9INR

Crystal structure of PIN1 in complex with inhibitor C3

This is a non-PDB format compatible entry.

Summary for 9INR

• Entry DOI: 10.2210/pdb9inr/pdb
• Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ~{N}-[(2~{S})-3-[1-[4-(4-cyanophenyl)phenyl]-1,2,3-triazol-4-yl]-1-[(3-oxidanylcyclobutyl)amino]-1-oxidanylidene-propan-2-yl]-1-phenyl-cyclopropane-1-carboxamide, SULFATE ION, ... (5 entities in total)
• Functional Keywords: inhibitor, complex, isomerase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 38386.56

Authors

Zhang, L.Y. (deposition date: 2024-07-08, release date: 2024-09-25)

• Primary citation: Liu, C.,Chen, Z.,Chen, T.,Song, H.,Shen, J.,Yuan, X.,Xia, S.,Liu, Q.,Chen, Q.,Tian, Q.,Meng, X.,Han, Z.,Dong, X.,Yang, Y.,Cai, L.,Cheng, X.,Jia, Y.,Liu, G.,Li, J.,Ge, J.,Dou, D.; Re-Evaluating PIN1 as a Therapeutic Target in Oncology Using Neutral Inhibitors and PROTACs.; J.Med.Chem., 67:15780-15795, 2024; PubMed: 39229909; DOI: 10.1021/acs.jmedchem.4c01412

Experimental method

X-RAY DIFFRACTION (1.93 Å)