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Structure paper

Title1-(3-Deoxy-3-fluoro-beta-d-glucopyranosyl) pyrimidine derivatives as inhibitors of glycogen phosphorylase b: Kinetic, crystallographic and modelling studies.
Journal, issue, pagesBioorg. Med. Chem., Vol. 18, Page 3413-3425, Year 2010
Publish dateDec 28, 2009 (structure data deposition date)
AuthorsTsirkone, V.G. / Tsoukala, E. / Lamprakis, C. / Manta, S. / Hayes, J.M. / Skamnaki, V.T. / Drakou, C. / Zographos, S.E. / Komiotis, D. / Leonidas, D.D.
External linksBioorg. Med. Chem. / PubMed:20430629
MethodsX-ray diffraction
Resolution1.86 - 2 Å
Structure data

PDB-3l79:
Crystal Structure of Glycogen Phosphorylase DK1 complex
Method: X-RAY DIFFRACTION / Resolution: 1.86 Å

PDB-3l7a:
Crystal Structure of Glycogen Phosphorylase DK2 complex
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-3l7b:
Crystal Structure of Glycogen Phosphorylase DK3 complex
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3l7c:
Crystal Structure of Glycogen Phosphorylase DK4 complex
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

PDB-3l7d:
Crystal Structure of Glycogen Phosphorylase DK5 complex
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-DKX:
1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione

ChemComp-HOH:
WATER

ChemComp-DKY:
1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1H)-one

ChemComp-DKZ:
4-amino-1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)pyrimidin-2(1H)-one

ChemComp-DK4:
1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)-5-fluoropyrimidine-2,4(1H,3H)-dione

ChemComp-DK5:
1-(2,3-dideoxy-3-fluoro-beta-D-arabino-hexopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1H)-one

Source
  • oryctolagus cuniculus (rabbit)
KeywordsTRANSFERASE / GLYCOGENOLYSIS / TYPE 2 DIABETES / allosteric enzyme / CARBOHYDRATE METABOLISM / GLYCOGEN METABOLISM / GLYCOSYLTRANSFERASE / NUCLEOTIDE-BINDING / PHOSPHORYLATION / PYRIDOXAL PHOSPHATE / Phosphoprotein

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