The diverse TiO2 crystal structure admits a variety of dopants (Shah et al. 2002), inducing different spore-inactivation mechanisms.
Its side chain is flexible and is found in diverse conformations in crystal structures of Clds: either pointing away from the heme b iron toward the putative substrate entrance or oriented toward the active site.
As the forces acting during the assembly of molecules into crystal structures are diverse, they should be considered in their entirety in any assessment.
The grown molecules are scored by a novel empirical scoring function developed using high-resolution crystal structures of diverse classes of protein ligand complexes and associated experimental binding affinities.
Through statistical analysis of protein kinase sequences and crystal structures from diverse organisms, we recently proposed that the activation of protein kinases involves a hidden strain switch in the catalytic loop.
GLAS is based on the conserved 24 inter-TM contacts as described by Venkatakrishnan et al. In a comparison of the crystal structures of diverse GPCRs using a network representation, it was shown that some of the contacts between TM helices are conserved, in a manner independent of the sequence diversity or functional state of the given GPCR.
Such databases are key resources that integrate diverse information such as molecular pathways, crystal structures, binding experiments, side effects, and drug targets.
There is a published study examining a diverse subset of 20 of the available CDK2 crystal structures, and we chose the one that performed best at docking the most structurally diverse group of CDK2 inhibitors [24].
These three residues are highly conserved across species and interact with structurally diverse PXR agonists, as evidenced by multiple PXR crystal structures.
For BmrR, known to bind a diverse group of hydrophobic cationic compounds, several crystal structures of its complexes have been determined: those with rhodamine 6G [27], tetraphenylphosphonium (TPP) [29] and berberine [27].
