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Structure paper

TitleHalogen-substituted (C-beta-D-glucopyranosyl)-hydroquinone regioisomers: synthesis, enzymatic evaluation and their binding to glycogen phosphorylase.
Journal, issue, pagesBioorg. Med. Chem., Vol. 19, Page 5125-5136, Year 2011
Publish dateJun 28, 2010 (structure data deposition date)
AuthorsAlexacou, K.M. / Zhang, Y.Z. / Praly, J.P. / Zographos, S.E. / Chrysina, E.D. / Oikonomakos, N.G. / Leonidas, D.D.
External linksBioorg. Med. Chem. / PubMed:21821421
MethodsX-ray diffraction
Resolution1.969 - 2.05 Å
Structure data

PDB-3np7:
Glycogen phosphorylase complexed with 2,5-dihydroxy-3-(beta-D-glucopyranosyl)-chlorobenzene and 2,5-dihydroxy-4-(beta-D-glucopyranosyl)-chlorobenzene
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-3np9:
Glycogen phosphorylase complexed with 3-(beta-D-glucopyranosyl)-2-hydroxy-5-methoxy-chlorobenzene
Method: X-RAY DIFFRACTION / Resolution: 1.999 Å

PDB-3npa:
Glycogen phosphorylase complexed with 2,5-dihydroxy-4-(beta-D-glucopyranosyl)-bromo-benzene
Method: X-RAY DIFFRACTION / Resolution: 1.969 Å

PDB-3s0j:
The crystal structure of glycogen phosphorylase b in complex with 2,5-dihydroxy-4-(beta-D-glucopyranosyl)-chlorobenzene
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-Z15:
(1S)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-D-glucitol

ChemComp-Z16:
(1S)-1,5-anhydro-1-(3-chloro-2,5-dihydroxyphenyl)-D-glucitol

ChemComp-HOH:
WATER

ChemComp-Z2T:
(1S)-1,5-anhydro-1-(3-chloro-2-hydroxy-5-methoxyphenyl)-D-glucitol

ChemComp-Z57:
(1S)-1,5-anhydro-1-(4-bromo-2,5-dihydroxyphenyl)-D-glucitol

Source
  • oryctolagus cuniculus (rabbit)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Glycogenolysis / type 2 diabetes / TRANSFERASE-TRANSFERASE INHIBITOR complex / TRANSFERASE

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