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TitleVER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells.
Journal, issue, pagesOncotarget, Vol. 5, Page 12862-12876, Year 2014
Publish dateOct 6, 2014 (structure data deposition date)
AuthorsMoore, J.D. / Staniszewska, A. / Shaw, T. / D'Alessandro, J. / Davis, B. / Surgenor, A. / Baker, L. / Matassova, N. / Murray, J. / Macias, A. ...Moore, J.D. / Staniszewska, A. / Shaw, T. / D'Alessandro, J. / Davis, B. / Surgenor, A. / Baker, L. / Matassova, N. / Murray, J. / Macias, A. / Brough, P. / Wood, M. / Mahon, P.C.
External linksOncotarget / PubMed:25404640
MethodsX-ray diffraction
Resolution2.49 - 2.6 Å
Structure data

PDB-4v25:
VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-4v26:
VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells
Method: X-RAY DIFFRACTION / Resolution: 2.49 Å

Chemicals

ChemComp-TF3:
N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE

ChemComp-MG:
Unknown entry

ChemComp-SZ6:
N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide

ChemComp-HOH:
WATER

ChemComp-7TJ:
N-[4-(2-CHLORO-5-METHYLPYRIMIDIN-4-YL)PHENYL]-2,4-DIHYDROXY-N-(4-{[(TRIFLUOROACETYL)AMINO]METHYL}BENZYL)BENZAMIDE

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / GLYCOLYSIS / WARBURG METABOLISM / NOV3R

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