3TTI

Crystal Structure of JNK3 complexed with CC-930, an orally active anti-fibrotic JNK inhibitor

Summary for 3TTI

• Entry DOI: 10.2210/pdb3tti/pdb
• Related: 3TTJ
• Descriptor: Mitogen-activated protein kinase 10, trans-4-({9-[(3S)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexanol, GLYCEROL, ... (4 entities in total)
• Functional Keywords: mitogen-activated protein kinase 10, jnk3, protein kinase inhibitors, kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm : P53779
• Total number of polymer chains: 1
• Total formula weight: 53189.87

Authors

Plantevin-Krenitsky, V.,Nadolny, L.,Delgado, M.,Ayala, L.,Clareen, S.,Hilgraf, R.,Albers, R.,Hegde, S.,D'Sidocky, N.,Sapienza, J.,Wright, J.,McCarrick, M.,Bahmanyar, S.,Chamberlain, P.,Delker, S.L.,Muir, J.,Giegel, D.,Xu, L.,Celeridad, M.,Lachowitzer, J.,Bennett, B.,Moghaddam, M.,Khatsenko, O.,Katz, J.,Fan, R.,Bai, A.,Tang, Y.,Shirley, M.A.,Benish, B.,Bodine, T.,Blease, K.,Raymon, H.,Cathers, B.E.,Satoh, Y. (deposition date: 2011-09-14, release date: 2012-02-01, Last modification date: 2024-02-28)

• Primary citation: Plantevin Krenitsky, V.,Nadolny, L.,Delgado, M.,Ayala, L.,Clareen, S.S.,Hilgraf, R.,Albers, R.,Hegde, S.,D'Sidocky, N.,Sapienza, J.,Wright, J.,McCarrick, M.,Bahmanyar, S.,Chamberlain, P.,Delker, S.L.,Muir, J.,Giegel, D.,Xu, L.,Celeridad, M.,Lachowitzer, J.,Bennett, B.,Moghaddam, M.,Khatsenko, O.,Katz, J.,Fan, R.,Bai, A.,Tang, Y.,Shirley, M.A.,Benish, B.,Bodine, T.,Blease, K.,Raymon, H.,Cathers, B.E.,Satoh, Y.; Discovery of CC-930, an orally active anti-fibrotic JNK inhibitor.; Bioorg.Med.Chem.Lett., 22:1433-1438, 2012; PubMed: 22244937; DOI: 10.1016/j.bmcl.2011.12.027

Experimental method

X-RAY DIFFRACTION (2.2 Å)