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Structure paper

TitleX-ray structure of the ternary MTX.NADPH complex of the anthrax dihydrofolate reductase: a pharmacophore for dual-site inhibitor design.
Journal, issue, pagesJ. Struct. Biol., Vol. 166, Page 162-171, Year 2009
Publish dateMay 30, 2008 (structure data deposition date)
AuthorsBennett, B.C. / Wan, Q. / Ahmad, M.F. / Langan, P. / Dealwis, C.G.
External linksPubMed:19374017
MethodsX-ray diffraction
Resolution1.5 - 2.3 Å
Structure data

PDB-3dat:
Crystal structure of the ternary MTX NADPH complex of Bacillus anthracis dihydrofolate reductase
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-3dau:
Crystal structure of the ternary MTX NADPH complex of Escherichia coli dihydrofolate reductase
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-MTX:
METHOTREXATE / chemotherapy*YM

ChemComp-NDP:
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-HOH:
WATER

Source
  • bacillus anthracis str. (bacteria)
  • escherichia coli (E. coli)
KeywordsOXIDOREDUCTASE / dual-site inhibition / pseudo-Rossmann fold / adenine nucleotide binding domain / Antibiotic resistance / Methotrexate resistance / NADP / One-carbon metabolism / Trimethoprim resistance

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