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Structure paper

TitleA human fatty acid synthase inhibitor binds beta-ketoacyl reductase in the keto-substrate site.
Journal, issue, pagesNat. Chem. Biol., Vol. 10, Page 774-779, Year 2014
Publish dateMay 9, 2014 (structure data deposition date)
AuthorsHardwicke, M.A. / Rendina, A.R. / Williams, S.P. / Moore, M.L. / Wang, L. / Krueger, J.A. / Plant, R.N. / Totoritis, R.D. / Zhang, G. / Briand, J. ...Hardwicke, M.A. / Rendina, A.R. / Williams, S.P. / Moore, M.L. / Wang, L. / Krueger, J.A. / Plant, R.N. / Totoritis, R.D. / Zhang, G. / Briand, J. / Burkhart, W.A. / Brown, K.K. / Parrish, C.A.
External linksNat. Chem. Biol. / PubMed:25086508
MethodsX-ray diffraction
Resolution2.299 Å
Structure data

PDB-4piv:
Human Fatty Acid Synthase Psi/KR Tri-Domain with NADPH and GSK2194069
Method: X-RAY DIFFRACTION / Resolution: 2.299 Å

Chemicals

ChemComp-CAC:
CACODYLATE ION

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

ChemComp-SO4:
SULFATE ION

ChemComp-2W4:
4-[4-(1-benzofuran-5-yl)phenyl]-5-{[(3S)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / fatty acid synthase / human FAS / keto-reductase / TRANSFERASE-TRANSFERASE INHIBITOR complex

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