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: 25091930 DOI: 10.1016/j.bmcl.2014.07.044 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.75 Å)

Structure validation