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3IKG

Structure-Based Design of Novel PIN1 Inhibitors (I)

Summary for 3IKG
Entry DOI10.2210/pdb3ikg/pdb
Related3I6C 3IK8 3IKD
DescriptorPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1, (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-(3-methylphenyl)propyl phosphate (3 entities in total)
Functional Keywordssbdd, ppiase, cell cycle, isomerase, small molecule, nucleus, phosphoprotein, rotamase, peptidyl-prolyl cis-trans isomerase
Biological sourceHomo sapiens (human)
Cellular locationNucleus : Q13526
Total number of polymer chains2
Total formula weight28131.17
Authors
Parge, H.,Ferre, R.A.,Greasley, S.,Matthews, D. (deposition date: 2009-08-05, release date: 2009-09-22, Last modification date: 2023-09-06)
Primary citationGuo, 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 (1.86 Å)
Structure validation

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