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Structure paper

TitleCocktailed fragment screening by X-ray crystallography of the antibacterial target undecaprenyl pyrophosphate synthase from Acinetobacter baumannii.
Journal, issue, pagesActa Crystallogr. ,Sect. F, Vol. 76, Page 40-46, Year 2020
Publish dateOct 2, 2019 (structure data deposition date)
AuthorsThorpe, J.H. / Wall, I.D. / Sinnamon, R.H. / Taylor, A.N. / Stavenger, R.A.
External linksActa Crystallogr. ,Sect. F / PubMed:31929185
MethodsX-ray diffraction
Resolution1.65 - 1.84 Å
Structure data

PDB-6szg:
Acinetobacter baumannii undecaprenyl pyrophosphate synthase (AB-UppS) in complex with GR839 and GSK513
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

PDB-6szh:
Acinetobacter baumannii undecaprenyl pyrophosphate synthase (AB-UppS) in complex with GW197
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

Chemicals

ChemComp-M2K:
4,5,6,7-tetrahydro-2~{H}-indazole-3-carboxylic acid

ChemComp-M2E:
(4-chlorophenyl)-[(3~{S})-3-oxidanylpiperidin-1-yl]methanone

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-M2H:
3,5-dimethyl-1~{H}-pyrrole-2-carbonitrile

Source
  • acinetobacter baumannii (bacteria)
KeywordsTRANSFERASE / Inhibitor complex

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