We created a database of 320 BACE-1 co-crystal structures which we found in the RCSB Protein Data Bank (rcsb.org) . We relied on visual inspection to select 9 protein crystal structures with co-crystallized ligands similar to the 20 target ligands -2P83 , 2VIE , 3DV1 , 3DV5 , 3K5C , 4DPF , 4DPI , 4GMI and 2QZL ). More details about the chosen receptor structures can be found in Table and Fig. .