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Structure paper

TitleSyntheses, structures and antibiotic activities of LpxC inhibitors based on the diacetylene scaffold.
Journal, issue, pagesBioorg. Med. Chem., Vol. 19, Page 852-860, Year 2011
Publish dateNov 30, 2010 (structure data deposition date)
AuthorsLiang, X. / Lee, C.J. / Chen, X. / Chung, H.S. / Zeng, D. / Raetz, C.R. / Li, Y. / Zhou, P. / Toone, E.J.
External linksBioorg. Med. Chem. / PubMed:21194954
MethodsX-ray diffraction
Resolution1.85 - 2.3 Å
Structure data

PDB-3ps1:
Crystal structure of the Escherichia Coli LPXC/LPC-011 complex
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-3ps2:
Crystal structure of the Escherichia Coli LPXC/LPC-012 complex
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-3ps3:
Crystal structure of the Escherichia Coli LPXC/LPC-053 complex
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-ZH2:
4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide

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

ChemComp-SO4:
SULFATE ION

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

ChemComp-HOH:
WATER

ChemComp-ZH4:
4-[4-(3-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide

ChemComp-L53:
4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide

Source
  • escherichia coli ihe3034 (bacteria)
KeywordsHYDROLASE/ANTIBIOTIC / HYDROLASE / DEACETYLATION / ANTIBIOTIC / ACYL UDP-GLCNAC / HYDROXAMATE / LPC-011 / BAAB SANDWICH / LIPID A BIOSYNTHESIS / LIPID A SYNTHESIS / HYDROLASE-ANTIBIOTIC complex / LPXC / LPC-012 / LPC-053

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