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TitleCharacterization of 2,4-Diamino-6-Oxo-1,6-Dihydropyrimidin-5-Yl Ureido Based Inhibitors of Trypanosoma Brucei Fold and Testing for Antiparasitic Activity.
Journal, issue, pagesJ. Med. Chem., Vol. 58, Page 7938-, Year 2015
Publish dateDec 23, 2013 (structure data deposition date)
AuthorsEadsforth, T.C. / Pinto, A. / Luciani, R. / Tamborini, L. / Cullia, G. / De Micheli, C. / Marinelli, L. / Cosconati, S. / Novellino, E. / Lo Presti, L. ...Eadsforth, T.C. / Pinto, A. / Luciani, R. / Tamborini, L. / Cullia, G. / De Micheli, C. / Marinelli, L. / Cosconati, S. / Novellino, E. / Lo Presti, L. / Cordeiro Da Silva, A. / Conti, P. / Hunter, W.N. / Costi, M.P.
External linksJ. Med. Chem. / PubMed:26322631
MethodsX-ray diffraction
Resolution2.05 Å
Structure data

PDB-4cjx:
The crystal structure of Trypanosoma brucei N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) complexed with NADP cofactor and inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-9L9:
(2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-HOH:
WATER

Source
  • trypanosoma brucei brucei strain 927/4 gutat10.1 (eukaryote)
KeywordsOXIDOREDUCTASE

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