Myricetin-bound crystal structure of the SARS-CoV-2 helicase NSP13 facilitates the discovery of novel natural inhibitors

Kloskowski, P.; Neumann, P.; Kumar, P.; Berndt, A.; Dobbelstein, M.; Ficner, R.

doi:10.1107/S2059798325004498

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

IUCr IT WDC

home archive editors for authors for readers submit subscribe open access

view article

Figure 7
Predicted binding mode of myricetin at the nucleotide-binding cleft of SARS-CoV-2 NSP13. The NSP13 structure in complex with myricetin, as predicted by RoseTTAFold All-Atom, is shown in surface representation, highlighting the nucleotide-binding cleft formed by the RecA1 (orange) and RecA2 (blue) domains. Myricetin (yellow) and AMP-PNP from PDB entry 7nn0 are depicted in ball-and-stick format, indicating the location of the cleft. The inset provides a detailed view of myricetin positioned near the catalytic residue Glu375.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 81| Part 6| June 2025| Pages 310-326

https://doi.org/10.1107/S2059798325004498

Open

access

Follow Acta Cryst. D

Search IUCr Journals		doi		Advanced search
Author		volume	page