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TitleDiscovery of small molecule isozyme non-specific inhibitors of mammalian acetyl-CoA carboxylase 1 and 2.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 20, Page 2383-2388, Year 2010
Publish dateApr 9, 2009 (structure data deposition date)
AuthorsCorbett, J.W. / Freeman-Cook, K.D. / Elliott, R. / Vajdos, F. / Rajamohan, F. / Kohls, D. / Marr, E. / Zhang, H. / Tong, L. / Tu, M. ...Corbett, J.W. / Freeman-Cook, K.D. / Elliott, R. / Vajdos, F. / Rajamohan, F. / Kohls, D. / Marr, E. / Zhang, H. / Tong, L. / Tu, M. / Murdande, S. / Doran, S.D. / Houser, J.A. / Song, W. / Jones, C.J. / Coffey, S.B. / Buzon, L. / Minich, M.L. / Dirico, K.J. / Tapley, S. / McPherson, R.K. / Sugarman, E. / Harwood, H.J. / Esler, W.
External linksBioorg. Med. Chem. Lett. / PubMed:20219367
MethodsX-ray diffraction
Resolution2.43 - 2.8 Å
Structure data

PDB-3h0j:
Crystal structure of the carboxyltransferase domain of acetyl-coenzyme A carboxylase in complex with compound 2
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-3h0q:
Crystal structure of the carboxyltransferase domain of acetyl-coenzyme A carboxylase in complex with compound 3
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-3h0s:
Crystal structure of the carboxyltransferase domain of acetyl-coenzyme A carboxylase in complex with compound 7
Method: X-RAY DIFFRACTION / Resolution: 2.43 Å

Chemicals

ChemComp-B36:
6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline

ChemComp-B37:
4-({4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl}carbonyl)-2-phenylquinoline

ChemComp-HOH:
WATER

ChemComp-SO4:
SULFATE ION

ChemComp-B38:
1'-(1H-indazol-7-ylcarbonyl)-6-methylspiro[chromene-2,4'-piperidin]-4(3H)-one

Source
  • saccharomyces cerevisiae (brewer's yeast)
KeywordsTRANSFERASE / ACETYL-COA CARBOXYLASE / CARBOXYLTRANSFERASE / INHIBITOR / ACC / CT / ATP-binding / Biotin / Cytoplasm / Fatty acid biosynthesis / Ligase / Lipid synthesis / Metal-binding / Multifunctional enzyme / Nucleotide-binding

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