3DA6

Crystal Structure of human JNK3 complexed with N-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine

Summary for 3DA6

• Entry DOI: 10.2210/pdb3da6/pdb
• Related: 2B1P
• Descriptor: Mitogen-activated protein kinase 10, N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine (3 entities in total)
• Functional Keywords: jnk3, kinase, alternative splicing, atp-binding, chromosomal rearrangement, cytoplasm, epilepsy, nucleotide-binding, phosphoprotein, serine/threonine-protein kinase, transferase
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm : P53779
• Total number of polymer chains: 1
• Total formula weight: 42533.21

Authors

Cee, V.J.,Cheng, A.C.,Romero, K.,Bellon, S.,Mohr, C.,Whittington, D.A.,Bready, J.,Caenepeel, S.,Coxon, A.,Deak, H.L.,Hodous, B.L.,Kim, J.L.,Lin, J.,Nguyen, H.,Olivieri, P.R.,Patel, V.F.,Wang, L.,Hughes, P.,Geuns-Meyer, S. (deposition date: 2008-05-28, release date: 2009-01-06, Last modification date: 2024-02-21)

Primary citation

Cee, V.J.,Cheng, A.C.,Romero, K.,Bellon, S.,Mohr, C.,Whittington, D.A.,Bak, A.,Bready, J.,Caenepeel, S.,Coxon, A.,Deak, H.L.,Fretland, J.,Gu, Y.,Hodous, B.L.,Huang, X.,Kim, J.L.,Lin, J.,Long, A.M.,Nguyen, H.,Olivieri, P.R.,Patel, V.F.,Wang, L.,Zhou, Y.,Hughes, P.,Geuns-Meyer, S.
Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase
Bioorg.Med.Chem.Lett., 19:424-427, 2009

PubMed Abstract: Selective small molecule inhibitors of Tie-2 kinase are important tools for the validation of Tie-2 signaling in pathological angiogenesis. Reported herein is the optimization of a nonselective scaffold into a potent and highly selective inhibitor of Tie-2 kinase.

PubMed: 19062275
DOI: 10.1016/j.bmcl.2008.11.056

Experimental method

X-RAY DIFFRACTION (2 Å)