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Structure paper

TitleThermodynamic characterization of allosteric glycogen phosphorylase inhibitors.
Journal, issue, pagesBiochemistry, Vol. 47, Page 4683-4691, Year 2008
Publish dateFeb 29, 2008 (structure data deposition date)
AuthorsAnderka, O. / Loenze, P. / Klabunde, T. / Dreyer, M.K. / Defossa, E. / Wendt, K.U. / Schmoll, D.
External linksBiochemistry / PubMed:18373353
MethodsX-ray diffraction
Resolution2.47 - 3.3 Å
Structure data

PDB-3ceh:
Human liver glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE5688
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-3cej:
Human glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE2865
Method: X-RAY DIFFRACTION / Resolution: 3.3 Å

PDB-3cem:
Human glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE9423
Method: X-RAY DIFFRACTION / Resolution: 2.47 Å

Chemicals

ChemComp-NBG:
N-acetyl-beta-D-glucopyranosylamine

ChemComp-PO4:
PHOSPHATE ION

ChemComp-PLP:
PYRIDOXAL-5'-PHOSPHATE

ChemComp-AVE:
4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-HOH:
WATER

ChemComp-AVF:
1-{2-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid

ChemComp-AVD:
1-(2-carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / protein ligand complex / tense state / allosteric inhibitor / Allosteric enzyme / Carbohydrate metabolism / Disease mutation / Glycogen metabolism / Glycogen storage disease / Glycosyltransferase / Nucleotide-binding / Phosphoprotein / Pyridoxal phosphate

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