Project milestone Open Access
Identifying new ligands for the SARS-CoV-2 Macrodomain by Fragment Screening and Multi-temperature Crystallography
James S Fraser
Research group(s)
QBI Coronavirus Research Group Structural Biology ConsortiumMacrodomain is a compelling target for SARS-CoV-2, but there are no inhibitors (or even starting points for inhibitors). The QCRG Structural Biology Consortium performed a crystallographic fragments screen, identifying a few small molecules to kick-start our work to develop an inhibitor. Our friends in the UK, Ivan Ahel’s lab and X-Chem, did something similar and found even more fragment starting points. We are releasing the data together!
This record (see README file) has the data available here: https://fraserlab.com/macrodomain/ and published here: https://pubmed.ncbi.nlm.nih.gov/33853786/
Files
(632.7 MB)
| Name | Size | |
|---|---|---|
|
macrodomain.zip
md5:7e114a9038057f2ced57ecdabb1a769a |
1.6 MB | Download |
|
ucsf_nsp3_mac1_C2.zip
md5:5b53f87e16588241f36f2e53414a8d80 |
631.1 MB | Download |
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downloads
| All versions | This version | |
|---|---|---|
| Views | 2,211 | 1,190 |
| Downloads | 295 | 51 |
| Data volume | 53.1 GB | 13.3 GB |
| Unique views | 2,029 | 1,094 |
| Unique downloads | 140 | 40 |
Indexed in
- Publication date:
- April 23, 2021
- DOI:
-
- Keyword(s):
- coronavirus macrodomain fragment screening X-ray crystallography
- Related identifiers:
- Derived from
- Communities:
- License (for files):
- Creative Commons Attribution 4.0 International