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Structure paper

TitleProspecting for broad-spectrum inhibitors of fungal dihydrofolate reductase using a structure guided approach.
Journal, issue, pagesTo Be Published
Publish dateJun 12, 2018 (structure data deposition date)
AuthorsBensen, D.C. / Fortier, J.M. / Akers-Rodriguez, S. / Tari, L.W.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.997 - 2 Å
Structure data

PDB-6drs:
Dihydrofolate Reductase (DHFR) of Aspergillus flavus in complex with a small molecule inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.997 Å

PDB-6dtc:
Dihydrofolate Reductase (DHFR) of Aspergillus flavus in complex with a small molecule inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-H8A:
3-{[(3R)-7,9-diamino-3-methyl-2,3-dihydrofuro[2,3-f]quinazolin-4-yl]oxy}benzonitrile

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-HOH:
WATER

ChemComp-H9G:
(3R)-3-methyl-4-[3-(1H-tetrazol-5-yl)phenoxy]-2,3-dihydrofuro[2,3-f]quinazoline-7,9-diamine

Source
  • aspergillus flavus (mold)
KeywordsANTIFUNGAL PROTEIN/Inhibitor / Antifolate / DHFR / ANTIFUNGAL PROTEIN / ANTIFUNGAL PROTEIN-Inhibitor complex

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