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. 2020 Nov 17;11:581668. doi: 10.3389/fgene.2020.581668

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Copyright © 2020 Ao, Han, Sun, Wu, Liu and Huang.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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The complex 3D structure of SARS-CoV-2 RdRp with potential agents. (A) Cartoon representation of the RdRp-inhibitor (Amentoflavone, PubChemCID 5281600) complex. (B) Surface representation of the RdRp-Amentoflavone complex. (C) An enlarged view of the RdRp substrate-binding pocket with Amentoflavon. The key residues 125A, 129Y, 208D, 207L, and 724Q are shown as brown sticks; the background is the surface of RdRp substrate-binding pocket; Amentoflavon is shown as green and red spheres and sticks. (D) Cartoon representation of the RdRp-inhibitor (Lurbinectedin, PubChemCID 57327016) complex. (E) Surface representation of the RdRp-Lurbinectedin complex. (F) An enlarged view of RdRp substrate-binding pocket with Lurbinectedin. The key residues 781N and 129Y are shown as brown sticks; the background is the surface of substrate-binding pocket of RdRp; Lurbinectedin is shown as green and red spheres and sticks.