Published June 2, 2021
| Version 1
Dataset
Open
Nsp3 macrodomain of SARS-CoV-2 ; A Target Enabling Package
Authors/Creators
- Marion Schuller
- Galen J. Correy
- Stefan Gahbauer
- Daren Fearon
- Taiasean Wu
- Roberto Efraín Díaz
- Iris D. Young
- Luan Carvalho Martins
- Dominique H. Smith
- Ursula Schulze-Gahmen
- Tristan W. Owens
- Ishan Deshpande
- Gregory E. Merz
- Aye C. Thwin
- Justin T. Biel
- Jessica K. Peters
- Michelle Moritz
- Nadia Herrera
- Huong T. Kratochvil
- CRG Structural Biology Consortium
- Anthony Aimon
- James M. Bennett
- Jose Brandao Neto
- Aina E. Cohen
- Alexandre Dias
- Alice Douangamath
- Louise Dunnett
- Oleg Fedorov
- Gustavo Arruda Bezerra
- Matteo P. Ferla
- Martin R. Fuchs
- Tyler J. Gorrie-Stone
- James M. Holton
- Michael G. Johnson
- Tobias Krojer
- George Meigs
- Ailsa J. Powell
- Johannes Gregor Matthias Rack
- Victor L. Rangel
- Silvia Russi
- Rachael E. Skyner
- Clyde A. Smith
- Alexei S. Soares
- Jennifer L. Wierman
- Kang Zhu
- Peter O'Brien
- Natalia Jura
- Alan Ashworth
- John J. Irwin
- Michael C. Thompson
- Jason E. Gestwicki
- Frank von Delft
- Brian K. Shoichet
- James S. Fraser
Description
The conserved macrodomain encoded as non-structural protein 3 (Nsp3 Mac1) is employed by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) to remove host-derived ribosylation, which is a post-translational modification involved in the production of antiviral cytokines. This TEP provides early tools to develop Nsp3 Mac1 inhibitors, including purification protocols of recombinant proteins, reproducible crystallisation condition suitable for X-ray crystallography fragment screening, biophysical (activity and binding) assays and over 200 fragment hits representing a wide range of chemotypes, that are a starting point for the development of more selective and potent compounds.
Notes
This document represents version 1 of the TEP datasheet. For more information about TEPs and the TEP Programme, please visit https://www.cmd.ox.ac.uk/resources/teps
Files
Nsp3_TEP_v0.pdf
Files
(11.1 MB)
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Additional details
Funding
- Wellcome Trust
- A UK Hub to Catalyse Open Target Discovery. 106169