8CCG

The Fk1 domain of FKBP51 in complex with (2R,5S,12S)-12-(thiophen-2-yl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15-dimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^5,^10]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone

8CCG の概要

• エントリーDOI: 10.2210/pdb8ccg/pdb
• 分子名称: Peptidyl-prolyl cis-trans isomerase FKBP5, (2~{R},5~{S},12~{S})-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15-dimethyl-12-thiophen-2-yl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone (3 entities in total)
• 機能のキーワード: fkbp51, safit, inhibitor, isomerase
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 14667.81

構造登録者

Meyners, C.,Knaup, F.H.,Walz, C.M.,Hausch, F. (登録日: 2023-01-27, 公開日: 2023-04-26, 最終更新日: 2024-02-07)

• 主引用文献: Knaup, F.H.,Meyners, C.,Sugiarto, W.O.,Wedel, S.,Springer, M.,Walz, C.,Geiger, T.M.,Schmidt, M.,Sisignano, M.,Hausch, F.; Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51.; J.Med.Chem., 66:5965-5980, 2023; PubMed: 37058391; DOI: 10.1021/acs.jmedchem.3c00249

実験手法

X-RAY DIFFRACTION (1.3 Å)