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Structure paper

TitleStructure-based approach to the identification of a novel group of selective glucosamine analogue inhibitors of Trypanosoma cruzi glucokinase.
Journal, issue, pagesMol. Biochem. Parasitol., Vol. 204, Page 64-76, Year 2016
Publish dateMay 30, 2015 (structure data deposition date)
AuthorsD'Antonio, E.L. / Deinema, M.S. / Kearns, S.P. / Frey, T.A. / Tanghe, S. / Perry, K. / Roy, T.A. / Gracz, H.S. / Rodriguez, A. / D'Antonio, J.
External linksMol. Biochem. Parasitol. / PubMed:26778112
MethodsX-ray diffraction
Resolution1.9 - 2.5 Å
Structure data

PDB-5brd:
Crystal structure of Trypanosoma cruzi glucokinase in complex with inhibitor BENZ-GlcN
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-5bre:
Crystal structure of Trypanosoma cruzi glucokinase in complex with inhibitor CBZ-GlcN
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-5brf:
Crystal structure of Trypanosoma cruzi glucokinase in complex with inhibitor HPOP-GlcN
Method: X-RAY DIFFRACTION / Resolution: 2.102 Å

PDB-5brh:
Crystal structure of Trypanosoma cruzi glucokinase in complex with inhibitor DBT-GlcN
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-BG8:
2-(benzoylamino)-2-deoxy-beta-D-glucopyranose

ChemComp-HOH:
WATER

ChemComp-4UZ:
2-{[(benzyloxy)carbonyl]amino}-2-deoxy-beta-D-glucopyranose

ChemComp-4V5:
2-deoxy-2-{[3-(4-hydroxyphenyl)propanoyl]amino}-alpha-D-glucopyranose

ChemComp-4V3:
2-deoxy-2-({[(1,1-dioxido-1-benzothiophen-2-yl)methoxy]carbonyl}amino)-beta-D-glucopyranose

Source
  • trypanosoma cruzi (strain cl brener) (eukaryote)
KeywordsTransferase/Transferase Inhibitor / Transferase / Hexose Kinase / Transferase-Transferase Inhibitor complex

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