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Structure paper

TitleMonocyclic thiophenes as protein tyrosine phosphatase 1B inhibitors: Capturing interactions with Asp48.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 16, Page 4941-4945, Year 2006
Publish dateMay 24, 2006 (structure data deposition date)
AuthorsWan, Z.K. / Lee, J. / Xu, W. / Erbe, D.V. / Joseph-McCarthy, D. / Follows, B.C. / Zhang, Y.L.
External linksBioorg. Med. Chem. Lett. / PubMed:16806920
MethodsX-ray diffraction
Resolution2 - 2.5 Å
Structure data

PDB-2h4g:
Crystal structure of PTP1B with monocyclic thiophene inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-2h4k:
Crystal structure of PTP1B with a monocyclic thiophene inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-2hb1:
Crystal Structure of PTP1B with Monocyclic Thiophene Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-694:
4-BROMO-3-(CARBOXYMETHOXY)-5-(4-HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID

ChemComp-HOH:
WATER

ChemComp-509:
4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID

ChemComp-512:
4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Protein-drug complex / protein-drug complex structure / protein-inhibitor complex

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