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Structure paper

TitleTargeting a critical step in fungal hexosamine biosynthesis.
Journal, issue, pagesJ. Biol. Chem., Vol. 295, Page 8678-8691, Year 2020
Publish dateNov 8, 2019 (structure data deposition date)
AuthorsLockhart, D.E.A. / Stanley, M. / Raimi, O.G. / Robinson, D.A. / Boldovjakova, D. / Squair, D.R. / Ferenbach, A.T. / Fang, W. / van Aalten, D.M.F.
External linksJ. Biol. Chem. / PubMed:32341126
MethodsX-ray diffraction
Resolution1.58 - 2.01 Å
Structure data

PDB-6tdf:
Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 3
Method: X-RAY DIFFRACTION / Resolution: 2.01 Å

PDB-6tdg:
Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 2
Method: X-RAY DIFFRACTION / Resolution: 1.74 Å

PDB-6tdh:
Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 1
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

Chemicals

ChemComp-ACO:
ACETYL COENZYME *A

ChemComp-N3Q:
2-[[3,5-bis(chloranyl)-4-(4~{H}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol

ChemComp-G6P:
6-O-phosphono-alpha-D-glucopyranose

ChemComp-HOH:
WATER

ChemComp-N3W:
2-chloranyl-3-(4~{H}-1,2,4-triazol-3-yl)aniline

ChemComp-N2Z:
3-(2-chlorophenyl)-4~{H}-1,2,4-triazole

Source
  • aspergillus fumigatus af293 (mold)
KeywordsTRANSFERASE / fragment screening / anti fungal / Aspergillus fumigatus / inhibitor

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