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Structure paper

TitleNon-nucleoside inhibitors of BasE, an adenylating enzyme in the siderophore biosynthetic pathway of the opportunistic pathogen Acinetobacter baumannii.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 2385-2405, Year 2013
Publish dateSep 29, 2011 (structure data deposition date)
AuthorsNeres, J. / Engelhart, C.A. / Drake, E.J. / Wilson, D.J. / Fu, P. / Boshoff, H.I. / Barry 3rd, C.E. / Gulick, A.M. / Aldrich, C.C.
External linksJ. Med. Chem. / PubMed:23437866
MethodsX-ray diffraction
Resolution2.1 Å
Structure data

PDB-3u16:
Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-(p-benzyloxy)phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-3u17:
Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-(p-benzoyl)phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-H89:
6-[4-(benzyloxy)phenyl]-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

ChemComp-CA:
Unknown entry

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

ChemComp-MRD:
(4R)-2-METHYLPENTANE-2,4-DIOL / precipitant*YM

ChemComp-HOH:
WATER

ChemComp-H90:
6-(4-benzoylphenyl)-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Source
  • acinetobacter baumannii (bacteria)
KeywordsLIGASE / ANL Superfamily / adenylating enzyme / 2 / 3-dihydroxybenzoate:Aryl Carrier protein ligase / BasF

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