4HYU

Crystal structure of JNK1 in complex with JIP1 peptide and 4-{4-[4-(3-Methanesulfonyl-propoxy)-indazol-1-yl]-pyrimidin-2-ylamino}-cyclohexan

Summary for 4HYU

• Entry DOI: 10.2210/pdb4hyu/pdb
• Related: 4HYS
• Descriptor: Mitogen-activated protein kinase 8, C-Jun-amino-terminal kinase-interacting protein 1, trans-4-[(4-{4-[3-(methylsulfonyl)propoxy]-1H-indazol-1-yl}pyrimidin-2-yl)amino]cyclohexanol, ... (4 entities in total)
• Functional Keywords: kinase inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human); More
• Cellular location: Cytoplasm (By similarity): Q9UQF2
• Total number of polymer chains: 2
• Total formula weight: 44379.34

Authors

Kuglstatter, A.,Ghate, M. (deposition date: 2012-11-14, release date: 2013-10-30, Last modification date: 2023-09-20)

• Primary citation: Palmer, W.S.,Alam, M.,Arzeno, H.B.,Chang, K.C.,Dunn, J.P.,Goldstein, D.M.,Gong, L.,Goyal, B.,Hermann, J.C.,Hogg, J.H.,Hsieh, G.,Jahangir, A.,Janson, C.,Jin, S.,Ursula Kammlott, R.,Kuglstatter, A.,Lukacs, C.,Michoud, C.,Niu, L.,Reuter, D.C.,Shao, A.,Silva, T.,Trejo-Martin, T.A.,Stein, K.,Tan, Y.C.,Tivitmahaisoon, P.,Tran, P.,Wagner, P.,Weller, P.,Wu, S.Y.; Development of amino-pyrimidine inhibitors of c-Jun N-terminal kinase (JNK): kinase profiling guided optimization of a 1,2,3-benzotriazole lead.; Bioorg.Med.Chem.Lett., 23:1486-1492, 2013; PubMed: 23352510; DOI: 10.1016/j.bmcl.2012.12.047

Experimental method

X-RAY DIFFRACTION (2.152 Å)