8DJJ
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![BU of 8djj by Molmil](/molmil-images/mine/8djj) | |
8DI3
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8DKK
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8DK8
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![BU of 8dk8 by Molmil](/molmil-images/mine/8dk8) | |
8DKH
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8DKL
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8DKJ
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7SMV
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![BU of 7smv by Molmil](/molmil-images/mine/7smv) | Crystallization of feline coronavirus Mpro with GC376 reveals mechanism of inhibition | Descriptor: | 3C-like proteinase, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J. | Deposit date: | 2021-10-26 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystallization of Feline Coronavirus M pro With GC376 Reveals Mechanism of Inhibition. Front Chem, 10, 2022
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7SNA
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![BU of 7sna by Molmil](/molmil-images/mine/7sna) | Crystallization of feline coronavirus Mpro with GC376 reveals mechanism of inhibition | Descriptor: | 3C-like proteinase, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J. | Deposit date: | 2021-10-27 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystallization of Feline Coronavirus M pro With GC376 Reveals Mechanism of Inhibition. Front Chem, 10, 2022
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8DKZ
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8DMN
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8EJ9
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![BU of 8ej9 by Molmil](/molmil-images/mine/8ej9) | |
8EJ7
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![BU of 8ej7 by Molmil](/molmil-images/mine/8ej7) | |
7U6M
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1S60
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![BU of 1s60 by Molmil](/molmil-images/mine/1s60) | Aminoglycoside N-Acetyltransferase AAC(6')-Iy in Complex with CoA and N-terminal His(6)-tag (crystal form 2) | Descriptor: | COENZYME A, SULFATE ION, aminoglycoside 6'-N-acetyltransferase | Authors: | Vetting, M.W, Magnet, S, Nieves, E, Roderick, S.L, Blanchard, J.S. | Deposit date: | 2004-01-22 | Release date: | 2004-05-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A bacterial acetyltransferase capable of regioselective N-acetylation of antibiotics and histones Chem.Biol., 11, 2004
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7LCO
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![BU of 7lco by Molmil](/molmil-images/mine/7lco) | Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability | Descriptor: | (3-fluorophenyl)methyl [(2S)-3-cyclopropyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]carbamate, 3C-like proteinase | Authors: | Khan, M.B, Lu, J, Arutyunova, E, Young, H.S, Lemieux, M.J. | Deposit date: | 2021-01-11 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Improved SARS-CoV-2 M pro inhibitors based on feline antiviral drug GC376: Structural enhancements, increased solubility, and micellar studies. Eur.J.Med.Chem., 222, 2021
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7LCS
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![BU of 7lcs by Molmil](/molmil-images/mine/7lcs) | Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability | Descriptor: | 3C-like proteinase, benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate | Authors: | Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J. | Deposit date: | 2021-01-11 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Improved SARS-CoV-2 M pro inhibitors based on feline antiviral drug GC376: Structural enhancements, increased solubility, and micellar studies. Eur.J.Med.Chem., 222, 2021
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7LCT
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![BU of 7lct by Molmil](/molmil-images/mine/7lct) | Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability | Descriptor: | 3C-like proteinase, N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[(1S)-1-phenylethoxy]carbonyl}-L-leucinamide | Authors: | Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J. | Deposit date: | 2021-01-11 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Improved SARS-CoV-2 M pro inhibitors based on feline antiviral drug GC376: Structural enhancements, increased solubility, and micellar studies. Eur.J.Med.Chem., 222, 2021
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7LDL
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![BU of 7ldl by Molmil](/molmil-images/mine/7ldl) | Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability | Descriptor: | 3C-like proteinase, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Authors: | Khan, M.B, Lu, J, Arutyunova, E, Young, H.S, Lemieux, M.J. | Deposit date: | 2021-01-13 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Improved SARS-CoV-2 M pro inhibitors based on feline antiviral drug GC376: Structural enhancements, increased solubility, and micellar studies. Eur.J.Med.Chem., 222, 2021
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1S5K
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![BU of 1s5k by Molmil](/molmil-images/mine/1s5k) | Aminoglycoside N-Acetyltransferase AAC(6')-Iy in Complex with CoA and N-terminal His(6)-tag (crystal form 1) | Descriptor: | COENZYME A, SULFATE ION, aminoglycoside 6'-N-acetyltransferase | Authors: | Vetting, M.W, Magnet, S, Nieves, E, Roderick, S.L, Blanchard, J.S. | Deposit date: | 2004-01-21 | Release date: | 2004-05-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A bacterial acetyltransferase capable of regioselective N-acetylation of antibiotics and histones Chem.Biol., 11, 2004
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1S3Z
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![BU of 1s3z by Molmil](/molmil-images/mine/1s3z) | Aminoglycoside N-Acetyltransferase AAC(6')-Iy in Complex with CoA and Ribostamycin | Descriptor: | COENZYME A, NICKEL (II) ION, RIBOSTAMYCIN, ... | Authors: | Vetting, M.W, Magnet, S, Nieves, E, Roderick, S.L, Blachard, J.S. | Deposit date: | 2004-01-14 | Release date: | 2004-05-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A bacterial acetyltransferase capable of regioselective N-acetylation of antibiotics and histones Chem.Biol., 11, 2004
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7MBI
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![BU of 7mbi by Molmil](/molmil-images/mine/7mbi) | Structure of SARS-CoV2 3CL protease covalently bound to peptidomimetic inhibitor | Descriptor: | 2,4,6-trimethylpyridine-3-carboxylic acid, 3C-like proteinase, 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide | Authors: | Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J. | Deposit date: | 2021-03-31 | Release date: | 2021-07-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Peptidomimetic alpha-Acyloxymethylketone Warheads with Six-Membered Lactam P1 Glutamine Mimic: SARS-CoV-2 3CL Protease Inhibition, Coronavirus Antiviral Activity, and in Vitro Biological Stability. J.Med.Chem., 65, 2022
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7LCR
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![BU of 7lcr by Molmil](/molmil-images/mine/7lcr) | Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability | Descriptor: | 3C-like proteinase, N~2~-{[(3-fluorophenyl)methoxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J. | Deposit date: | 2021-01-11 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Improved SARS-CoV-2 M pro inhibitors based on feline antiviral drug GC376: Structural enhancements, increased solubility, and micellar studies. Eur.J.Med.Chem., 222, 2021
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7LCQ
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![BU of 7lcq by Molmil](/molmil-images/mine/7lcq) | N-terminal finger stabilizes feline drug GC376 in coronavirus 3CL protease | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J. | Deposit date: | 2021-01-11 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | N-Terminal Finger Stabilizes the S1 Pocket for the Reversible Feline Drug GC376 in the SARS-CoV-2 M pro Dimer. J.Mol.Biol., 433, 2021
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7LCP
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![BU of 7lcp by Molmil](/molmil-images/mine/7lcp) | N-terminal finger stabilizes feline drug GC376 in coronavirus 3CL protease | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, CALCIUM ION, ... | Authors: | Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J. | Deposit date: | 2021-01-11 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | N-Terminal Finger Stabilizes the S1 Pocket for the Reversible Feline Drug GC376 in the SARS-CoV-2 M pro Dimer. J.Mol.Biol., 433, 2021
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