Summary
PDB 3G9N deposited: 2009-02-13 modified: 2011-07-13
Title JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-phenylindolin-2-one
Authors Bemis, G., Cao, J., Gao, H., Green, J., Harrington, E., Jacobs, M., Ledeboer, M., Pazhanisamy, S., Salituro, F., Taslimi, P., Wilke, S., Xie, X.
Method X-RAY DIFFRACTION
Structure factors resolution 2.8 rfactor 0.226 rfree 0.326
DPI 1.34 theoretical min: 0.61
Related PDB Entries 3G90 3G9L
Citations

A series of N-benzylated isatin oximes were developed as inhibitors of the mitogen-activated kinase, JNK3. X-ray crystallographic structures aided in the design and synthesis of novel, selective compounds, that inhibit JNK3, but not p38 MAP kinase and provided key insights into understanding the behavior of gatekeeper residue methionine-146 in determining target selectivity for this series.

Bioorg.Med.Chem.Lett. 2009 May; 19(10):2891-2895 doi:10.1016/j.bmcl.2009.03.043

Cross References
Database source Identifier Description
ChEMBL Document CHEMBL1153595
PubMed 19361991 BMCLE8
Biomolecule Structure Assembly Serial Assembly Type Conformational State Chains Ligands Atoms
3G9N/0 3G9N 0 monomer 0 1 1 2672