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TitleThe sigma-Hole Phenomenon of Halogen Atoms Forms the Structural Basis of the Strong Inhibitory Potency of C5 Halogen Substituted Glucopyranosyl Nucleosides towards Glycogen Phosphorylase  b
Journal, issue, pagesChemmedchem, Vol. 7, Page 722-732, Year 2012
Publish dateJul 25, 2011 (structure data deposition date)
AuthorsKantsadi, A.L. / Hayes, J.M. / Manta, S. / Skamnaki, V.T. / Kiritsis, C. / Psarra, A.M. / Koutsogiannis, Z. / Dimopoulou, A. / Theofanous, S. / Nikoleousakos, N. ...Kantsadi, A.L. / Hayes, J.M. / Manta, S. / Skamnaki, V.T. / Kiritsis, C. / Psarra, A.M. / Koutsogiannis, Z. / Dimopoulou, A. / Theofanous, S. / Nikoleousakos, N. / Zoumpoulakis, P. / Kontou, M. / Papadopoulos, G. / Zographos, S.E. / Komiotis, D. / Leonidas, D.D.
External linksChemmedchem / PubMed:22267166
MethodsX-ray diffraction
Resolution2.15 - 2.65 Å
Structure data

PDB-3t3d:
Glycogen phosphorylase b in complex with GlcU
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-3t3e:
Glycogen phosphorylase b in complex with GlcClU
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-3t3g:
Glycogen Phosphorylase b in complex with GlcBrU
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-3t3h:
Glycogen Phosphorylase b in complex with GlcIU
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-3t3i:
Glycogen Phosphorylase b in complex with GlcCF3U
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

Chemicals

ChemComp-CJB:
1-beta-D-glucopyranosylpyrimidine-2,4(1H,3H)-dione

ChemComp-HOH:
WATER

ChemComp-GPQ:
5-chloro-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione

ChemComp-GPU:
5-bromo-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione

ChemComp-GPV:
1-(beta-D-glucopyranosyl)-5-iodopyrimidine-2,4(1H,3H)-dione

ChemComp-GPW:
1-(beta-D-glucopyranosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione

Source
  • oryctolagus cuniculus (rabbit)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / a+b protein / transferase / muscle / TRANSFERASE-TRANSFERASE INHIBITOR complex

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