9MRW
 
 | | Functional Implications of Hexameric Dynamics in SARS-CoV-2 Nsp15 | | Descriptor: | Uridylate-specific endoribonuclease nsp15 | | Authors: | Ketawala, G.K, Sonowal, M, Schrag, L, Fromme, R, Botha, S, Fromme, P. | | Deposit date: | 2025-01-08 | | Release date: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Functional implications of hexameric dynamics in SARS-CoV-2 Nsp15.
Protein Sci., 34, 2025
|
|
9MRY
 | | Functional Implications of HexamericDynamics in SARS-CoV-2 Nsp15 | | Descriptor: | Uridylate-specific endoribonuclease nsp15 | | Authors: | Ketawala, G.K, Sonowal, M, Schrag, L, Fromme, R, Botha, S, Fromme, P. | | Deposit date: | 2025-01-09 | | Release date: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Functional implications of hexameric dynamics in SARS-CoV-2 Nsp15.
Protein Sci., 34, 2025
|
|
9NWA
 | | Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-277-5Cl | | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(5-chloro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Bulut, H, Kuwata, N, Hayashi, H, Aoki, H, Das, D, Li, M, Wlodawer, A, Misumi, S, Tamamura, H, Mitsuya, H. | | Deposit date: | 2025-03-21 | | Release date: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Impact of Single Halogen Atom Substitutions on Potency of Inhibitors Targeting SARS-CoV-2 Main Protease
To Be Published
|
|
9NWC
 | | Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-276-5Br | | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(5-bromo-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-D-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Bulut, H, Kuwata, N, Hayashi, H, Aoki, H, Hattori, S, Li, M, Das, D, Misumi, S, Wlodawer, A, Tamamura, H, Mitsuya, H. | | Deposit date: | 2025-03-21 | | Release date: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Impact of Single Halogen Atom Substitutions on Potency of Inhibitors Targeting SARS-CoV-2 Main Protease
To Be Published
|
|
7HCB
 | |
7HCC
 | |
7HCD
 | |
7HCE
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000002 | | Descriptor: | 1-[(1R,6S,8R)-8lambda~4~-thia-7,9-diazatetracyclo[4.3.0.0~1,8~.0~6,8~]nona-2,4-diene-2-sulfonyl]-L-proline, DIMETHYL SULFOXIDE, Non-structural protein 3 | | Authors: | Correy, G.J, Fraser, J.S. | | Deposit date: | 2024-08-15 | | Release date: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
|
|
7HCF
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000313 | | Descriptor: | (2R)-3-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, (2S)-3-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, CHLORIDE ION, ... | | Authors: | Correy, G.J, Fraser, J.S. | | Deposit date: | 2024-08-15 | | Release date: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
|
|
7HCG
 | |
7HCH
 | |
7HCI
 | |
7HCJ
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000328 | | Descriptor: | (2R)-2-methyl-3-[(2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)amino]propanoic acid, (2S)-2-methyl-3-[(2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)amino]propanoic acid, Non-structural protein 3 | | Authors: | Correy, G.J, Fraser, J.S. | | Deposit date: | 2024-08-15 | | Release date: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
|
|
7HCK
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000329 | | Descriptor: | (2S)-6-methyl-N-[(4S)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-2-carboxamide, Non-structural protein 3 | | Authors: | Correy, G.J, Fraser, J.S. | | Deposit date: | 2024-08-15 | | Release date: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
|
|
7HCL
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000341 | | Descriptor: | 2-[2-(6-methyl-4-oxothieno[2,3-d][1,2,3]triazin-3(4H)-yl)ethyl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione, Non-structural protein 3 | | Authors: | Correy, G.J, Fraser, J.S. | | Deposit date: | 2024-08-15 | | Release date: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
|
|
7HCM
 | |
7HCN
 | |
7HCO
 | |
7HCP
 | |
7HCQ
 | |
7HCR
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000611 | | Descriptor: | (3R)-3-hydroxy-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide, (3S)-3-hydroxy-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide, CHLORIDE ION, ... | | Authors: | Correy, G.J, Fraser, J.S. | | Deposit date: | 2024-08-15 | | Release date: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
|
|
7HCS
 | |
7HCT
 | |
7HCU
 | |
7HCV
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000610 | | Descriptor: | (3R,5R)-5-(hydroxymethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Correy, G.J, Fraser, J.S. | | Deposit date: | 2024-08-15 | | Release date: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
|
|
