| Popis: |
Table S1. Comparison of the PPP5C-LB-100 model with known structures of PPP5C-inhibitor complexes; Supplementary Figure S1 shows. Isomorphous difference Fourier (Fo-Fo) map of PPP5C-LB-100 - PPP5C-4TE, created in PHENIX, contoured at 3σ. Red and green coloring indicate negative and positive density, respectively. The red arrow highlights the negative density for the C5 methyl in 4TE that is not present in LB-100. From the map, there is no apparent positive density for the methylpiperazine ring of LB-100; Supplementary Figure S2 shows the mass spectrometry analysis of LB-100 revealing a mass of 269.15, which corresponds to the mass of protonated LB-100; theoretical mass of 268.31. |
