3NPC

Crystal structure of JNK2 complexed with BIRB796

Summary for 3NPC

• Entry DOI: 10.2210/pdb3npc/pdb
• Descriptor: Mitogen-activated protein kinase 9, 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA (3 entities in total)
• Functional Keywords: dfg-out, protein kinase, transferase, atp binding, type ii kinase inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 84847.97

Authors

Kuglstatter, A.,Ghate, M. (deposition date: 2010-06-28, release date: 2010-08-11, Last modification date: 2023-09-06)

• Primary citation: Kuglstatter, A.,Ghate, M.,Tsing, S.,Villasenor, A.G.,Shaw, D.,Barnett, J.W.,Browner, M.F.; X-ray crystal structure of JNK2 complexed with the p38alpha inhibitor BIRB796: Insights into the rational design of DFG-out binding MAP kinase inhibitors.; Bioorg.Med.Chem.Lett., 20:5217-5220, 2010; PubMed: 20655210; DOI: 10.1016/j.bmcl.2010.06.157

Experimental method

X-RAY DIFFRACTION (2.35 Å)