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Structure paper

TitleStructural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC.
Journal, issue, pagesAcs Chem. Biol., Vol. 9, Page 237-246, Year 2014
Publish dateJan 16, 2013 (structure data deposition date)
AuthorsLee, C.J. / Liang, X. / Gopalaswamy, R. / Najeeb, J. / Ark, E.D. / Toone, E.J. / Zhou, P.
External linksAcs Chem. Biol. / PubMed:24117400
MethodsX-ray diffraction
Resolution1.8 - 2.13 Å
Structure data

PDB-4is9:
Crystal Structure of the Escherichia coli LpxC/L-161,240 complex
Method: X-RAY DIFFRACTION / Resolution: 2.13 Å

PDB-4isa:
Crystal Structure of the Escherichia coli LpxC/BB-78485 complex
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-4mqy:
Crystal Structure of the Escherichia coli LpxC/LPC-138 complex
Method: X-RAY DIFFRACTION / Resolution: 2.005 Å

Chemicals

ChemComp-IPA:
ISOPROPYL ALCOHOL

ChemComp-ZN:
Unknown entry

ChemComp-LTF:
(4R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-GVR:
(2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide

ChemComp-FMT:
FORMIC ACID

ChemComp-D1D:
(4S,5S)-1,2-DITHIANE-4,5-DIOL

ChemComp-2CW:
4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-2-methyl-1-nitroso-1-oxobutan-2-yl]benzamide

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-SO4:
SULFATE ION

ChemComp-UKW:
4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide

Source
  • escherichia coli (E. coli)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / LPXC / DEACETYLATION / ANTIBIOTIC / ACYL UDP-GLCNAC / HYDROXAMATE / L-161 / 240 / BAAB SANDWICH / LIPID A BIOSYNTHESIS / HYDROLASE-HYDROLASE INHIBITOR complex / LIPID A SYNTHESIS / BB-78485 / LPC-138

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