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Structure paper

TitleCrystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase.
Journal, issue, pagesACS Med Chem Lett, Vol. 4, Page 542-546, Year 2013
Publish dateNov 26, 2012 (structure data deposition date)
AuthorsZheng, B. / Yao, Y. / Liu, Z. / Deng, L. / Anglin, J.L. / Jiang, H. / Prasad, B.V. / Song, Y.
External linksACS Med Chem Lett / PubMed:23795241
MethodsX-ray diffraction
Resolution3.292 - 3.3056 Å
Structure data

PDB-4i3k:
Crystal structure of a metabolic reductase with 1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1H)-one
Method: X-RAY DIFFRACTION / Resolution: 3.3056 Å

PDB-4i3l:
Crystal structure of a metabolic reductase with 6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one
Method: X-RAY DIFFRACTION / Resolution: 3.292 Å

Chemicals

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

ChemComp-SO4:
SULFATE ION

ChemComp-1BX:
1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1H)-one

ChemComp-1BZ:
6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one

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

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