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Structure paper

TitleStructure-based design of novel human Pin1 inhibitors (I).
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 19, Page 5613-5616, Year 2009
Publish dateAug 5, 2009 (structure data deposition date)
AuthorsGuo, C. / Hou, X. / Dong, L. / Dagostino, E. / Greasley, S. / Ferre, R. / Marakovits, J. / Johnson, M.C. / Matthews, D. / Mroczkowski, B. ...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.
External linksBioorg. Med. Chem. Lett. / PubMed:19729306
MethodsX-ray diffraction
Resolution1.85 - 2 Å
Structure data

PDB-3ik8:
Structure-Based Design of Novel PIN1 Inhibitors (I)
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-3ikd:
Structure-Based Design of Novel PIN1 Inhibitors (I)
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3ikg:
Structure-Based Design of Novel PIN1 Inhibitors (I)
Method: X-RAY DIFFRACTION / Resolution: 1.86 Å

Chemicals

ChemComp-HOH:
WATER

ChemComp-J9Z:
(2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-phenylpropyl phosphate

ChemComp-J8Z:
(2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-(3-methylphenyl)propyl phosphate

Source
  • homo sapiens (human)
KeywordsISOMERASE / SBDD / PPIase / Cell cycle / Nucleus / Phosphoprotein / Rotamase / Small Molecule / PEPTIDYL-PROLYL CIS-TRANS ISOMERASE

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