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 | |
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: 35089030DOI: 10.1021/acs.jmedchem.1c01686 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.41 Å) |
Structure validation
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