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 Cited by PubMed Abstract: The SAR of C5' functional groups with terminal basic amines at the C6 aniline of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidines is reported. Examples demonstrate potent inhibition of IGF-1R with 1000-fold selectivity over JNK1 and 3 in enzymatic assays. PubMed: 19071018DOI: 10.1016/j.bmcl.2008.11.077 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.8 Å) |
Structure validation
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