2B1P

inhibitor complex of JNK3

Summary for 2B1P

• Entry DOI: 10.2210/pdb2b1p/pdb
• Descriptor: Mitogen-activated protein kinase 10, SULFATE ION, 3-{6-[(2-CHLOROPHENYL)AMINO]-1H-INDAZOL-3-YL}-5-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}BENZOIC ACID, ... (5 entities in total)
• Functional Keywords: enzyme-inhibitor complex, kinase inhibitor, transferase
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: P53779
• Total number of polymer chains: 1
• Total formula weight: 41731.72

Authors

Swahn, B.M.,Huerta, F.,Kallin, E.,Malmstrom, J.,Weigelt, T.,Viklund, J.,Womack, P.,Xue, Y.,Ohberg, L. (deposition date: 2005-09-16, release date: 2006-09-16, Last modification date: 2024-03-13)

Primary citation

Swahn, B.M.,Huerta, F.,Kallin, E.,Malmstrom, J.,Weigelt, T.,Viklund, J.,Womack, P.,Xue, Y.,Ohberg, L.
Design and synthesis of 6-anilinoindazoles as selective inhibitors of c-Jun N-terminal kinase-3
Bioorg.Med.Chem.Lett., 15:5095-5099, 2005

PubMed Abstract: The structure-based design and synthesis of a new series of c-Jun N-terminal kinase-3 inhibitors with selectivity against JNK1 and p38alpha is reported. The novel series of substituted 6-anilinoindazoles were designed based on a combination of hits from high throughput screening and X-ray crystal structure information of the compounds crystallized into the JNK3 ATP binding active site.

PubMed: 16140012
DOI: 10.1016/j.bmcl.2005.06.083

Experimental method

X-RAY DIFFRACTION (1.9 Å)