4TYO
PPIase in complex with a non-phosphate small molecule inhibitor.
Summary for 4TYO
Entry DOI | 10.2210/pdb4tyo/pdb |
Related | 3I6C 3IK8 3IKD 3IKG 3JYJ |
Descriptor | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(naphthalen-2-ylcarbonyl)-D-alanine, GLYCEROL, ... (4 entities in total) |
Functional Keywords | sbdd, ppiase, cell cycle, isomerase, small molecule, nucleus, phosphoprotein, rotamase, peptidyl-prolyl cis-trans isomerase, isomerase-isomerase inhibitor complex, isomerase/isomerase inhibitor |
Biological source | Homo sapiens (Human) |
Cellular location | Nucleus : Q13526 |
Total number of polymer chains | 2 |
Total formula weight | 28263.32 |
Authors | Greasley, S.E.,Ferre, R.A. (deposition date: 2014-07-08, release date: 2014-08-20, Last modification date: 2023-12-27) |
Primary citation | Guo, C.,Hou, X.,Dong, L.,Marakovits, J.,Greasley, S.,Dagostino, E.,Ferre, R.,Catherine Johnson, M.,Humphries, P.S.,Li, H.,Paderes, G.D.,Piraino, J.,Kraynov, E.,Murray, B.W. Structure-based design of novel human Pin1 inhibitors (III): Optimizing affinity beyond the phosphate recognition pocket. Bioorg.Med.Chem.Lett., 24:4187-4191, 2014 Cited by PubMed: 25091930DOI: 10.1016/j.bmcl.2014.07.044 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.75 Å) |
Structure validation
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