8DKK
 
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8DK8
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8DKH
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8DKJ
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8DKL
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8DMN
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8EJ9
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8EJ7
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8FTC
 | | Crystal structure of main protease of SARS-CoV-2 complexed with inhibitor | | 分子名称: | (1R,2S,5S)-3-[N-(difluoroacetyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | 著者 | Chen, P, Khan, M.B, Lu, J, Arutyunova, E, Young, H.S, Lemieux, M.J. | | 登録日 | 2023-01-11 | | 公開日 | 2023-12-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The Effect of Deuteration and Homologation of the Lactam Ring of Nirmatrelvir on Its Biochemical Properties and Oxidative Metabolism.
Acs Bio Med Chem Au, 3, 2023
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1S60
 | | Aminoglycoside N-Acetyltransferase AAC(6')-Iy in Complex with CoA and N-terminal His(6)-tag (crystal form 2) | | 分子名称: | COENZYME A, SULFATE ION, aminoglycoside 6'-N-acetyltransferase | | 著者 | Vetting, M.W, Magnet, S, Nieves, E, Roderick, S.L, Blanchard, J.S. | | 登録日 | 2004-01-22 | | 公開日 | 2004-05-18 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | A bacterial acetyltransferase capable of regioselective N-acetylation of antibiotics and histones
Chem.Biol., 11, 2004
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1S5K
 | | Aminoglycoside N-Acetyltransferase AAC(6')-Iy in Complex with CoA and N-terminal His(6)-tag (crystal form 1) | | 分子名称: | COENZYME A, SULFATE ION, aminoglycoside 6'-N-acetyltransferase | | 著者 | Vetting, M.W, Magnet, S, Nieves, E, Roderick, S.L, Blanchard, J.S. | | 登録日 | 2004-01-21 | | 公開日 | 2004-05-18 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | A bacterial acetyltransferase capable of regioselective N-acetylation of antibiotics and histones
Chem.Biol., 11, 2004
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1S3Z
 | | Aminoglycoside N-Acetyltransferase AAC(6')-Iy in Complex with CoA and Ribostamycin | | 分子名称: | COENZYME A, NICKEL (II) ION, RIBOSTAMYCIN, ... | | 著者 | Vetting, M.W, Magnet, S, Nieves, E, Roderick, S.L, Blachard, J.S. | | 登録日 | 2004-01-14 | | 公開日 | 2004-05-18 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A bacterial acetyltransferase capable of regioselective N-acetylation of antibiotics and histones
Chem.Biol., 11, 2004
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7LCQ
 | | N-terminal finger stabilizes feline drug GC376 in coronavirus 3CL protease | | 分子名称: | 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 | | 著者 | Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J. | | 登録日 | 2021-01-11 | | 公開日 | 2021-05-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | 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
 | | N-terminal finger stabilizes feline drug GC376 in coronavirus 3CL protease | | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase, CALCIUM ION, ... | | 著者 | Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J. | | 登録日 | 2021-01-11 | | 公開日 | 2021-05-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | 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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7U6M
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7LCO
 | | Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability | | 分子名称: | (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 | | 著者 | Khan, M.B, Lu, J, Arutyunova, E, Young, H.S, Lemieux, M.J. | | 登録日 | 2021-01-11 | | 公開日 | 2021-07-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | 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
 | | Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability | | 分子名称: | 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 | | 著者 | Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J. | | 登録日 | 2021-01-11 | | 公開日 | 2021-07-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | 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
 | | Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability | | 分子名称: | 3C-like proteinase, N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[(1S)-1-phenylethoxy]carbonyl}-L-leucinamide | | 著者 | Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J. | | 登録日 | 2021-01-11 | | 公開日 | 2021-07-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | 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
 | | Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability | | 分子名称: | 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 | | 著者 | Khan, M.B, Lu, J, Arutyunova, E, Young, H.S, Lemieux, M.J. | | 登録日 | 2021-01-13 | | 公開日 | 2021-07-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 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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7MBI
 | | Structure of SARS-CoV2 3CL protease covalently bound to peptidomimetic inhibitor | | 分子名称: | 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 | | 著者 | Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J. | | 登録日 | 2021-03-31 | | 公開日 | 2021-07-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | 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
 | | Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability | | 分子名称: | 3C-like proteinase, N~2~-{[(3-fluorophenyl)methoxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | 著者 | Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J. | | 登録日 | 2021-01-11 | | 公開日 | 2022-12-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | 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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7Z4T
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7Z3W
 | | Crystal structure of the AAL160 Fab | | 分子名称: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, AAL160 Fab heavy-chain, AAL160 Fab light-chain | | 著者 | Rondeau, J.M, Lehmann, S. | | 登録日 | 2022-03-02 | | 公開日 | 2023-02-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | "Redirecting an anti-IL-1 beta antibody to bind a new, unrelated and computationally predicted epitope on hIL-17A".
Commun Biol, 6, 2023
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7Z2M
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7L7F
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