7F0M
Crystal Structure of human Pin1 complexed with a potent covalent inhibitor
Summary for 7F0M
Entry DOI | 10.2210/pdb7f0m/pdb |
Descriptor | 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) |
Functional Keywords | covalent, inhibitor, complex, isomerase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 4 |
Total formula weight | 84551.70 |
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 (1.9 Å) |
Structure validation
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