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TitleAntivirulence Isoquinolone Mannosides: Optimization of the Biaryl Aglycone for FimH Lectin Binding Affinity and Efficacy in the Treatment of Chronic UTI.
Journal, issue, pagesChemmedchem, Vol. 11, Page 367-373, Year 2016
Publish dateDec 1, 2015 (structure data deposition date)
AuthorsJarvis, C. / Han, Z. / Kalas, V. / Klein, R. / Pinkner, J.S. / Ford, B. / Binkley, J. / Cusumano, C.K. / Cusumano, Z. / Mydock-McGrane, L. ...Jarvis, C. / Han, Z. / Kalas, V. / Klein, R. / Pinkner, J.S. / Ford, B. / Binkley, J. / Cusumano, C.K. / Cusumano, Z. / Mydock-McGrane, L. / Hultgren, S.J. / Janetka, J.W.
External linksChemmedchem / PubMed:26812660
MethodsX-ray diffraction
Resolution1.665 Å
Structure data

PDB-5f2f:
Crystal structure of para-biphenyl-2-methyl-3', 5' di-methyl amide mannoside bound to FimH lectin domain
Method: X-RAY DIFFRACTION / Resolution: 1.665 Å

Chemicals

ChemComp-5U7:
5-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{N}1,~{N}3-dimethyl-benzene-1,3-dicarboxamide

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • escherichia coli j96 (bacteria)
KeywordsSUGAR BINDING PROTEIN / lectin / mannoside / immunoglobulin fold / carbohydrate binding protein

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