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. 2021 Jul 2;64(14):9732–9758. doi: 10.1021/acs.jmedchem.1c00601

Figure 8.

Figure 8

(A) Molecular structures of MDL compounds (7a–c). (B) Structure of SIRT6 in complex with ADP–ribose (yellow), H3K9-Myr (myristoyl chain in dark green), and MDL-801 (7b) (green) with a focus on the 7b binding site, as reported by Huang et al. (PDB ID: 5Y2F). (C) Structure of SIRT6 in complex with ADP–ribose (yellow) as well as 7b (green) with a focus on the 7b binding site, as reported by You and Steegborn (PDB ID: 6XVG). Key residues for compounds’ binding are labeled, and polar interactions are shown as dashed orange lines.