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TitleSmall molecule inhibitors and CRISPR/Cas9 mutagenesis demonstrate that SMYD2 and SMYD3 activity are dispensable for autonomous cancer cell proliferation.
Journal, issue, pagesPlos One, Vol. 13, Page e0197372-e0197372, Year 2018
Publish dateMar 6, 2017 (structure data deposition date)
AuthorsThomenius, M.J. / Totman, J. / Harvey, D. / Mitchell, L.H. / Riera, T.V. / Cosmopoulos, K. / Grassian, A.R. / Klaus, C. / Foley, M. / Admirand, E.A. ...Thomenius, M.J. / Totman, J. / Harvey, D. / Mitchell, L.H. / Riera, T.V. / Cosmopoulos, K. / Grassian, A.R. / Klaus, C. / Foley, M. / Admirand, E.A. / Jahic, H. / Majer, C. / Wigle, T. / Jacques, S.L. / Gureasko, J. / Brach, D. / Lingaraj, T. / West, K. / Smith, S. / Rioux, N. / Waters, N.J. / Tang, C. / Raimondi, A. / Munchhof, M. / Mills, J.E. / Ribich, S. / Porter Scott, M. / Kuntz, K.W. / Janzen, W.P. / Moyer, M. / Smith, J.J. / Chesworth, R. / Copeland, R.A. / Boriack-Sjodin, P.A.
External linksPlos One / PubMed:29856759
MethodsX-ray diffraction
Resolution1.42 - 2.69 Å
Structure data

PDB-5v37:
Crystal structure of SMYD3 with SAM and EPZ028862
Method: X-RAY DIFFRACTION / Resolution: 1.42 Å

PDB-5v3h:
Crystal structure of SMYD2 with SAM and EPZ033294
Method: X-RAY DIFFRACTION / Resolution: 2.69 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-SAM:
S-ADENOSYLMETHIONINE

ChemComp-8WD:
N-{(3-endo)-8-[(trans-4-aminocyclohexyl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-8WG:
N-[1-({1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}methyl)azetidin-3-yl]-1-cyclopropyl-1H-1,2,3-triazole-4-carboxamide

ChemComp-GOL:
GLYCEROL

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE inhibitor / protein-inhibitor complex / protein lysine methyltransferase / TRANSFERASE-TRANSFERASE inhibitor complex

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