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. 2018 Jan 23;8:1437. doi: 10.1038/s41598-018-19944-4

Figure 1.

Figure 1

Molecular dynamics studies opened the DNA-binding pocket on MtbTopI. The Asinex compounds bind closer to the surface on the 5D5H crystal structure (a), while they can bind deeper inside the pocket on some of the MD-generated structures (b). Shown is Compound 1.