Med. Chem.），2017年，第60卷。