3ELJ

Jnk1 complexed with a bis-anilino-pyrrolopyrimidine inhibitor.

Summary for 3ELJ

• Entry DOI: 10.2210/pdb3elj/pdb
• Related: 3EKK 3EKN
• Descriptor: Mitogen-activated protein kinase 8, 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide (3 entities in total)
• Functional Keywords: c-jun n-terminal kinase, mitogen-activated protein kinase, atp-binding, kinase, nucleotide-binding, phosphoprotein, serine/threonine-protein kinase, transferase, jnk1
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 42992.69

Authors

Chamberlain, S.,Atkins, C.,Deanda, F.,Dumble, M.,Gerding, R.,Groy, A.,Korenchuk, S.,Kumar, R.,Lei, H.,Mook, R.,Moorthy, G.,Redman, A.,Rowland, J.,Shewchuk, L.,Vicentini, G.,Mosley, J. (deposition date: 2008-09-22, release date: 2008-12-30, Last modification date: 2023-09-06)

• Primary citation: Chamberlain, S.D.,Redman, A.M.,Wilson, J.W.,Deanda, F.,Shotwell, J.B.,Gerding, R.,Lei, H.,Yang, B.,Stevens, K.L.,Hassell, A.M.,Shewchuk, L.M.,Leesnitzer, M.A.,Smith, J.L.,Sabbatini, P.,Atkins, C.,Groy, A.,Rowand, J.L.,Kumar, R.,Mook, R.A.,Moorthy, G.,Patnaik, S.; Optimization of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine IGF-1R tyrosine kinase inhibitors towards JNK selectivity.; Bioorg.Med.Chem.Lett., 19:360-364, 2009; PubMed: 19071018; DOI: 10.1016/j.bmcl.2008.11.077

Experimental method

X-RAY DIFFRACTION (1.8 Å)