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Structure paper

TitleA mechanism-inspired UDP-N-acetylglucosamine pyrophosphorylase inhibitor
Journal, issue, pagesRSC Chem. Biol., Year 2020
Publish dateApr 11, 2018 (structure data deposition date)
AuthorsRaimi, O.G. / Hurtado-Guerrero, R. / Borodkin, V. / Ferenbach, A. / Urbaniak, M.D. / Ferguson, M.A.J. / van Aalten, D.M.F.
External linksRSC Chem. Biol. / Search PubMed
MethodsX-ray diffraction
Resolution1.75 - 2.4 Å
Structure data

PDB-6g9v:
Crystal structure of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase(AfUAP1) in complex with UDPGlcNAc, pyrophosphate and Mg2+
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-6g9w:
Crystal Structure of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase in complex with UTP
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-UD1:
URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE

ChemComp-PPV:
PYROPHOSPHATE

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-UTP:
URIDINE 5'-TRIPHOSPHATE / UTP*YM

Source
  • aspergillus fumigatus af293 (mold)
  • neosartorya fumigata (strain atcc mya-4609 / af293 / cbs 101355 / fgsc a1100) (mold)
KeywordsTRANSFERASE / cell wall / anti fungal / pyrophosphorylase / Aspergillus fumigatus / catalysis

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