8.4 years ago by
I think Chris has a good point - protein structures are often what you need to have to even start guessing at drug structures, so its a lot easier to think of papers that are really the report of a protein structure.
A couple of examples:
HIV Protease structure in complex with peptide inhibitors. It was such an important target that they synthesized the protein on solid phase for the structure.
COX1 and 2 - primary targets for inflammation (I understand that the organic chemists built the COX inhibitors before the structure was done tho).
Influenza virus haemagglutinin - i think this actually helped spur the development of some flu drugs.
I would be interested to know if there were any purely insilico designed drug targets. Usually even insilico designed libraries of drug candidates are huge (> 100 million) and the computers use the structures of known drugs or of the protein target to throw out the first 80-90% then you have to just test the rest.