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TitleDiscovery and Characterization of Non-ATP Site Inhibitors of the Mitogen Activated Protein (MAP) Kinases.
Journal, issue, pagesAcs Chem. Biol., Vol. 6, Page 234-244, Year 2011
Publish dateJun 9, 2010 (structure data deposition date)
AuthorsComess, K.M. / Sun, C. / Abad-Zapatero, C. / Goedken, E.R. / Gum, R.J. / Borhani, D.W. / Argiriadi, M. / Groebe, D.R. / Jia, Y. / Clampit, J.E. ...Comess, K.M. / Sun, C. / Abad-Zapatero, C. / Goedken, E.R. / Gum, R.J. / Borhani, D.W. / Argiriadi, M. / Groebe, D.R. / Jia, Y. / Clampit, J.E. / Haasch, D.L. / Smith, H.T. / Wang, S. / Song, D. / Coen, M.L. / Cloutier, T.E. / Tang, H. / Cheng, X. / Quinn, C. / Liu, B. / Xin, Z. / Liu, G. / Fry, E.H. / Stoll, V. / Ng, T.I. / Banach, D. / Marcotte, D. / Burns, D.J. / Calderwood, D.J. / Hajduk, P.J.
External linksAcs Chem. Biol. / PubMed:21090814
MethodsX-ray diffraction
Resolution2.51 - 2.7 Å
Structure data

PDB-3new:
p38-alpha complexed with Compound 10
Method: X-RAY DIFFRACTION / Resolution: 2.51 Å

PDB-3o2m:
Crystal Structure of JNK1-alpha1 isoform complex with a biaryl tetrazol (A-82118)
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-3NE:
4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one

ChemComp-46A:
N-butyl-4,6-dimethyl-N-{[2'-(2H-tetrazol-5-yl)biphenyl-4-yl]methyl}pyrimidin-2-amine

ChemComp-SO4:
SULFATE ION

Source
  • homo sapiens (human)
  • mus musculus (house mouse)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Kinase / Ser/Thr kinase / Intracellular / TRANSFERASE-TRANSFERASE INHIBITOR complex / TRANSFERASE/INHIBITOR / Serine Threonine Protein Kinase / ATP binding / Phosphorylation / Kinase-Inhibitor complex / TRANSFERASE-INHIBITOR complex

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