Relating protein crystal structure to ligand-binding thermodynamics

Is it possible to relate experimental calorimetry measurements of protein ligand binding to 3D structures?

Crystal structure of Sphingobacterium multivorum serine palmitoyltransferase complexed with tris­(hydroxymethyl)amino­methane

Serine palmitoyltransferase (SPT) is the rate-limiting key enzyme in the sphingolipid biosynthetic pathway. Here, the structure of SPT from S. multivorum complexed with tris(hydroxymethyl)aminomethane is reported at 1.65 Å resolution, which is an improvement on the previously reported structure at 2.3 Å resolution.

The structure of His-tagged Geobacillus stearothermophilus purine nucleoside phosphorylase reveals a `spanner in the works'

The structure of Geobacillus stearothermophilus purine nucleoside phosphorylase, an enzyme of biocatalytic interest, is reported and was found to include the presence of an N-terminal tag in the active site of each subunit that belongs to the other subunit in each dimer. This serves as a warning that while tags enable simple and economic purification for proteins of industrial interest, care needs to be taken to ensure that they do not have unwanted effects on protein structure and function.