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Structure paper

Titlevan der Waals interactions govern C-beta-d-glucopyranosyl triazoles' nM inhibitory potency in human liver glycogen phosphorylase.
Journal, issue, pagesJ. Struct. Biol., Vol. 199, Page 57-67, Year 2017
Publish dateAug 18, 2016 (structure data deposition date)
AuthorsKantsadi, A.L. / Stravodimos, G.A. / Kyriakis, E. / Chatzileontiadou, D.S.M. / Solovou, T.G.A. / Kun, S. / Bokor, E. / Somsak, L. / Leonidas, D.D.
External linksJ. Struct. Biol. / PubMed:28483603
MethodsX-ray diffraction
Resolution1.75 - 2 Å
Structure data

PDB-5lrc:
Crystal structure of Glycogen Phosphorylase in complex with KS114
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-5lrd:
Crystal structure of Glycogen Phosphorylase b in complex with KS242
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-5lrf:
Crystal structure of Glycogen Phosphorylase b in complex with KS389
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

Chemicals

ChemComp-PLP:
PYRIDOXAL-5'-PHOSPHATE

ChemComp-73E:
(1S)-1,5-anhydro-1-[3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]-D-glucitol

ChemComp-HOH:
WATER

ChemComp-KS2:
(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-methylphenyl)-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol

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

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

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