%0 Figure %A A. H. Batista, Fernanda %A B. B. Trivella, Daniela %A Bernardes, Amanda %A Gratieri, Joyce %A S. L. Oliveira, Paulo %A Carolina M. Figueira, Ana %A Webb, Paul %A Polikarpov, Igor %D 2012 %T Crystallographic structure superposition of selective ligands to each PPAR isotype. %U https://plos.figshare.com/articles/figure/_Crystallographic_structure_superposition_of_selective_ligands_to_each_PPAR_isotype_/309935 %R 10.1371/journal.pone.0033643.g004 %2 https://ndownloader.figshare.com/files/639454 %K superposition %K selective %K ligands %K ppar %X

Helices from PPAR are shown as yellow, magenta and green cartoons for PPARα, δ and γ, respectively. The α selective ligand, GW735 (PDBid: 2P54), the δ selective ligand, GW0742, and the γ selective ligand, rosiglitazone (PDBid: 2PRG), are shown as yellow, magenta and green sticks, respectively. Oxygen, nitrogen, sulfur and fluoride atoms are shown in red, blue, yellow and light blue, respectively. A) Upper vision of the binding site. B) Stereoscopic view of the PPAR binding sites, highlighting the importance of Val312 and Ile328 in GW0742 accommodation and GW735 and rosiglitazone displacement, presumably due to the presence of bulky substitutions. Ligands GW735, GW0742, rosiglitazone are painted in yellow, magenta and green, respectively.

%I PLOS ONE