7EFJ

Crystal Structure Analysis of human PIN1

Summary for 7EFJ

• Entry DOI: 10.2210/pdb7efj/pdb
• Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, 8-(2-chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ... (4 entities in total)
• Functional Keywords: inhibitor, complex, isomerase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 21055.82

Authors

Liu, L.,Li, J. (deposition date: 2021-03-21, release date: 2022-02-16, Last modification date: 2023-11-29)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (1.992 Å)