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Structure paper

TitleDiscovery of potent and selective covalent inhibitors of JNK.
Journal, issue, pagesChem. Biol., Vol. 19, Page 140-154, Year 2012
Publish dateDec 20, 2011 (structure data deposition date)
AuthorsZhang, T. / Inesta-Vaquera, F. / Niepel, M. / Zhang, J. / Ficarro, S.B. / Machleidt, T. / Xie, T. / Marto, J.A. / Kim, N. / Sim, T. ...Zhang, T. / Inesta-Vaquera, F. / Niepel, M. / Zhang, J. / Ficarro, S.B. / Machleidt, T. / Xie, T. / Marto, J.A. / Kim, N. / Sim, T. / Laughlin, J.D. / Park, H. / LoGrasso, P.V. / Patricelli, M. / Nomanbhoy, T.K. / Sorger, P.K. / Alessi, D.R. / Gray, N.S.
External linksChem. Biol. / PubMed:22284361
MethodsX-ray diffraction
Resolution2.6 - 2.97 Å
Structure data

PDB-3v6r:
Discovery of potent and selective covalent inhibitors of JNK
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-3v6s:
Discovery of potent and selective covalent inhibitors of JNK
Method: X-RAY DIFFRACTION / Resolution: 2.97 Å

Chemicals

ChemComp-CQQ:
4-{[4-(dimethylamino)butanoyl]amino}-N-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide

ChemComp-HOH:
WATER

ChemComp-0F0:
3-{[4-(dimethylamino)butanoyl]amino}-N-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / KINASE FOLD / APOPTOSIS / MAP KINASE / CYS modification / Phosphorylation / JNK / TRANSFERASE-TRANSFERASE INHIBITOR complex

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