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Structure paper

TitleInhibition of O-Glcnacase by a Gluco-Configured Nagstatin and a Pugnac-Imidazole Hybrid Inhibitor
Journal, issue, pagesChem. Commun., Vol. 42, Page 4372-, Year 2006
Publish dateAug 25, 2006 (structure data deposition date)
AuthorsShanmugasundaram, B. / Debowski, A.W. / Dennis, R.J. / Davies, G.J. / Vocadlo, D.J. / Vasella, A.
External linksChem. Commun. / PubMed:17057847
MethodsX-ray diffraction
Resolution1.98 Å
Structure data

PDB-2j47:
Bacteroides thetaiotaomicron GH84 O-GlcNAcase in complex with a imidazole-pugnac hybrid inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

Chemicals

ChemComp-GDV:
(5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-2-CARBOXAMIDE

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • bacteroides thetaiotaomicron (bacteria)
KeywordsINHIBITOR / O-GLCNACASE / IMIDAZOLE / GH84 / PUGNAC / ENZYME / INHIBITION

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