3IKD

Structure-Based Design of Novel PIN1 Inhibitors (I)

Summary for 3IKD

Entry DOI	10.2210/pdb3ikd/pdb
Related	3I6C 3IK8 3IKG
Descriptor	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-phenylpropyl phosphate (3 entities in total)
Functional Keywords	sbdd, ppiase, cell cycle, isomerase, small molecule, nucleus, phosphoprotein, rotamase
Biological source	Homo sapiens (human)
Cellular location	Nucleus: Q13526
Total number of polymer chains	2
Total formula weight	28103.12
Authors	Matthews, D.,Greasley, S.,Ferre, R.,Parge, H. (deposition date: 2009-08-05, release date: 2009-09-22, Last modification date: 2024-02-21)
Primary citation	Guo, C.,Hou, X.,Dong, L.,Dagostino, E.,Greasley, S.,Ferre, R.,Marakovits, J.,Johnson, M.C.,Matthews, D.,Mroczkowski, B.,Parge, H.,Vanarsdale, T.,Popoff, I.,Piraino, J.,Margosiak, S.,Thomson, J.,Los, G.,Murray, B.W. Structure-based design of novel human Pin1 inhibitors (I). Bioorg.Med.Chem.Lett., 19:5613-5616, 2009 Cited by PubMed: 19729306 DOI: 10.1016/j.bmcl.2009.08.034 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation