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Structure paper

TitleDiscovery and SAR of novel, potent and selective protein tyrosine phosphatase 1B inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 13, Page 3129-3132, Year 2003
Publish dateJul 9, 2003 (structure data deposition date)
AuthorsPei, Z. / Li, X. / Liu, G. / Abad-Zapatero, C. / Lubben, T. / Zhang, T. / Ballaron, S.J. / Hutchins, C.W. / Trevillyan, J.M. / Jirousek, M.R.
External linksBioorg. Med. Chem. Lett. / PubMed:12951078
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-1pyn:
DUAL-SITE POTENT, SELECTIVE PROTEIN TYROSINE PHOSPHATASE 1B INHIBITOR USING A LINKED FRAGMENT STRATEGY AND A MALONATE HEAD ON THE FIRST SITE
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-941:
2-(4-{2-TERT-BUTOXYCARBONYLAMINO-2-[4-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-PHENOXY)-MALONIC ACID

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / PROTEIN TYROSINE PHOSPHATASE INHIBITED WITH DUAL SITE / MALONATE-CONTAINING INHIBITOR

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