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 has the data available here: https://fraserlab.com/macrodomain/ prior to public release on July 9, 2020.
Files
(668.5 MB)
| Name | Size | |
|---|---|---|
|
20200630_ucsf_macrdomain_fragments.xlsx
md5:219cb3b2f47f168d9cec221d3ccbb9e7 |
33.5 kB | Download |
|
hits_mtzs_models.zip
md5:98c95dda55f917c3983612a96b9b566e |
146.8 MB | Download |
|
macrodomain.zip
md5:7e114a9038057f2ced57ecdabb1a769a |
1.6 MB | Download |
|
mtzs_all.zip
md5:97da6f0ab873ecd2d57b2b3350c8a9c7 |
520.0 MB | Download |
2,061
271
views
downloads
| All versions | This version | |
|---|---|---|
| Views | 2,061 | 919 |
| Downloads | 271 | 225 |
| Data volume | 46.6 GB | 35.8 GB |
| Unique views | 1,887 | 861 |
| Unique downloads | 118 | 82 |
Indexed in
- Publication date:
- July 6, 2020
- DOI:
-
- Keyword(s):
- coronavirus macrodomain fragment screening X-ray crystallography
- Related identifiers:
- Derived from
- Communities:
- License (for files):
- Creative Commons Attribution 4.0 International