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TitleIn Vitro Resistance Selections for Plasmodium Falciparum Dihydroorotate Dehydrogenase Inhibitors Give Mutants with Multiple Point Mutations in the Drug-Binding Site and Altered Growth.
Journal, issue, pagesJ. Biol. Chem., Vol. 289, Page 17980-, Year 2014
Publish dateFeb 12, 2014 (structure data deposition date)
AuthorsRoss, L.S. / Javier Gamo, F. / Lafuente-Monasterio, M.J.E. / Singh, O.M.P. / Rowland, P. / Wiegand, R.C. / Wirth, D.F.
External linksJ. Biol. Chem. / PubMed:24782313
MethodsX-ray diffraction
Resolution1.98 - 2.82 Å
Structure data

PDB-4cq8:
Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with Genz-669178
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

PDB-4cq9:
Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with IDI-6253
Method: X-RAY DIFFRACTION / Resolution: 2.72 Å

PDB-4cqa:
Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with IDI-6273
Method: X-RAY DIFFRACTION / Resolution: 2.82 Å

Chemicals

ChemComp-FMN:
FLAVIN MONONUCLEOTIDE

ChemComp-ORO:
OROTIC ACID

ChemComp-JBW:
5-(4-cyano-2-methyl-1H-benzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide

ChemComp-HOH:
WATER

ChemComp-XBL:
6-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine

ChemComp-ID6:
2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one

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

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