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Structure paper

TitleInhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds.
Journal, issue, pagesJ. Med. Chem., Vol. 58, Page 6899-6908, Year 2015
Publish dateJan 21, 2015 (structure data deposition date)
AuthorsWu, F. / Jiang, H. / Zheng, B. / Kogiso, M. / Yao, Y. / Zhou, C. / Li, X.N. / Song, Y.
External linksJ. Med. Chem. / PubMed:26280302
MethodsX-ray diffraction
Resolution3.2 - 3.291 Å
Structure data

PDB-4xrx:
Crystal structure of a metabolic reductase with (E)-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one
Method: X-RAY DIFFRACTION / Resolution: 3.2 Å

PDB-4xs3:
Crystal structure of a metabolic reductase with (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one
Method: X-RAY DIFFRACTION / Resolution: 3.291 Å

Chemicals

ChemComp-NDP:
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-42V:
5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one

ChemComp-42W:
(E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

Source
  • homo sapiens (human)
Keywordsoxidoreductase/oxidoreductase inhibitor / oxidoreductase-oxidoreductase inhibitor complex

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