4IZY

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

Summary for 4IZY

• Entry DOI: 10.2210/pdb4izy/pdb
• Related: 4HYS 4HYU
• Descriptor: Mitogen-activated protein kinase 8, C-Jun-amino-terminal kinase-interacting protein 1, trans-4-[(4-{4-[4-(methylsulfonyl)piperidin-1-yl]-1H-indol-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: 44403.40

Authors

Kuglstatter, A.,Shao, A. (deposition date: 2013-01-30, release date: 2013-12-18, Last modification date: 2023-09-20)

• Primary citation: Gong, L.,Han, X.,Silva, T.,Tan, Y.C.,Goyal, B.,Tivitmahaisoon, P.,Trejo, A.,Palmer, W.,Hogg, H.,Jahagir, A.,Alam, M.,Wagner, P.,Stein, K.,Filonova, L.,Loe, B.,Makra, F.,Rotstein, D.,Rapatova, L.,Dunn, J.,Zuo, F.,Dal Porto, J.,Wong, B.,Jin, S.,Chang, A.,Tran, P.,Hsieh, G.,Niu, L.,Shao, A.,Reuter, D.,Hermann, J.,Kuglstatter, A.,Goldstein, D.; Development of indole/indazole-aminopyrimidines as inhibitors of c-Jun N-terminal kinase (JNK): optimization for JNK potency and physicochemical properties.; Bioorg.Med.Chem.Lett., 23:3565-3569, 2013; PubMed: 23664880; DOI: 10.1016/j.bmcl.2013.04.029

Experimental method

X-RAY DIFFRACTION (2.3 Å)