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. 2018 Nov 27;47(3):1523–1531. doi: 10.1093/nar/gky1197

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© The Author(s) 2018. Published by Oxford University Press on behalf of Nucleic Acids Research.

This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.

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Figure 4. — Structure of JB181 bound to HIV-1 TAR RNA, based on the experimental restraints summarized in Supplementary Table S2. (A) The representative (lowest energy) structure of the complex shows similar orientation to other ligands of this class. (B) Overlay of the 20 lowest energy structures with all atom alignment showing excellent precision even without RDC refinement (GUA = Red, ADE = Orange, CYT = Blue, URI = light blue), except for G32 and G33. (C) JB181 fully occupies the major groove.