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Structure paper

TitleDiscovery of Selective Toxoplasma gondii Dihydrofolate Reductase Inhibitors for the Treatment of Toxoplasmosis.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 1562-1576, Year 2019
Publish dateNov 11, 2018 (structure data deposition date)
AuthorsHopper, A.T. / Brockman, A. / Wise, A. / Gould, J. / Barks, J. / Radke, J.B. / Sibley, L.D. / Zou, Y. / Thomas, S.
External linksJ. Med. Chem. / PubMed:30624926
MethodsX-ray diffraction
Resolution3 - 3.5 Å
Structure data

PDB-6n1s:
Toxoplasma gondii TS-DHFR in complex with selective inhibitor 29
Method: X-RAY DIFFRACTION / Resolution: 3 Å

PDB-6n1t:
Toxoplasma gondii TS-DHFR in complex with selective inhibitor 3
Method: X-RAY DIFFRACTION / Resolution: 3.5 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-K9A:
5-{4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-BOD:
5-{4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine

Source
  • toxoplasma gondii (eukaryote)
Keywordsoxidoreductase/oxidoreductase inhibitor / TOXOPLASMA GONDII / DHFR / OXIDOREDUCTASE / oxidoreductase-oxidoreductase inhibitor complex

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