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Structure paper

TitleDesign and synthesis of potent Gram-negative specific LpxC inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 1155-1161, Year 2011
Publish dateOct 12, 2010 (structure data deposition date)
AuthorsFaruk Mansoor, U. / Vitharana, D. / Reddy, P.A. / Daubaras, D.L. / McNicholas, P. / Orth, P. / Black, T. / Arshad Siddiqui, M.
External linksBioorg. Med. Chem. Lett. / PubMed:21273067
MethodsX-ray diffraction
Resolution1.93 Å
Structure data

PDB-3p76:
X-ray crystal structure of Aquifex aeolicus LpxC complexed SCH1379777
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

Chemicals

ChemComp-IMD:
IMIDAZOLE

ChemComp-P76:
N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-[4-(phenylethynyl)phenyl]piperidine-1-carboxamide

ChemComp-ZN:
Unknown entry

ChemComp-HOH:
WATER

Source
  • aquifex aeolicus (bacteria)
KeywordsHYDROLASE / Amidohydrolases / Amino Acid Motifs / Binding Sites / Drug Design / Enzyme Inhibitors / Escherichia coli Proteins / Hydrophobicity / Lipid A / Protein Conformation / Protein Folding / Recombinant Fusion Proteins / Structure-Activity Relationship

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