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TitleTrypanosomal dihydrofolate reductase reveals natural antifolate resistance
Journal, issue, pagesAcs Chem. Biol., Vol. 6, Page 905-911, Year 2011
Publish dateJan 24, 2011 (structure data deposition date)
AuthorsVanichtanankul, J. / Taweechai, S. / Yuvaniyama, J. / Vilaivan, T. / Chitnumsub, P. / Kamchonwongpaisan, S. / Yuthavong, Y.
External linksAcs Chem. Biol. / PubMed:21650210
MethodsX-ray diffraction
Resolution2 - 2.3 Å
Structure data

PDB-3qfx:
Trypanosoma brucei dihydrofolate reductase pyrimethamine complex
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-3qg2:
Plasmodium falciparum DHFR-TS qradruple mutant (N51I+C59R+S108N+I164L, V1/S) pyrimethamine complex
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-3qgt:
Crystal structure of Wild-type PfDHFR-TS COMPLEXED WITH NADPH, dUMP AND PYRIMETHAMINE
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-3rg9:
Trypanosoma brucei dihydrofolate reductase (TbDHFR) in complex with WR99210
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

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

ChemComp-CP6:
5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE / medication, antiparasitic*YM

ChemComp-HOH:
WATER

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

ChemComp-WRA:
6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE

Source
  • trypanosoma brucei rhodesiense (eukaryote)
  • plasmodium falciparum (malaria parasite P. falciparum)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / pyrimethamine / antifolate resistance / Trypanosome / dihydrofolate reductase / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex / OXIDOREDUCTASE / TRANSFERASE/INHIBITOR / Plasmodium falciparum / TRANSFERASE / TRANSFERASE-INHIBITOR complex / malarial DHFR-TS antifolate complex / rossmann fold / reductase / Dihydrofolate binding / dUMP binding / NADPH binding / Trypanosoma brucei / WR99210

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