7F0M

Crystal Structure of human Pin1 complexed with a potent covalent inhibitor

7F0M の概要

• エントリーDOI: 10.2210/pdb7f0m/pdb
• 分子名称: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, 8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ... (4 entities in total)
• 機能のキーワード: covalent, inhibitor, complex, isomerase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 84551.70

構造登録者

Liu, L.,Li, J. (登録日: 2021-06-05, 公開日: 2022-02-16, 最終更新日: 2023-11-29)

• 主引用文献: Liu, L.,Zhu, R.,Li, J.,Pei, Y.,Wang, S.,Xu, P.,Wang, M.,Wen, Y.,Zhang, H.,Du, D.,Ding, H.,Jiang, H.,Chen, K.,Zhou, B.,Yu, L.,Luo, C.; Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).; J.Med.Chem., 65:2174-2190, 2022; PubMed: 35089030; DOI: 10.1021/acs.jmedchem.1c01686

実験手法

X-RAY DIFFRACTION (1.9 Å)