Is it possible to guess potential drug activity from its crystal structure?
Agnieszka Skórska-Stania, Magdalena Śliwa, Barbara J. Oleksyn, Kamil Musílek, Kamil Kuča, Josef Jampílek, Robert Musioł, Jiřı́ Dohnal · Acta Crystallographica Section A Foundations of Crystallography · 2009
Page s 148Pro183 and Pro188, is accommodated in a specific binding pocket.Comparison with other similar kinase structures shows a 180° rotation of the loop and suggests a possible pro-active dimer formation, by which intermolecular phosphorylation may occur.The well-defined proteinligand interactions further provide additional information for design of potent inhibitors.