8UR9
 
 | | Crystal Structure of the SARS-CoV-2 Main Protease in Complex with Compound 61 | | Descriptor: | (5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione, 3C-like proteinase nsp5 | | Authors: | Papini, C, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2023-10-25 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Proof-of-concept studies with a computationally designed M pro inhibitor as a synergistic combination regimen alternative to Paxlovid.
Proc.Natl.Acad.Sci.USA, 121, 2024
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9BO6
 | | Crystal Structure of A173V/L50F SARS-CoV-2 Main Protease in Complex with Nirmatrelvir | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-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: | Papini, C, Kenneson, J, Anderson, K.S. | | Deposit date: | 2024-05-03 | | Release date: | 2025-02-12 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (M pro ) with Noncovalent Preclinical Candidate, Mpro61.
Acs Bio Med Chem Au, 5, 2025
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9BOE
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9BNV
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9BNY
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9BNU
 | | Crystal Structure of T190I SARS-CoV-2 Main Protease | | Descriptor: | 3C-like proteinase nsp5 | | Authors: | Papini, C, Anderson, K.S. | | Deposit date: | 2024-05-03 | | Release date: | 2025-02-12 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (M pro ) with Noncovalent Preclinical Candidate, Mpro61.
Acs Bio Med Chem Au, 5, 2025
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9BO9
 | | Crystal Structure of T190I SARS-CoV-2 Main Protease in Complex with GC376 | | Descriptor: | 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | Authors: | Papini, C, Anderson, K.S. | | Deposit date: | 2024-05-03 | | Release date: | 2025-02-12 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (M pro ) with Noncovalent Preclinical Candidate, Mpro61.
Acs Bio Med Chem Au, 5, 2025
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9BO7
 | | Crystal Structure of L50F SARS-CoV-2 Main Protease in Complex with Nirmatrelvir | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-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: | Papini, C, Kenneson, J, Anderson, K.S. | | Deposit date: | 2024-05-03 | | Release date: | 2025-02-12 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (M pro ) with Noncovalent Preclinical Candidate, Mpro61.
Acs Bio Med Chem Au, 5, 2025
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9BNT
 | | Crystal Structure of T21I SARS-CoV-2 Main Protease | | Descriptor: | 3C-like proteinase | | Authors: | Papini, C, Anderson, K.S. | | Deposit date: | 2024-05-03 | | Release date: | 2025-02-12 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (M pro ) with Noncovalent Preclinical Candidate, Mpro61.
Acs Bio Med Chem Au, 5, 2025
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9BO4
 | | Crystal Structure of T21I SARS-CoV-2 Main Protease in Complex with Nirmatrelvir | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-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 | | Authors: | Papini, C, Anderson, K.S. | | Deposit date: | 2024-05-03 | | Release date: | 2025-02-12 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (M pro ) with Noncovalent Preclinical Candidate, Mpro61.
Acs Bio Med Chem Au, 5, 2025
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9BNW
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9BO5
 | | Crystal Structure of T190I SARS-CoV-2 Main Protease in Complex with Nirmatrelvir | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-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: | Papini, C, Anderson, K.S. | | Deposit date: | 2024-05-03 | | Release date: | 2025-02-12 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (M pro ) with Noncovalent Preclinical Candidate, Mpro61.
Acs Bio Med Chem Au, 5, 2025
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9BO1
 | | Crystal Structure of T190I SARS-CoV-2 Main Protease in Complex with Compound Mpro61 | | Descriptor: | (5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione, 3C-like proteinase nsp5 | | Authors: | Papini, C, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2024-05-03 | | Release date: | 2025-02-12 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (M pro ) with Noncovalent Preclinical Candidate, Mpro61.
Acs Bio Med Chem Au, 5, 2025
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9BO0
 | | Crystal Structure of T21I SARS-CoV-2 Main Protease in Complex with Compound Mpro61 | | Descriptor: | (5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione, 3C-like proteinase | | Authors: | Papini, C, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2024-05-03 | | Release date: | 2025-02-12 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (M pro ) with Noncovalent Preclinical Candidate, Mpro61.
Acs Bio Med Chem Au, 5, 2025
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9BO8
 | | Crystal Structure of T21I SARS-CoV-2 Main Protease in Complex with GC376 | | Descriptor: | 3C-like proteinase, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | Authors: | Papini, C, Anderson, K.S. | | Deposit date: | 2024-05-03 | | Release date: | 2025-02-12 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (M pro ) with Noncovalent Preclinical Candidate, Mpro61.
Acs Bio Med Chem Au, 5, 2025
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9BOC
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9BNX
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9BO2
 | | Crystal Structure of A173V/L50F SARS-CoV-2 Main Protease in Complex with Compound Mpro61 | | Descriptor: | (5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione, 3C-like proteinase nsp5 | | Authors: | Papini, C, Kenneson, J, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2024-05-03 | | Release date: | 2025-02-12 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (M pro ) with Noncovalent Preclinical Candidate, Mpro61.
Acs Bio Med Chem Au, 5, 2025
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9BOA
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9BOB
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9BOD
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9BO3
 | | Crystal Structure of E166V SARS-CoV-2 Main Protease in Complex with Compound Mpro61 | | Descriptor: | (5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione, 3C-like proteinase nsp5 | | Authors: | Papini, C, Kenneson, J, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2024-05-03 | | Release date: | 2025-02-12 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (M pro ) with Noncovalent Preclinical Candidate, Mpro61.
Acs Bio Med Chem Au, 5, 2025
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9BNZ
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