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TitleStructural basis of antifolate inhibition of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase
Journal, issue, pagesTo be Published
Publish dateAug 13, 2009 (structure data deposition date)
AuthorsChitnumsub, P. / Yuvaniyama, J. / Vilaivan, T. / Vanichtanankul, J. / Kamchonwongpaisan, S. / Yuthavong, Y.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.1 - 2.8 Å
Structure data

PDB-3inv:
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH, dUMP AND C-448 ANTIFOLATE
Method: X-RAY DIFFRACTION / Resolution: 2.37 Å

PDB-3irm:
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH Cycloguanil
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-3irn:
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH AND Cycloguanil
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-3iro:
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase complexed with NADPH and Q-8 antifolate
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-C50:
1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine

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

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

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-1CY:
1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine

ChemComp-PO4:
PHOSPHATE ION

ChemComp-ACT:
ACETATE ION

ChemComp-2CY:
5-[3-(3-fluorophenoxy)propoxy]quinazoline-2,4-diamine

Source
  • trypanosoma cruzi (eukaryote)
KeywordsOXIDOREDUCTASE/TRANSFERASE / DHFR-TS antifolate complex / Methyltransferase / Multifunctional enzyme / NADP / Nucleotide biosynthesis / One-carbon metabolism / Oxidoreductase / Transferase / OXIDOREDUCTASE-TRANSFERASE COMPLEX / Trypanosoma cruzi

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