Summary
PDB 2B1P deposited: 2005-09-16 modified: 2009-02-24
Title inhibitor complex of JNK3
Authors Huerta, F., Kallin, E., Malmstrom, J., Ohberg, L., Swahn, B.M., Viklund, J., Weigelt, T., Womack, P., Xue, Y.
Method X-RAY DIFFRACTION
Structure factors resolution 1.9 rfactor 0.22 rfree 0.267
DPI 0.41 theoretical min: 0.19
Citations

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.

Bioorg.Med.Chem.Lett. 2005 Nov; 15(22):5095-5099 doi:10.1016/j.bmcl.2005.06.083

Cross References
Database source Identifier Description
ChEMBL Document CHEMBL1143651
PubMed 16140012 BMCLE8
Biomolecule Structure Assembly Serial Assembly Type Conformational State Chains Ligands Atoms
2B1P/0 2B1P 0 monomer 0 1 3 2666