7EKV

Crystal Structure of human Pin1 complexed with a covalent inhibitor

Summary for 7EKV

Entry DOI	10.2210/pdb7ekv/pdb
Descriptor	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, 8-(2-chloroacetyl)-4-((5-phenylfuran-2-yl)methyl)-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	covalent, inhibitor, complex, isomerase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	21131.92
Authors	Liu, L.,Li, J. (deposition date: 2021-04-06, 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 Cited by PubMed: 35089030 DOI: 10.1021/acs.jmedchem.1c01686 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.95 Å)

Structure validation