8S9Z
 
 | | Mpro inhibitors of SARS-CoV-2 | | Descriptor: | 3C-like proteinase nsp5, Mpro inhibitor | | Authors: | Blankenship, L.R, Liu, W.R. | | Deposit date: | 2023-03-30 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of MPI89 with Mpro of SARS-CoV-2 at 1.85A resolution.
To Be Published
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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 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | MPI54 bound to SARS-CoV-2 Mpro
To Be Published
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8TQU
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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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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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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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8TY3
 | | MI-31 ligand bound to SARS-CoV-2 Mpro | | Descriptor: | (1S,3aR,6aS)-2-[(3,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase nsp5 | | Authors: | Blankenship, L.R, Liu, W.R. | | Deposit date: | 2023-08-24 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | MI-31 bound to SARS-CoV-2 Mpro
To Be Published
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8TY4
 | | MI-30 bound to Mpro of SARS-CoV-2 | | Descriptor: | (1S,3aR,6aS)-2-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase nsp5 | | Authors: | Blankenship, L.R, Liu, W.R. | | Deposit date: | 2023-08-24 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | MI-30 bound to SARS-CoV-2 Mpro
To Be Published
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8TY5
 | | MI-14 bound to Mpro of SARS-CoV-2 | | Descriptor: | (1R,2S,5S)-3-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Blankenship, L.R, Liu, W.R. | | Deposit date: | 2023-08-24 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | MI-14 bound to SARS-CoV-2 Mpro
To Be Published
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8U9U
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8U9H
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8U9M
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI95 | | Descriptor: | 3C-like proteinase nsp5, bis(4-fluorophenyl)methyl (1R,2S,5R)-2-({(2R)-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: | 2023-09-19 | | Release date: | 2024-09-25 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of the SARS-CoV-2 main protease in complex with inhibitors
To Be Published
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8U9T
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI97 | | Descriptor: | (1R,2S,5S)-N~3~,N~3~-bis(4-chlorophenyl)-N~2~-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarboxamide, 3C-like proteinase nsp5 | | Authors: | Blankenship, L.R, Liu, W.R. | | Deposit date: | 2023-09-20 | | Release date: | 2024-09-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure of the SARS-CoV-2 main protease in complex with inhibitors
To Be Published
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8U9V
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8U9K
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8U9N
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8U9W
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7SH7
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI87 | | Descriptor: | 3C-like proteinase nsp5, benzyl [(2S,3R)-3-tert-butoxy-1-{[(2S)-3-cyclohexyl-1-oxo-1-(2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-2-propanoylhydrazinyl)propan-2-yl]amino}-1-oxobutan-2-yl]carbamate (non-preferred name) | | Authors: | Blankenship, L.R, Yang, K.S, Liu, W.R. | | Deposit date: | 2021-10-08 | | Release date: | 2023-04-12 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | An Azapeptide Platform in Conjunction with Covalent Warheads to Uncover High-Potency Inhibitors for SARS-CoV-2 Main Protease.
Biorxiv, 2023
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7M2P
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8STY
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8STZ
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7JQ2
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI5 | | Descriptor: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide | | Authors: | Yang, K, Liu, W. | | Deposit date: | 2020-08-10 | | Release date: | 2020-12-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
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7JQ0
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI3 | | Descriptor: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | Authors: | Yang, K, Liu, W. | | Deposit date: | 2020-08-10 | | Release date: | 2020-12-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
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7JPY
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7JQ4
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI7 | | Descriptor: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide | | Authors: | Yang, K, Liu, W. | | Deposit date: | 2020-08-10 | | Release date: | 2020-12-23 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
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