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Molecular Modeling Study on the Allosteric Inhibition Mechanism of HIV-1 Integrase by LEDGF/p75 Binding Site Inhibitors

Figure 11

Scheme of the active site DDE motif (Asp64, Asp116, and Glu152) models for (A) LEDGF/p75, (B) BI-1001 and (C) CX14442 bound HIV-1 IN complexes.

The measured distances between the centroid of the side chains of the three conserved catalytic residues were labeled in each model.

Figure 11

doi: https://doi.org/10.1371/journal.pone.0090799.g011