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Structure paper

TitleSAR Based Optimization of a 4-Quinoline Carboxylic Acid Analog with Potent Anti-Viral Activity.
Journal, issue, pagesACS MED. CHEM. LETT., Vol. 4, Page 517-521, Year 2013
Publish dateDec 17, 2012 (structure data deposition date)
AuthorsDas, P. / Deng, X. / Zhang, L. / Roth, M.G. / Fontoura, B.M. / Phillips, M.A. / De Brabander, J.K.
External linksACS MED. CHEM. LETT. / PubMed:23930152
MethodsX-ray diffraction
Resolution1.3 Å
Structure data

PDB-4igh:
High resolution crystal structure of human dihydroorotate dehydrogenase bound with 4-quinoline carboxylic acid analog
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

Chemicals

ChemComp-FMN:
FLAVIN MONONUCLEOTIDE

ChemComp-ORO:
OROTIC ACID

ChemComp-1EA:
6-fluoro-2-[2-methyl-4-phenoxy-5-(propan-2-yl)phenyl]quinoline-4-carboxylic acid

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

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / anti-viral / quinoline-4-carboxylic acid / redox / dehydrogenase / FMN / membrane / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

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