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Structure paper

TitleDiscovery of a New Phosphotyrosine Mimetic for PTP1B Using Breakaway Tethering
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 125, Page 5602-5603, Year 2003
Publish dateFeb 6, 2003 (structure data deposition date)
AuthorsErlanson, D.A. / McDowell, R.S. / He, M.M. / Randal, M. / Simmons, R.L. / Kung, J. / Waight, A. / Hansen, S.K.
External linksJ. Am. Chem. Soc. / PubMed:12733877
MethodsX-ray diffraction
Resolution2.4 - 3.1 Å
Structure data

PDB-1nwe:
Ptp1B R47C Modified at C47 with N-[4-(2-{2-[3-(2-Bromo-acetylamino)-propionylamino]-3-hydroxy-propionylamino}-ethyl)-phenyl]-oxalamic acid
Method: X-RAY DIFFRACTION / Resolution: 3.1 Å

PDB-1nwl:
Crystal structure of the PTP1B complexed with SP7343-SP7964, a pTyr mimetic
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-FG1:
N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)-PROPIONYLAMINO]-3-HYDROXY-PROPIONYLAMINO}-ETHYL)-PHENYL]-OXALAMIC ACID

ChemComp-MG:
Unknown entry

ChemComp-964:
3-(4-{2-[2-(2-BROMO-ACETYLAMINO)-ETHYLDISULFANYL]-ETHYLCARBAMOYL}-CYCLOHEXYLCARBAMOYL)-PYRAZINE-2-CARBOXYLIC ACID

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Acetylation / Phosphorylation / phospatase / phosphotyrosine mimetic / protein-small molecule inhibitor complex

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