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TitleDiscovery of Potent and Selective Leads against Toxoplasma gondii Dihydrofolate Reductase via Structure-Based Design.
Journal, issue, pagesACS Med Chem Lett, Vol. 7, Page 1124-1129, Year 2016
Publish dateAug 16, 2016 (structure data deposition date)
AuthorsWelsch, M.E. / Zhou, J. / Gao, Y. / Yan, Y. / Porter, G. / Agnihotri, G. / Li, Y. / Lu, H. / Chen, Z. / Thomas, S.B.
External linksACS Med Chem Lett / PubMed:27994750
MethodsX-ray diffraction
Resolution3.13 Å
Structure data

PDB-5t0l:
Crystal structure of Toxoplasma gondii TS-DHFR complexed with NADPH, dUMP, PDDF and 5-(4-(3,4-dichlorophenyl)piperazin-1-yl)pyrimidine-2,4-diamine (TRC-15)
Method: X-RAY DIFFRACTION / Resolution: 3.13 Å

Chemicals

ChemComp-UMP:
2'-DEOXYURIDINE 5'-MONOPHOSPHATE

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

ChemComp-CB3:
10-PROPARGYL-5,8-DIDEAZAFOLIC ACID

ChemComp-73X:
5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine

Source
  • toxoplasma gondii (eukaryote)
KeywordsOxidoreductase/Oxidoreductase inhibitor / Toxoplasma gondii / DHFR / inhibitor / Oxidoreductase-Oxidoreductase inhibitor complex

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