6GJI

Cyclophilin A complexed with the tri-vector ligand 8.

6GJI の概要

• エントリーDOI: 10.2210/pdb6gji/pdb
• 分子名称: Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-[(1-methyl-1,2,3-triazol-4-yl)methyl]carbamoyl]amino]ethanoate, GLYCEROL, ... (4 entities in total)
• 機能のキーワード: cyclophilins, cypa, inhibitor, ppiase, complex, 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: 18474.98

構造登録者

Georgiou, C.,De Simone, A.,Walkinshaw, M.D.,Michel, J. (登録日: 2018-05-16, 公開日: 2018-11-07, 最終更新日: 2024-01-17)

• 主引用文献: De Simone, A.,Georgiou, C.,Ioannidis, H.,Gupta, A.A.,Juarez-Jimenez, J.,Doughty-Shenton, D.,Blackburn, E.A.,Wear, M.A.,Richards, J.P.,Barlow, P.N.,Carragher, N.,Walkinshaw, M.D.,Hulme, A.N.,Michel, J.; A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.; Chem Sci, 10:542-547, 2019; PubMed: 30746096; DOI: 10.1039/c8sc03831g

実験手法

X-RAY DIFFRACTION (1.6 Å)