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. Author manuscript; available in PMC: 2017 Jul 14.
Published in final edited form as: J Med Chem. 2016 Jun 17;59(13):6136–6148. doi: 10.1021/acs.jmedchem.6b00040

Figure 2.

Figure 2

a) Predicted binding mode of 45 (yellow) as obtained by molecular docking in the PFV intasome catalytic site (PDB code: 3S3M).50 Magnesium cations depicted in green spheres, catalytic residues in green sticks and viral DNA in magenta cartoon. b) Overlay of 45 (yellow) and crystallographic 3 (cyan) in the catalytic active site of PFV intasome (PDB code: 3S3M) with Mg2+ ions in green spheres and viral DNA in magenta cartoon. Numbering in black is in accordance to the PFV intasome crystal structure (PDB code: 3S3M).