The Fk1 domain of FKBP51 in complex with (2'R,5'S,12'R)-12'-cyclohexyl-2'-[2-(3,4-dimethoxyphenyl)ethyl]-3',19'-dioxa-10',13',16'-triazaspiro[cyclopropane-1,15'- tricyclo[18.3.1.0-5,10]tetracosane]-1'(24'),20',22'-triene-4',11',14',17'-tetrone

The Fk1 domain of FKBP51 in complex with (2'R,5'S,12'R)-12'-cyclohexyl-2'-[2-(3,4-dimethoxyphenyl)ethyl]-3',19'-dioxa-10',13',16'-triazaspiro[cyclopropane-1,15'- tricyclo[18.3.1.0-5,10]tetracosane]-1'(24'),20',22'-triene-4',11',14',17'-tetrone Descriptor: (2'R,5'S,12'R)-12'-cyclohexyl-2'-[2-(3,4-dimethoxyphenyl)ethyl]-3',19'-dioxa-10',13',16'-triazaspiro[cyclopropane-1,15'- tricyclo[18.3.1.0-5,10]tetracosane]-1'(24'),20',22'-triene-4',11',14',17'-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5 Authors: Voll, M.A, Meyners, C, Heymann, T, Merz, S, Purder, P, Bracher, A, Hausch, F. Deposit date: 2020-10-15 Release date: 2021-04-21 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.16 Å) Cite: Macrocyclic FKBP51 Ligands Define a Transient Binding Mode with Enhanced Selectivity. Angew.Chem.Int.Ed.Engl., 60, 2021

FK506结合蛋白51（FKBP51）的Fk1结构域与(2'R,5'S,12'R)-12'-环己基-2'-[2-(3,4-二甲氧基苯基)乙基]-3',19'-二氧杂-10',13',16'-三氮杂螺[环丙烷-1,15'-三环[18.3.1.0⁵,¹⁰]二十四烷]-1'(24'),20',22'-三烯-4',11',14',17'-四酮形成复合物。
描述：(2'R,5'S,12'R)-12'-环己基-2'-[2-(3,4-二甲氧基苯基)乙基]-3',19'-二氧杂-10',13',16'-三氮杂螺[环丙烷-1,15'-三环[18.3.1.0⁵,¹⁰]二十四烷]-1'(24'),20',22'-三烯-4',11',14',17'-四酮、肽基脯氨酰顺反异构酶FKBP51
作者：Voll, M.A.、Meyners, C.、Heymann, T.、Merz, S.、Purder, P.、Bracher, A.、Hausch, F.
提交日期：2020-10-15
发布日期：2021-04-21
最后修改日期：2024-01-31
实验方法：X射线衍射（分辨率1.16 Å）
引用文献：《大环FKBP51配体定义了一种具有增强选择性的瞬时结合模式》，Angew.Chem.Int.Ed.Engl.，第60卷，2021年