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Structure paper

TitleNanomolar Inhibitors of Glycogen Phosphorylase Based on beta-d-Glucosaminyl Heterocycles: A Combined Synthetic, Enzyme Kinetic, and Protein Crystallography Study.
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 9251-9262, Year 2017
Publish dateMay 31, 2017 (structure data deposition date)
AuthorsBokor, E. / Kyriakis, E. / Solovou, T.G.A. / Koppany, C. / Kantsadi, A.L. / Szabo, K.E. / Szakacs, A. / Stravodimos, G.A. / Docsa, T. / Skamnaki, V.T. ...Bokor, E. / Kyriakis, E. / Solovou, T.G.A. / Koppany, C. / Kantsadi, A.L. / Szabo, K.E. / Szakacs, A. / Stravodimos, G.A. / Docsa, T. / Skamnaki, V.T. / Zographos, S.E. / Gergely, P. / Leonidas, D.D. / Somsak, L.
External linksJ. Med. Chem. / PubMed:28925695
MethodsX-ray diffraction
Resolution1.9 - 2.45 Å
Structure data

PDB-5o50:
Glycogen Phosphorylase b in complex with 33a
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-5o52:
Glycogen Phosphorylase b in complex with 33b
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-5o54:
Glycogen Phosphorylase b in complex with 29a
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

PDB-5o56:
Glycogen Phosphorylase b in complex with 29b
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

Chemicals

ChemComp-PLP:
PYRIDOXAL-5'-PHOSPHATE

ChemComp-9L2:
(2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(4-phenyl-1~{H}-imidazol-2-yl)oxane-3,4-diol

ChemComp-IMP:
INOSINIC ACID

ChemComp-HOH:
WATER

ChemComp-9LE:
(2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1~{H}-imidazol-2-yl)oxane-3,4-diol

ChemComp-9LB:
(2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(5-phenyl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4-diol

ChemComp-9L8:
(2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{H}-1,2,4-triazol-5-yl)oxane-3,4-diol

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

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