Extended Data Fig. 1: Crystal structures of Sirt6 complexes with MDL-801.

a, MDL-801 binding site region in the Sirt6^13–308 reference structure (not soaked with MDL-801). The 2F_o-F_c electron density (ED) is contoured at 1σ, and the anomalous density at 4σ. b, Zn²⁺-site of the Sirt6^3–318/MDL-801 complex and c, of the Sirt6^13–308 reference structure. The anomalous ED is contoured at 3σ. d, Scheme of the interactions between Sirt6^13–308 and MDL-801. e, Zn²⁺-site of the Sirt6^3–318 reference structure and f, the Sirt6^3–318/MDL-801 complex, respectively, overlaid with anomalous ED contoured at 3σ. g, Scheme of the interactions between Sirt6^3–318 and MDL-801. h, Overlay of the different MDL-801 conformations in the six copies of the complex in the asymmetric unit.