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Structure paper

TitleDesign, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase.
Journal, issue, pagesJ. Med. Chem., Vol. 61, Page 5162-5186, Year 2018
Publish dateFeb 26, 2018 (structure data deposition date)
AuthorsMadak, J.T. / Cuthbertson, C.R. / Miyata, Y. / Tamura, S. / Petrunak, E.M. / Stuckey, J.A. / Han, Y. / He, M. / Sun, D. / Showalter, H.D. / Neamati, N.
External linksJ. Med. Chem. / PubMed:29727569
MethodsX-ray diffraction
Resolution1.63 - 2.851 Å
Structure data

PDB-6cjf:
Human dihydroorotate dehydrogenase bound to 4-quinoline carboxylic acid inhibitor 43
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

PDB-6cjg:
Human dihydroorotate dehydrogenase bound to napthyridine inhibitor 46
Method: X-RAY DIFFRACTION / Resolution: 2.851 Å

Chemicals

ChemComp-FMN:
FLAVIN MONONUCLEOTIDE

ChemComp-ORO:
OROTIC ACID

ChemComp-F54:
2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid

ChemComp-ZWI:
3-[decyl(dimethyl)ammonio]propane-1-sulfonate

ChemComp-HOH:
WATER

ChemComp-F51:
2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / Oxidoreductase / oxidoreductase inhibitor / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

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