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Structure paper

TitleX-ray crystal structure of JNK2 complexed with the p38alpha inhibitor BIRB796: Insights into the rational design of DFG-out binding MAP kinase inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 20, Page 5217-5220, Year 2010
Publish dateJun 28, 2010 (structure data deposition date)
AuthorsKuglstatter, A. / Ghate, M. / Tsing, S. / Villasenor, A.G. / Shaw, D. / Barnett, J.W. / Browner, M.F.
External linksBioorg. Med. Chem. Lett. / PubMed:20655210
MethodsX-ray diffraction
Resolution2.35 Å
Structure data

PDB-3npc:
Crystal structure of JNK2 complexed with BIRB796
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

Chemicals

ChemComp-B96:
1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / DFG-out / Protein kinase / Transferase / ATP Binding / type II kinase inhibitor / TRANSFERASE-TRANSFERASE INHIBITOR complex

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