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TitleIsoxazolopyrimidine-Based Inhibitors ofPlasmodium falciparumDihydroorotate Dehydrogenase with Antimalarial Activity.
Journal, issue, pagesACS Omega, Vol. 3, Page 9227-9240, Year 2018
Publish dateMay 16, 2018 (structure data deposition date)
AuthorsKokkonda, S. / El Mazouni, F. / White, K.L. / White, J. / Shackleford, D.M. / Lafuente-Monasterio, M.J. / Rowland, P. / Manjalanagara, K. / Joseph, J.T. / Garcia-Perez, A. ...Kokkonda, S. / El Mazouni, F. / White, K.L. / White, J. / Shackleford, D.M. / Lafuente-Monasterio, M.J. / Rowland, P. / Manjalanagara, K. / Joseph, J.T. / Garcia-Perez, A. / Fernandez, J. / Gamo, F.J. / Waterson, D. / Burrows, J.N. / Palmer, M.J. / Charman, S.A. / Rathod, P.K. / Phillips, M.A.
External linksACS Omega / PubMed:30197997
MethodsX-ray diffraction
Resolution1.99 Å
Structure data

PDB-6gjg:
Plasmodium falciparum dihydroorotate dehydrogenase DHODH in complex with 3,6-dimethyl-N-(4-(trifluoromethyl)phenyl)-(1,2)oxazolo(5,4-d)pyrimidin-4-amine
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

Chemicals

ChemComp-FMN:
FLAVIN MONONUCLEOTIDE

ChemComp-ORO:
OROTIC ACID

ChemComp-F1T:
3,6-dimethyl-~{N}-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

ChemComp-HOH:
WATER

Source
  • plasmodium falciparum (malaria parasite P. falciparum)
KeywordsFLAVOPROTEIN / Enzyme / DHODH

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