The present invention relates to a data storage medium encoded with the
corresponding structure coordinates of molecules and molecular complexes
which comprise the active site-binding pockets of JNK3. A computer
comprising such data storage material is capable of displaying such
molecules and molecular complexes, or their structural homologues, as a
graphical three-dimensional representation on a computer screen. This
invention also relates to methods of using the structure coordinates to
solve the structure of homologous proteins or protein complexes. In
addition, this invention relates to methods of using the structure
coordinates to screen and design compounds, including inhibitory
compounds, that bind to JNK3 or homologues thereof. This invention also
relates to molecules and molecular complexes which comprise the active
site binding pockets of JNK3 or close structural homologues of the active
site binding pockets.