3TTJ

Crystal Structure of JNK3 complexed with CC-359, a JNK inhibitor for the prevention of ischemia-reperfusion injury

Summary for 3TTJ

• Entry DOI: 10.2210/pdb3ttj/pdb
• Related: 3TTI
• Descriptor: Mitogen-activated protein kinase 10, 9-cyclopentyl-N~8~-(2-fluorophenyl)-N~2~-(4-methoxyphenyl)-9H-purine-2,8-diamine (3 entities in total)
• Functional Keywords: mitogen-activated protein kinase 10, jnk3, protein kinase inhibitors, 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: 53067.80

Authors

Plantevin-Krenitsky, V.,Delgado, M.,Nadolny, L.,Sahasrabudhe, K.,Ayala, S.,Clareen, S.,Hilgraf, R.,Albers, R.,Kois, A.,Hughes, K.,Wright, J.,Nowakowski, J.,Sudbeck, E.,Ghosh, S.,Bahmanyar, S.,Chamberlain, P.,Muir, J.,Cathers, B.E.,Giegel, D.,Xu, L.,Celeridad, M.,Moghaddam, M.,Khatsenko, O.,Omholt, P.,Katz, J.,Pai, S.,Fan, R.,Tang, Y.,Shirley, M.A.,Benish, B.,Blease, K.,Raymon, H.,Bhagwat, S.,Bennett, B.,Satoh, Y. (deposition date: 2011-09-14, release date: 2012-01-25, Last modification date: 2024-02-28)

• Primary citation: Krenitsky, V.P.,Delgado, M.,Nadolny, L.,Sahasrabudhe, K.,Ayala, L.,Clareen, S.S.,Hilgraf, R.,Albers, R.,Kois, A.,Hughes, K.,Wright, J.,Nowakowski, J.,Sudbeck, E.,Ghosh, S.,Bahmanyar, S.,Chamberlain, P.,Muir, J.,Cathers, B.E.,Giegel, D.,Xu, L.,Celeridad, M.,Moghaddam, M.,Khatsenko, O.,Omholt, P.,Katz, J.,Pai, S.,Fan, R.,Tang, Y.,Shirley, M.A.,Benish, B.,Blease, K.,Raymon, H.,Bhagwat, S.,Henderson, I.,Cole, A.G.,Bennett, B.,Satoh, Y.; Aminopurine based JNK inhibitors for the prevention of ischemia reperfusion injury.; Bioorg.Med.Chem.Lett., 22:1427-1432, 2012; PubMed: 22226655; DOI: 10.1016/j.bmcl.2011.12.028

Experimental method

X-RAY DIFFRACTION (2.1 Å)