7EFX

Crystal Structure of human PIN1 complexed with covalent inhibitor

Summary for 7EFX

• Entry DOI: 10.2210/pdb7efx/pdb
• Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, 4-((5-bromofuran-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (3 entities in total)
• Functional Keywords: isomerase, inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 20764.28

Authors

Liu, L.,Li, J.,Zhu, R.,Pei, Y. (deposition date: 2021-03-23, 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 (2.41 Å)