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Structure paper

TitleAnthranilimide based glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. Part 3: X-ray crystallographic characterization, core and urea optimization and in vivo efficacy.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 19, Page 1177-1182, Year 2009
Publish dateJun 4, 2008 (structure data deposition date)
AuthorsThomson, S.A. / Banker, P. / Bickett, D.M. / Boucheron, J.A. / Carter, H.L. / Clancy, D.C. / Cooper, J.P. / Dickerson, S.H. / Garrido, D.M. / Nolte, R.T. ...Thomson, S.A. / Banker, P. / Bickett, D.M. / Boucheron, J.A. / Carter, H.L. / Clancy, D.C. / Cooper, J.P. / Dickerson, S.H. / Garrido, D.M. / Nolte, R.T. / Peat, A.J. / Sheckler, L.R. / Sparks, S.M. / Tavares, F.X. / Wang, L. / Wang, T.Y. / Weiel, J.E.
External linksBioorg. Med. Chem. Lett. / PubMed:19138846
MethodsX-ray diffraction
Resolution1.8 - 2.57 Å
Structure data

PDB-3dd1:
Crystal structure of glycogen phophorylase complexed with an anthranilimide based inhibitor GSK254
Method: X-RAY DIFFRACTION / Resolution: 2.57 Å

PDB-3dds:
Crystal structure of glycogen phosphorylase complexed with an anthranilimide based inhibitor GSK261
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-3ddw:
Crystal structure of glycogen phosphorylase complexed with an anthranilimide based inhibitor GSK055
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

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

ChemComp-PLP:
PYRIDOXAL-5'-PHOSPHATE

ChemComp-CFF:
CAFFEINE / medication*YM

ChemComp-25D:
2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-D-alanine

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

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

ChemComp-HOH:
WATER

ChemComp-PO4:
PHOSPHATE ION

ChemComp-26B:
O-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-L-threonine

ChemComp-055:
(2S)-{[(3-{[(2-chloro-6-methylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]amino}(phenyl)ethanoic acid

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Glycogen Phosphorylase HLGP / Diabetes / Allosteric enzyme / Carbohydrate metabolism / Disease mutation / Glycogen metabolism / Glycogen storage disease / Glycosyltransferase / Nucleotide-binding / Phosphoprotein / Pyridoxal phosphate / GP / Glycogen Phosphorylase

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