X-ray structure release

In order to keep folks up-to-date with X-ray structure releases I’ll post in here whenever we update Fragalysis.

Any issues just let me know.

24 new structures now available:

Fragalysis_upload_2021-01-29.xlsx (17.7 KB)

This is an excellent idea!

Some new structures are now live on Fragalysis and there are a few things to note:

  • We are now using a different crystal form (same crystal form as immature structures (Mpro-N###) but with mature protein​)
  • This crystal form has more open crystal packing and more flexibility in loops around S3/S4 region (good for ligands targeting S4)​
  • The two dimer subunits are not identical​ and the ligand is not always bound in both
  • On Fragalysis the new structures will be labelled as P####_#A/B_LigandID (where P#### refers to the dataset and #A/B refers to the protein chain and the ligand e.g. 0A is the first ligand in chain A)

Dataset CID Site Fragalysis Link
   
Mpro-P0157

PET-UNK-29afea89-2
Image    
Isoquinoline

https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/PET-UNK-29afea89-2/L/P/C
Mpro-P0187 MAT-POS-de59a476-4 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-de59a476-4/L/P/C
Mpro-P0208 EDG-MED-971238d3-4 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDG-MED-971238d3-4/L/P/C
Mpro-P0033 MIC-UNK-91acba05-6 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MIC-UNK-91acba05-6/L/P/C
Mpro-P0047    LON-WEI-adc59df6-47 Image Ugi    https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/LON-WEI-adc59df6-47/L/P/C

Thanks, Daren, and I certainly need to revise how I’m thinking about structural elaboration from the methyl group of PET-UNK-29afea89-2. This binding mode does bring the methyl tantalizingly close to the catalytic cysteine although I (currently) believe that it will be difficult to present a covalent warhead to it.

Apologies for the delays between updates - a challenging run at Diamond and a few technical issues/corner cases were flushed out when uploading data from the new crystal form onto Fragalysis.

There are still some gremlins lurking including proper generation of the reference cartoon and when we fix these it is likely that previous snapshots will no longer work (sorry), but hopefully the data is still useful for design purposes.

If you spot any other issues, please let us know.

Dataset Compound Code Structure Site Fragalysis
Mpro-P0008 ERI-UCB-ce40166b-17 Image Quinolone https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/ERI-UCB-ce40166b-17/L/P/C
Mpro-P0009 MAT-POS-f2460aef-1 Image Ugi https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-f2460aef-1/L/P/C
Mpro-P0010 PET-UNK-c9c1e0d8-4 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/PET-UNK-c9c1e0d8-4/L/P/C
Mpro-P0012 ALP-POS-ce760d3f-2 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/ALP-POS-ce760d3f-2/L/P/C
Mpro-P0016 ALP-POS-64a710fa-1 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/ALP-POS-64a710fa-1/L/P/C
Mpro-P0017 ALP-POS-ce760d3f-8 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/ALP-POS-ce760d3f-8/L/P/C
Mpro-P0018 ERI-UCB-d6de1f3c-2 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/ERI-UCB-d6de1f3c-2/L/P/C
Mpro-P0019 PET-UNK-c9c1e0d8-3 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/PET-UNK-c9c1e0d8-3/L/P/C
Mpro-P0022 VLA-UCB-29506327-1 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/VLA-UCB-29506327-1/L/P/C
Mpro-P0026 ALP-POS-8b8a49e1-4 Image Moonshot - active site https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/ALP-POS-8b8a49e1-4/L/P/C
Mpro-P0030 EDG-MED-0e5afe9d-1 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDG-MED-0e5afe9d-1/L/P/C
Mpro-P0031 BEN-DND-c852c98b-10 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/BEN-DND-c852c98b-10/L/P/C
Mpro-P0034 EDJ-MED-92e193ae-1 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDJ-MED-92e193ae-1/L/P/C
Mpro-P0038 EDG-MED-0e5afe9d-3 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDG-MED-0e5afe9d-3/L/P/C
Mpro-P0039 EDG-MED-971238d3-5 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDG-MED-971238d3-5/L/P/C
Mpro-P0041 MAT-POS-090737b9-1 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-090737b9-1/L/P/C
Mpro-P0045 TRY-UNI-2eddb1ff-7 Image Aminopyridine https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/TRY-UNI-2eddb1ff-7/L/P/C
Mpro-P0053 BRU-THA-92256091-17 Image Ugi https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/BRU-THA-92256091-17/L/P/C
Mpro-P0056 RAL-THA-4aa06b95-1 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/RAL-THA-4aa06b95-1/L/P/C
Mpro-P0057 MAT-POS-6c284e65-1 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-6c284e65-1/L/P/C
Mpro-P0060 MIC-UNK-45817b9b-1 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MIC-UNK-45817b9b-1/L/P/C
Mpro-P0061 RAL-THA-2d450e86-26 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/RAL-THA-2d450e86-26/L/P/C
Mpro-P0063 RAL-THA-2d450e86-33 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/RAL-THA-2d450e86-33/L/P/C
Mpro-P0064 RAL-THA-2d450e86-10 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/RAL-THA-2d450e86-10/L/P/C
Mpro-P0065 RAL-THA-2d450e86-13 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/RAL-THA-2d450e86-13/L/P/C
Mpro-P0066 RAL-THA-2d450e86-1 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/RAL-THA-2d450e86-1/L/P/C
Mpro-P0068 RAL-THA-2d450e86-17 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/RAL-THA-2d450e86-17/L/P/C
Mpro-P0069 RAL-THA-2d450e86-7 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/RAL-THA-2d450e86-7/L/P/C
Mpro-P0075 RAL-THA-2d450e86-16 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/RAL-THA-2d450e86-16/L/P/C
Mpro-P0108 RAL-THA-2d450e86-6 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/RAL-THA-2d450e86-6/L/P/C
Mpro-P0111 ALP-UNI-3735e77e-2 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/ALP-UNI-3735e77e-2/L/P/C
Mpro-P0114 ALP-POS-869ac754-1 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/ALP-POS-869ac754-1/L/P/C
Mpro-P0121 MAT-POS-fce787c2-3 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-fce787c2-3/L/P/C
Mpro-P0124 BEN-DND-c852c98b-5 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/BEN-DND-c852c98b-5/L/P/C
Mpro-P0125 EDG-MED-971238d3-1 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDG-MED-971238d3-1/L/P/C
Mpro-P0129 MAT-POS-fce787c2-5 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-fce787c2-5/L/P/C
Mpro-P0130 RAL-THA-05e671eb-10 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/RAL-THA-05e671eb-10/L/P/C
Mpro-P0141 MAT-POS-f9802937-7 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-f9802937-7/L/P/C
Mpro-P0148 EDG-MED-5d232de5-3 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDG-MED-5d232de5-3/L/P/C
Mpro-P0160 EDG-MED-5d232de5-1 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDG-MED-5d232de5-1/L/P/C
Mpro-P0171 EDG-MED-5d232de5-6 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDG-MED-5d232de5-6/L/P/C
Mpro-P0179 VLA-UCB-50c39ae8-7 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/VLA-UCB-50c39ae8-7/L/P/C
Mpro-P0186 ALP-POS-c3a96089-4 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/ALP-POS-c3a96089-4/L/P/C
Mpro-P0213 MAT-POS-e69ad64a-2 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-e69ad64a-2/L/P/C
Mpro-P0224 EDJ-MED-8c98ee63-2 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDJ-MED-8c98ee63-2/L/P/C
Mpro-P0240 BEN-DND-f2e727cd-5 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/BEN-DND-f2e727cd-5/L/P/C
Mpro-P0243 EDJ-MED-d08626de-3 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDJ-MED-d08626de-3/L/P/C
Mpro-P0394 LON-WEI-9739a092-9
Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/PCM-0222105/L/P/C
Mpro-P0578 RAL-THA-4aa06b95-7 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/RAL-THA-4aa06b95-7/L/P/C
Mpro-P0601 EDJ-MED-e4b030d8-11 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDJ-MED-e4b030d8-11/L/P/C
Mpro-P0602 EDJ-MED-37aac4bd-4 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDJ-MED-37aac4bd-4/L/P/C
Mpro-P0607 MAT-POS-a13804f0-3 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-a13804f0-3/L/P/C
Mpro-P0626 ALP-POS-fe871b40-11 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/ALP-POS-fe871b40-11/L/P/C
Mpro-P0627 MAT-POS-78e1d523-1 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-78e1d523-1/L/P/C
Mpro-P0661 MAT-POS-932d1078-3 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/ALP-POS-fe871b40-11/L/P/C
Mpro-P0996 MAT-POS-4223bc15-30 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-4223bc15-30/L/P/C
Mpro-P1007 MAT-POS-4223bc15-3 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-4223bc15-3/L/P/C
Mpro-P1015 MAT-POS-4223bc15-2 Image Isoquinoline https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-4223bc15-2/L/P/C
2 Likes

There are a handful of new structures now live plus you can now inspect electron density and PanDDA event maps in Fragalysis by clicking the D button and selecting which maps you want to see (we are aware of some teething issues still but if you notice anything odd please do flag).

Dataset Compound Code Structure Fragalysis
Mpro-P0207 BEN-BAS-c2bc0d80-6 https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDG-MED-971238d3-4/L/P/C
Mpro-P1090 MAT-POS-4223bc15-23 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-4223bc15-23/L/P/C
Mpro-P1624 EDJ-MED-1981ceba-2 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDJ-MED-1981ceba-2/L/P/C
Mpro-P1638 EDJ-MED-1981ceba-3 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDJ-MED-1981ceba-3/L/P/C
Mpro-P1701 MAT-POS-8695a11f-1 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-8695a11f-1/L/P/C
Mpro-P1788 MAT-POS-dc2604c4-1 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-dc2604c4-1/L/P/C

New structures now online:

Dataset Compound ID Structure Fragalysis
Mpro-P0025 MAT-POS-afd4d4fd-2 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-afd4d4fd-2/L/P/C
Mpro-P0074 RAL-THA-2d450e86-12 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/RAL-THA-2d450e86-12/L/P/C
Mpro-P0091 RAL-THA-8416115c-13 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/RAL-THA-8416115c-13/L/P/C
Mpro-P0097 MAT-POS-5d65ec79-1 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-5d65ec79-1/L/P/C
Mpro-P0122 RAL-THA-8416115c-5 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/RAL-THA-8416115c-5/L/P/C
Mpro-P0126 RAL-THA-2d450e86-30 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/RAL-THA-2d450e86-30/L/P/C
Mpro-P0135 MAT-POS-de59a476-2 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-de59a476-2/L/P/C
Mpro-P0145 BRU-CON-c4e3408a-1 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/BRU-CON-c4e3408a-1/L/P/C
Mpro-P0151 EDG-MED-70ae9412-2 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDG-MED-70ae9412-2/L/P/C
Mpro-P0153 VLA-UNK-82501c2c-1 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/VLA-UNK-82501c2c-1/L/P/C
Mpro-P0154 EDG-MED-70ae9412-1 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDG-MED-70ae9412-1/L/P/C
Mpro-P0178 MAT-POS-fce787c2-4 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-fce787c2-4/L/P/C
Mpro-P0185 MAT-POS-fce787c2-6 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-fce787c2-6/L/P/C
Mpro-P0188 MAT-POS-5d65ec79-2 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-5d65ec79-2/L/P/C
Mpro-P0238 ALP-UNI-8e43a71e-8 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/ALP-UNI-8e43a71e-8/L/P/C
Mpro-P0600 ALP-UNI-3735e77e-1 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/ALP-UNI-3735e77e-1/L/P/C
Mpro-P0630 MAT-POS-e9e99895-11 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-e9e99895-11/L/P/C
Mpro-P0640 MAT-POS-e9e99895-2 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-e9e99895-2/L/P/C
Mpro-P0642 EDG-MED-ba1ac7b9-11 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDG-MED-ba1ac7b9-11/L/P/C
Mpro-P0655 MAT-POS-e9e99895-6 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-e9e99895-6/L/P/C
Mpro-P0744 MAT-POS-3ccb8ef6-1 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-3ccb8ef6-1/L/P/C
Mpro-P0747 MAT-POS-e9e99895-13 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-e9e99895-13/L/P/C
Mpro-P0764 LON-WEI-9739a092-6 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/LON-WEI-9739a092-6/L/P/C
Mpro-P0765 BEN-BAS-c2bc0d80-7 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/BEN-BAS-c2bc0d80-7/L/P/C
Mpro-P0766 EDJ-MED-9e38fd34-1 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDJ-MED-9e38fd34-1/L/P/C
Mpro-P0772 EDG-MED-ba1ac7b9-13 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDG-MED-ba1ac7b9-13/L/P/C
Mpro-P0776 MAT-POS-fb82b63d-3 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-fb82b63d-3/L/P/C
Mpro-P0777 PET-UNK-bb7ffe78-1 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/PET-UNK-bb7ffe78-1/L/P/C
Mpro-P0793 EDG-MED-5d232de5-7 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDG-MED-5d232de5-7/L/P/C
Mpro-P0800 MAT-POS-fb82b63d-1 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-fb82b63d-1/L/P/C
Mpro-P0805 EDG-MED-ba1ac7b9-21 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDG-MED-ba1ac7b9-21/L/P/C
Mpro-P0808 MAT-POS-dd3ad2b5-2 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-dd3ad2b5-2/L/P/C
Mpro-P0811 ALP-POS-477dc5b7-5 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/ALP-POS-477dc5b7-5/L/P/C
Mpro-P0816 EDG-MED-5d232de5-8 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDG-MED-5d232de5-8/L/P/C
Mpro-P0906 JIN-POS-6dc588a4-6 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/JIN-POS-6dc588a4-6/L/P/C
Mpro-P0925 SAM-UNK-2684b532-12 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/SAM-UNK-2684b532-12/L/P/C
Mpro-P0978 EDJ-MED-611d11e7-4 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDJ-MED-611d11e7-4/L/P/C
Mpro-P1200 MAT-POS-e6dd326d-6 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-e6dd326d-6/L/P/C
Mpro-P1477 MAT-POS-a13804f0-4 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-a13804f0-4/L/P/C
Mpro-P1507 MAT-POS-8293a91a-8 https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-8293a91a-8/L/P/C
Mpro-P1623 EDJ-MED-1981ceba-4 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDJ-MED-1981ceba-4/L/P/C
Mpro-P1661 EDG-MED-10fcb19e-1 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDG-MED-10fcb19e-1/L/P/C
Mpro-P1783 EDJ-MED-6bf93aa8-1 https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDJ-MED-6bf93aa8-1/L/P/C
Mpro-P1800 VLA-UCB-50c39ae8-2 https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/VLA-UCB-50c39ae8-2/L/P/C
Mpro-P1835 EDJ-MED-015fb6b4-2 https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/EDJ-MED-015fb6b4-2/L/P/C
Mpro-P1858 ALP-POS-6f6ae286-3 https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/ALP-POS-6f6ae286-3/L/P/C
Mpro-P2005 ADA-UCB-6c2cb422-1 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/ADA-UCB-6c2cb422-1/L/P/C
Mpro-P2007 PET-UNK-8df914d1-2 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/PET-UNK-8df914d1-2/L/P/C
Mpro-P2010 MIC-UNK-08cd9c58-1 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MIC-UNK-08cd9c58-1/L/P/C
Mpro-P2011 MAT-POS-bfb445d4-2 Image https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/MAT-POS-bfb445d4-2/L/P/C
1 Like
Dataset Compound ID Structure Fragalysis
Mpro-P2001 JAN-GHE-5a013bed-2 https://fragalysis.diamond.ac.uk/viewer/react/preview/direct/target/Mpro/mols/JAN-GHE-5a013bed-2/L/P/C