9LUG
 
 | | Crystal structure of SARS-Cov-2 main protease E166V mutant in complex with Bofutrelvir | | Descriptor: | ORF1a polyprotein, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | | Authors: | Zhou, X.L, Li, J. | | Deposit date: | 2025-02-08 | | Release date: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Inhibitory efficacy and structural insights of Bofutrelvir against SARS-CoV-2 M pro mutants and MERS-CoV M pro.
Commun Biol, 8, 2025
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9B4X
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9B8F
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9B9U
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9BBK
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9BBP
 | | SARS-CoV-2 Mpro in complex with compound 12d inhibitor | | Descriptor: | 3C-like proteinase nsp5, GLYCINE, N-{(2R)-1-amino-3-[(2R,3S)-2-hydroxypyrrolidin-3-yl]propan-2-yl}-N~2~-[4-(6-fluoropyridin-3-yl)benzoyl]-L-leucinamide, ... | | Authors: | Afsar, M, Bury, P, Olsen, S.K. | | Deposit date: | 2024-04-07 | | Release date: | 2025-04-16 | | Last modified: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | SARS-CoV-2 Mpro in complex with compound 12d inhibitor
To Be Published
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9BBQ
 | | SARS-CoV-2 Mpro in complex with compound 6c inhibitor | | Descriptor: | 3C-like proteinase nsp5, N-[(2R)-1-({(2S)-1-amino-3-[(2S,3R)-2-hydroxypyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4'-ethoxy[1,1'-biphenyl]-4-carboxamide | | Authors: | Afsar, M, Bury, P, Olsen, S.K. | | Deposit date: | 2024-04-07 | | Release date: | 2025-04-16 | | Last modified: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | SARS-CoV-2 Mpro in complex with compound 6c inhibitor
To Be Published
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9BBR
 | | SARS-CoV-2 Mpro in complex with compound 6b inhibitor | | Descriptor: | 3C-like proteinase nsp5, 4'-fluoro-N-[(2S)-1-({(2R)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl][1,1'-biphenyl]-4-carboxamide | | Authors: | Afsar, M, Bury, P, Olsen, S.K. | | Deposit date: | 2024-04-07 | | Release date: | 2025-04-16 | | Last modified: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | SARS-CoV-2 Mpro in complex with compound 6b inhibitor
To Be Published
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9BBS
 | | SARS-CoV-2 Mpro in complex with compound 6d inhibitor | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(2R)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4'-methoxy[1,1'-biphenyl]-4-carboxamide | | Authors: | Afsar, M, Bury, P, Olsen, S.K, Nayak, A. | | Deposit date: | 2024-04-07 | | Release date: | 2025-04-16 | | Last modified: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | SARS-CoV-2 Mpro in complex with compound 6d inhibitor
To Be Published
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9BBT
 | | SARS-CoV-2 Mpro in complex with compound 6f inhibitor | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(2R)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-3',4'-dimethoxy[1,1'-biphenyl]-4-carboxamide | | Authors: | Afsar, M, Bury, P, Olsen, S.K, Nayak, A. | | Deposit date: | 2024-04-07 | | Release date: | 2025-04-16 | | Last modified: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | SARS-CoV-2 Mpro in complex with compound 6f inhibitor
To Be Published
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9BBU
 | | SARS-CoV-2 Mpro in complex with compound 6h inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, N~2~-[4-(5-chloropyridin-3-yl)benzoyl]-N-{(1Z,2S)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | Authors: | Nayak, A, Afsar, M, Nayak, D, Olsen, S.K. | | Deposit date: | 2024-04-07 | | Release date: | 2025-04-16 | | Last modified: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | SARS-CoV-2 Mpro in complex with compound 6h inhibitor
To Be Published
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9BBV
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9BBW
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9BBX
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9BBY
 | | SARS-CoV-2 Mpro in complex with compound 18b inhibitor | | Descriptor: | 3-fluoro-N-[(2S)-1-({(2R)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4'-methoxy[1,1'-biphenyl]-4-carboxamide, 3C-like proteinase nsp5 | | Authors: | Afsar, M, Bury, P, Olsen, S.K. | | Deposit date: | 2024-04-07 | | Release date: | 2025-04-16 | | Last modified: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | SARS-CoV-2 Mpro in complex with compound 18b inhibitor
To Be Published
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9BBZ
 | | SARS-CoV-2 Mpro in complex with compound 18d inhibitor | | Descriptor: | 3C-like proteinase nsp5, N~2~-[(4M)-2-fluoro-4-(1-methyl-1H-indazol-5-yl)benzene-1-carbonyl]-N-{(1E,2S)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | Authors: | Afsar, M, Bury, P, Olsen, S.K. | | Deposit date: | 2024-04-07 | | Release date: | 2025-04-16 | | Last modified: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | SARS-CoV-2 Mpro in complex with compound 18d inhibitor
To Be Published
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9BC0
 | | SARS-CoV-2 Mpro in complex with compound 18r inhibitor | | Descriptor: | 3-chloro-N-[(2R)-1-({(1Z,2S)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4'-methoxy[1,1'-biphenyl]-4-carboxamide, 3C-like proteinase nsp5 | | Authors: | Afsar, M, Bury, P, Olsen, S.K. | | Deposit date: | 2024-04-07 | | Release date: | 2025-04-16 | | Last modified: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | SARS-CoV-2 Mpro in complex with compound 18r inhibitor
To Be Published
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9BD9
 | | SARS CoV-2 full-length WT spike protein, 1RBD-up conformation (SPIKE-WT) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Singh, S, Hasan, S.S. | | Deposit date: | 2024-04-11 | | Release date: | 2025-04-16 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Structure of SARS CoV-2 full-length spike protein, 1RBD-up conformation
To Be Published
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9BEA
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9DHY
 | | Structure of SARS-CoV-2 spike in complex with antibody Fab COVIC-154 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab COVIC-154 Heavy Chain, ... | | Authors: | Yu, X, Saphire, E.O. | | Deposit date: | 2024-09-04 | | Release date: | 2025-04-16 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | A global collaboration for systematic analysis of broad-ranging antibodies against the SARS-CoV-2 spike protein.
Cell Rep, 44, 2025
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8WTS
 | | SARS-CoV-2 3CLpro bound to covalent inhibitor | | Descriptor: | (2~{R})-2-[[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-(2-chloranyl-2-fluoranyl-ethanoyl)amino]-~{N}-(oxan-4-yl)-2-pyrimidin-5-yl-propanamide, 1,2-ETHANEDIOL, 3C-like proteinase, ... | | Authors: | Peng, J, Sun, D, Ding, X. | | Deposit date: | 2023-10-19 | | Release date: | 2025-04-23 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | A novel, covalent broad-spectrum inhibitor targeting human coronavirus M pro.
Nat Commun, 16, 2025
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8Z2E
 | | Crystal structure of nanobody Tnb04-1 with antibody 1F11 fab and SARS-CoV-2 RBD | | Descriptor: | 1F11-H, 1F11-L, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wang, X.Q, Zhang, L.Q, Chen, J, Dong, H.D. | | Deposit date: | 2024-04-12 | | Release date: | 2025-04-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of nanobody Tnb04-1 with antibody 1F11 fab and SARS-CoV-2 RBD
To Be Published
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9BC1
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9GF7
 | | SARS-CoV2 Main Protease (Mpro) in complex with the covalent inhibitor 28a | | Descriptor: | 3C-like proteinase nsp5, ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]quinoline-8-carboxamide | | Authors: | Lolicato, M, Arrigoni, C. | | Deposit date: | 2024-08-08 | | Release date: | 2025-04-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Synthesis and biological investigation of peptidomimetic SARS-CoV-2 main protease inhibitors bearing quinoline-based heterocycles at P 3.
Arch Pharm, 358, 2025
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9KN1
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