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. Author manuscript; available in PMC: 2012 Apr 14.
Published in final edited form as: J Med Chem. 2011 Mar 7;54(7):2282–2292. doi: 10.1021/jm1014378

Figure 4.

Figure 4

Docking of raltegravir (1, A) and inhibitor 43 (B) in HIV-1 IN CCD in complex with Mg2+ and DNA. The 3-N hydroxyl group simultaneously chelates to both Mg2+ ions while allowing the placement of the benzyl group into the protein-DNA interfacial hydrophobic pocket.