3I6C

Structure-Based Design of Novel PIN1 Inhibitors (II)

Summary for 3I6C

Entry DOI	10.2210/pdb3i6c/pdb
Descriptor	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, 3-fluoro-N-(naphthalen-2-ylcarbonyl)-D-phenylalanine (3 entities in total)
Functional Keywords	sbdd, small molecule, ppiase, cell cycle, isomerase, nucleus, phosphoprotein, rotamase
Biological source	Homo sapiens (human)
Cellular location	Nucleus: Q13526
Total number of polymer chains	2
Total formula weight	28336.43
Authors	Greasley, S.E.,Ferre, R.A. (deposition date: 2009-07-06, release date: 2010-04-21, Last modification date: 2024-02-21)
Primary citation	Dong, L.,Marakovits, J.,Hou, X.,Guo, C.,Greasley, S.,Dagostino, E.,Ferre, R.,Johnson, M.C.,Kraynov, E.,Thomson, J.,Pathak, V.,Murray, B.W. Structure-based design of novel human Pin1 inhibitors (II). Bioorg.Med.Chem.Lett., 20:2210-2214, 2010 Cited by PubMed: 20207139 DOI: 10.1016/j.bmcl.2010.02.033 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.3 Å)

Structure validation