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TitlePreclinical evaluation of the antifolate QN254, 5-chloro- N'6'-(2,5-dimethoxy-benzyl)-quinazoline-2,4,6-triamine, as an antimalarial drug candidate
Journal, issue, pagesAntimicrob. Agents Chemother., Vol. 54, Page 2603-2610, Year 2010
Publish dateSep 11, 2009 (structure data deposition date)
AuthorsNzila, A. / Rottmann, M. / Chitnumsub, P. / Kiara, S.M. / Kamchonwongpaisan, S. / Maneeruttanarungroj, C. / Taweechai, S. / Yeung, B.K. / Goh, A. / Lakshminarayana, S.B. ...Nzila, A. / Rottmann, M. / Chitnumsub, P. / Kiara, S.M. / Kamchonwongpaisan, S. / Maneeruttanarungroj, C. / Taweechai, S. / Yeung, B.K. / Goh, A. / Lakshminarayana, S.B. / Zou, B. / Wong, J. / Ma, N.L. / Weaver, M. / Keller, T.H. / Dartois, V. / Wittlin, S. / Brun, R. / Yuthavong, Y. / Diagana, T.T.
External linksAntimicrob. Agents Chemother. / PubMed:20350951
MethodsX-ray diffraction
Resolution2.7 Å
Structure data

PDB-3jsu:
Quadruple mutant(N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase(PFDHFR-TS) complexed with QN254, NADPH, and dUMP
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-KA5:
5-chloro-N~6~-(2,5-dimethoxybenzyl)quinazoline-2,4,6-triamine

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

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

ChemComp-HOH:
WATER

Source
  • plasmodium falciparum (malaria parasite P. falciparum)
KeywordsOXIDOREDUCTASE / TRANSFERASE / Rossmann fold

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