8SDH
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![BU of 8sdh by Molmil](/molmil-images/mine/8sdh) | |
8VQX
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9AUJ
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![BU of 9auj by Molmil](/molmil-images/mine/9auj) | Structure of SARS-CoV-2 Mpro mutant (S144A) in complex with Nirmatrelvir (PF-07321332) | 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: | Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | Deposit date: | 2024-02-29 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.486 Å) | Cite: | In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance. Sci Adv, 10, 2024
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9AUK
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![BU of 9auk by Molmil](/molmil-images/mine/9auk) | Structure of SARS-CoV-2 Mpro mutant (A173V) in complex with Nirmatrelvir (PF-07321332) | 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: | Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | Deposit date: | 2024-02-29 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance. Sci Adv, 10, 2024
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9AUL
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![BU of 9aul by Molmil](/molmil-images/mine/9aul) | Structure of SARS-CoV-2 Mpro mutant (A173V,T304I)) in complex with Nirmatrelvir (PF-07321332) | 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: | Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | Deposit date: | 2024-02-29 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.421 Å) | Cite: | In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance. Sci Adv, 10, 2024
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9AUM
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![BU of 9aum by Molmil](/molmil-images/mine/9aum) | Structure of SARS-CoV-2 Mpro mutant (T21I,S144A,T304I) in complex with Nirmatrelvir (PF-07321332) | 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: | Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | Deposit date: | 2024-02-29 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.539 Å) | Cite: | In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance. Sci Adv, 10, 2024
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9AUN
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![BU of 9aun by Molmil](/molmil-images/mine/9aun) | Structure of SARS-CoV-2 Mpro mutant (T21I,T304I) | Descriptor: | 3C-like proteinase nsp5 | Authors: | Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | Deposit date: | 2024-02-29 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance. Sci Adv, 10, 2024
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9AUO
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![BU of 9auo by Molmil](/molmil-images/mine/9auo) | Structure of SARS-CoV-2 Mpro mutant (L50F,T304I) | Descriptor: | 3C-like proteinase nsp5 | Authors: | Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | Deposit date: | 2024-02-29 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.423 Å) | Cite: | In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance. Sci Adv, 10, 2024
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9BPF
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![BU of 9bpf by Molmil](/molmil-images/mine/9bpf) | |
8KDM
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![BU of 8kdm by Molmil](/molmil-images/mine/8kdm) | |
8KDR
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![BU of 8kdr by Molmil](/molmil-images/mine/8kdr) | |
8KDS
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8KDT
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![BU of 8kdt by Molmil](/molmil-images/mine/8kdt) | |
8KEJ
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![BU of 8kej by Molmil](/molmil-images/mine/8kej) | |
8KEK
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![BU of 8kek by Molmil](/molmil-images/mine/8kek) | |
8KEO
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![BU of 8keo by Molmil](/molmil-images/mine/8keo) | |
8KEP
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![BU of 8kep by Molmil](/molmil-images/mine/8kep) | |
8KEQ
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![BU of 8keq by Molmil](/molmil-images/mine/8keq) | |
8KER
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![BU of 8ker by Molmil](/molmil-images/mine/8ker) | |
8TQH
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![BU of 8tqh by Molmil](/molmil-images/mine/8tqh) | MPI68 bound to Mpro of SARS-CoV-2 | Descriptor: | 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | Authors: | Blankenship, L.R, Liu, W.R. | Deposit date: | 2023-08-07 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | MPI68 bound to SARS-CoV-2 Mpro To Be Published
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8TQJ
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![BU of 8tqj by Molmil](/molmil-images/mine/8tqj) | MPI57 bound to Mpro of SARS-CoV-2 | Descriptor: | 3C-like proteinase nsp5, benzyl (1R,2S,5S)-2-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate | Authors: | Blankenship, L.R, Liu, W.R. | Deposit date: | 2023-08-07 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | MPI57 bound to SARS-CoV-2 Mpro To Be Published
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8TQL
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![BU of 8tql by Molmil](/molmil-images/mine/8tql) | MPI54 bound to Mpro of SARS-CoV-2 | Descriptor: | 3C-like proteinase nsp5, benzyl [(2S,3S)-3-tert-butoxy-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxobutan-2-yl]carbamate | Authors: | Blankenship, L.R, Liu, W.R. | Deposit date: | 2023-08-07 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | MPI54 bound to SARS-CoV-2 Mpro To Be Published
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8TQT
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![BU of 8tqt by Molmil](/molmil-images/mine/8tqt) | MPI52 bound to Mpro of SARS-CoV-2 | Descriptor: | (3-chlorophenyl)methyl [(2S)-3-cyclohexyl-1-({(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate, 3C-like proteinase nsp5 | Authors: | Blankenship, L.R, Liu, W.R. | Deposit date: | 2023-08-08 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | MPI52 bound to SARS-CoV-2 Mpro To Be Published
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8TQU
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8VDJ
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![BU of 8vdj by Molmil](/molmil-images/mine/8vdj) | Crystal structure of SARS-CoV-2 3CL protease (3CLpro) as a covalent complex with EDP-235 | Descriptor: | 3C-like proteinase nsp5, 4,6,7-trifluoro-N-{(2S)-1-[(3R,5'R)-5'-(iminomethyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-1'-yl]-4-methyl-1-oxopentan-2-yl}-N-methyl-1H-indole-2-carboxamide, THIOCYANATE ION | Authors: | Cade, I.A, Rhodin, M.H.J. | Deposit date: | 2023-12-15 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | The small molecule inhibitor of SARS-CoV-2 3CLpro EDP-235 prevents viral replication and transmission in vivo. Nat Commun, 15, 2024
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