ChEMBL

The latest GPCR structure, published in Structure, details three ligand complexes, ZM-241385, a xanthine (XAC) and caffeine. In addition to the interpretation of the complex structures, the paper additionally the use of thermostabilisation as a strategy to generate crystallisable forms of GPCRs. Of more populist interest is, for the first time we can see the molecular basis of one of the most widely used stimulant drugs in action - caffeine.

Coordinates are accessible at PDBe:3pwh (ZM-241385 CHEMBL113142), 3rey (xanthine amine conjugate, XAC CHEMBL273094) and 3rfm (caffeine CHEMBL113).

%T Structure of the Adenosine A2A Receptor in Complex with ZM241385 and the Xanthines XAC and Caffeine
%A A.S. Dore
%A N. Robertson
%A J.C. Errey
%A I. Ng
%A K. Hollenstein
%A B. Tehan
%A E. Hurrell
%A K. Bennett
%A M. Congreve
%A F. Magnani
%A C.G. Tate
%A M. Weir
%A F.H. Marshall
%J Structure 
%D 2011 
%O doi:10.1016/j.str.2011.06.014