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. 2022 May 11;67:116788. doi: 10.1016/j.bmc.2022.116788

Figure 2.

Figure 2

Models of compounds 6g and 6h in the Mac1 active site. A) Compound 6g docked into Mac1. B) Parent fragment 1 co-crystallized structure with Mac1. C) Compound 6h docked into Mac1. D) ADPr co-crystallized with Mac1 (PDB 6WOJ). Hydrogen bonds are represented as yellow dashes, while pi-pi interactions are represented as cyan dashes.