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TitleAnalysis of Pugnac and Nag-Thiazoline as Transition State Analogues for Human O-Glcnacase: Mechanistic and Structural Insights Into Inhibitor Selectivity and Transition State Poise.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 129, Page 635-, Year 2007
Publish dateAug 31, 2006 (structure data deposition date)
AuthorsWhitworth, G.E. / Macauley, M.S. / Stubbs, K.A. / Dennis, R.J. / Taylor, E.J. / Davies, G.J. / Greig, I.R. / Vocadlo, D.J.
External linksJ. Am. Chem. Soc. / PubMed:17227027
MethodsX-ray diffraction
Resolution2.25 Å
Structure data

PDB-2j4g:
Bacteroides thetaiotaomicron GH84 O-GlcNAcase in complex with n-butyl- thiazoline inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

Chemicals

ChemComp-NB1:
(3AR,5R,6S,7R,7AR)-5-(HYDROXYMETHYL)-2-PROPYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL

ChemComp-ACT:
ACETATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

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

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