Inclusion of thiamine diphosphate and S-adenosylmethionine at their chemically active sites

Molecular clips functionalized by phosphate groups bind thiamine diphosphate (TPP) and S-adenosylmethionine (SAM) with high affinity in water. Various analytical tools are discussed which point toward a simultaneous insertion of both heterocyclic rings into the electron rich cavity and pave way for enzyme models and direct interference with enzymatic processes.