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. Author manuscript; available in PMC: 2020 Aug 24.
Published in final edited form as: J Med Chem. 2019 Apr 23;62(10):4884–4901. doi: 10.1021/acs.jmedchem.9b00193

Figure 5:

Figure 5:

Comparison of methylene (compound 23 - magenta) and amine (compound 6 – yellow) linkers. (A) Only residues from the compound 6 co-crystal structure are shown for simplicity as no major changes are observed in the side-chain rotamers. Waters associated with 6 (red) and 23 (blue) are shown with hydrogen bonds for 6 (black) and 23 (red). UCR2 is in cyan and the zinc atom is a gray sphere. (B) Overlay of 6 (yellow) and 23 (magenta) with 2Fo-Fc electron density contoured at 1σ (blue mesh) and Fo-Fc electron density contoured at 3σ (green/red mesh). Waters associated with 6 (red) and 23 (sand) are shown with the hydrogen bond unique to 6 highlighted in red.