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. 2023 Sep 29;63(20):6396–6411. doi: 10.1021/acs.jcim.3c00939

Figure 3.

Figure 3

3D graphic of the CBS by overlaying the crystal structures (PDB: 1SA0, 5CA1, and 6O5M)11,34,39 in complex with the ligands 1b (yellow, sticks), 3 (green, sticks), and 5 (magenta, sticks) showing polar interactions with amino acid residues αThr179, αVal181, βCys241, βAsn347, and βGlu198 (gray, sticks). Made in PyMOL.12