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Structure paper

TitleStructure-based optimization of a non-beta-lactam lead results in inhibitors that do not up-regulate beta-lactamase expression in cell culture.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 127, Page 4632-4639, Year 2005
Publish dateSep 17, 2004 (structure data deposition date)
AuthorsTondi, D. / Morandi, F. / Bonnet, R. / Costi, M.P. / Shoichet, B.K.
External linksJ. Am. Chem. Soc. / PubMed:15796528
MethodsX-ray diffraction
Resolution1.96 - 1.97 Å
Structure data

PDB-1xgi:
AmpC beta-lactamase in complex with 3-(3-nitro-phenylsulfamoyl)-thiophene-2-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.96 Å

PDB-1xgj:
AmpC beta-lactamase in complex with 3-(4-carboxy-2-hydroxy-phenylsulfamoyl)-thiophene-2-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

Chemicals

ChemComp-NST:
3-{[(3-NITROANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID

ChemComp-HOH:
WATER

ChemComp-HTC:
3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID

Source
  • escherichia coli (E. coli)
KeywordsHYDROLASE / AmpC / beta-lactamase / cephalosporinase / serine hydrolase

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