5DIU

The Fk1 domain of FKBP51 in complex with the new synthetic ligand 2-(3-((R)-1-((S)-1-((S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carboxamido)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid

5DIU の概要

• エントリーDOI: 10.2210/pdb5diu/pdb
• 分子名称: Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-1-[({(2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid (3 entities in total)
• 機能のキーワード: fk-506 binding domain, hsp90 cochaperone, immunophiline, peptidyl-prolyl isomerase, ligand selectivity, isomerase
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm: Q13451
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 14772.96

構造登録者

Gaali, S.,Feng, X.,Sippel, C.,Bracher, A.,Hausch, F. (登録日: 2015-09-01, 公開日: 2016-03-23, 最終更新日: 2024-01-10)

• 主引用文献: Gaali, S.,Feng, X.,Hahle, A.,Sippel, C.,Bracher, A.,Hausch, F.; Rapid, Structure-Based Exploration of Pipecolic Acid Amides as Novel Selective Antagonists of the FK506-Binding Protein 51.; J.Med.Chem., 59:2410-2422, 2016; PubMed: 26954324; DOI: 10.1021/acs.jmedchem.5b01355

実験手法

X-RAY DIFFRACTION (1.3 Å)