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. 2019 Jun 14;47(19):10134–10150. doi: 10.1093/nar/gkz515

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Published by Oxford University Press on behalf of Nucleic Acids Research 2019.

This work is written by (a) US Government employee(s) and is in the public domain in the US.

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Figure 6. — (A) Structure of TDP1 complexed with compound 3, (TDP1 carbon atoms in gray, fragment carbons in green, oxygen atoms in red and nitrogen atoms in blue, PDB code: 6DIH). Hydrogen bond atoms are shown as red dashes. The fit of 3 to the 2F_o-F_c electron density map (blue, 1.78 resolution, 1.0σ level contour) is shown. (B) Structure of TDP1 bound to compound 4 (PDB code: 6DJI). The fit of 4 to the 2F_o-F_c electron density map (blue, 1.75 Å resolution, 1.0σ level contour) is shown. (C) Structure of TDP1 bound to compound 5 at 1.74 Å (PDB code: 6DJJ). The fit of 5 to the 2F_o-F_c electron density map (blue, 1.0σ level contour) is highlighted. (D) Comparison of the binding modes of compound 1 (carbon atom in cyan) and compound 5 (carbon atoms in green).