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TitleStructure-based design of novel human Pin1 inhibitors (II).
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 20, Page 2210-2214, Year 2010
Publish dateJul 6, 2009 (structure data deposition date)
AuthorsDong, L. / Marakovits, J. / Hou, X. / Guo, C. / Greasley, S. / Dagostino, E. / Ferre, R. / Johnson, M.C. / Kraynov, E. / Thomson, J. ...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.
External linksBioorg. Med. Chem. Lett. / PubMed:20207139
MethodsX-ray diffraction
Resolution1.3 - 1.87 Å
Structure data

PDB-3i6c:
Structure-Based Design of Novel PIN1 Inhibitors (II)
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-3jyj:
Structure-Based Design of Novel PIN1 Inhibitors (II)
Method: X-RAY DIFFRACTION / Resolution: 1.87 Å

Chemicals

ChemComp-GIA:
3-fluoro-N-(naphthalen-2-ylcarbonyl)-D-phenylalanine

ChemComp-HOH:
WATER

ChemComp-JZI:
(2R,4E)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid

Source
  • homo sapiens (human)
KeywordsISOMERASE / SBDD / Small Molecule / PPIase / Cell cycle / Nucleus / Phosphoprotein / Rotamase

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