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TitleSynthetic, enzyme kinetic, and protein crystallographic studies of C-beta-d-glucopyranosyl pyrroles and imidazoles reveal and explain low nanomolar inhibition of human liver glycogen phosphorylase.
Journal, issue, pagesEur. J. Med. Chem., Vol. 123, Page 737-745, Year 2016
Publish dateMay 9, 2016 (structure data deposition date)
AuthorsKantsadi, A.L. / Bokor, E. / Kun, S. / Stravodimos, G.A. / Chatzileontiadou, D.S. / Leonidas, D.D. / Juhasz-Toth, E. / Szakacs, A. / Batta, G. / Docsa, T. ...Kantsadi, A.L. / Bokor, E. / Kun, S. / Stravodimos, G.A. / Chatzileontiadou, D.S. / Leonidas, D.D. / Juhasz-Toth, E. / Szakacs, A. / Batta, G. / Docsa, T. / Gergely, P. / Somsak, L.
External linksEur. J. Med. Chem. / PubMed:27522507
MethodsX-ray diffraction
Resolution1.8 - 1.85 Å
Structure data

PDB-5jtt:
Crystal structure of GPb in complex with 8a
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-5jtu:
Crystal structure of GPb in complex with 8b
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-5lre:
Crystal structure of Glycogen Phosphorylase b in complex with KS382
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-PLP:
PYRIDOXAL-5'-PHOSPHATE

ChemComp-6MY:
(1S)-1,5-anhydro-1-(5-phenyl-1H-imidazol-2-yl)-D-glucitol

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

ChemComp-6NE:
(1S)-1,5-anhydro-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]-D-glucitol

ChemComp-KS3:
(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{H}-1,2,4-triazol-5-yl)oxane-3,4,5-triol

Source
  • oryctolagus cuniculus (rabbit)
KeywordsTRANSFERASE / alpha and beta protein transferase / alpha and beta protein

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