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3UAQ
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BU of 3uaq by Molmil
Crystal Structure of the N-lobe Domain of Lactoferrin Binding Protein B (LbpB) of Moraxella bovis
分子名称: LbpB B-lobe
著者Arutyunova, E, Brooks, C.L, Beddeck, A, Mak, M.W, Schryvers, A.B, Lemieux, M.J.
登録日2011-10-21
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9318 Å)
主引用文献Crystal structure of the N-lobe of lactoferrin binding protein B from Moraxella bovis(1).
Biochem.Cell Biol., 90, 2012
8FTC
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BU of 8ftc by Molmil
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
7LCQ
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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
7LCP
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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
4U9C
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BU of 4u9c by Molmil
STRUCTURE OF THE LBPB N-LOBE FROM NEISSERIA MENINGITIDIS
分子名称: Lactoferrin-binding protein B
著者Brooks, C.L, Arutyunova, E, Lemieux, M.J.
登録日2014-08-05
公開日2014-10-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.995 Å)
主引用文献The structure of lactoferrin-binding protein B from Neisseria meningitidis suggests roles in iron acquisition and neutralization of host defences.
Acta Crystallogr.,Sect.F, 70, 2014
4HDD
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BU of 4hdd by Molmil
Domain swapping in the cytoplasmic domain of the Escherichia coli rhomboid protease
分子名称: ACETATE ION, Rhomboid protease GlpG
著者Lazareno-Saez, C, Arutyunova, E, Coquelle, N, Lemieux, M.J.
登録日2012-10-02
公開日2013-02-06
最終更新日2013-05-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Domain swapping in the cytoplasmic domain of the Escherichia coli rhomboid protease.
J.Mol.Biol., 425, 2013
6WTK
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Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication
分子名称: 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2020-05-03
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication.
Nat Commun, 11, 2020
6WTM
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Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication
分子名称: 3C-like proteinase
著者Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J.
登録日2020-05-03
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication.
Nat Commun, 11, 2020
6WTJ
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Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
著者Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J.
登録日2020-05-02
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication.
Nat Commun, 11, 2020
7LCO
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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
7LCS
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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
7LCT
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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
7LDL
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BU of 7ldl by Molmil
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
7LCR
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BU of 7lcr by Molmil
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
7R7H
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BU of 7r7h by Molmil
Peptidomimetic nitrile warheads as SARS-CoV-2 3CL protease inhibitors
分子名称: 3C-like proteinase, N-[(2S)-1-({(1E,2S)-1-imino-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, Young, H.S, Lemieux, M.J.
登録日2021-06-24
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Peptidomimetic nitrile warheads as SARS-CoV-2 3CL protease inhibitors.
Rsc Med Chem, 12, 2021
7SMV
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BU of 7smv by Molmil
Crystallization of feline coronavirus Mpro with GC376 reveals mechanism of inhibition
分子名称: 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, Lu, J, Young, H.S, Lemieux, M.J.
登録日2021-10-26
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystallization of Feline Coronavirus M pro With GC376 Reveals Mechanism of Inhibition.
Front Chem, 10, 2022
7SNA
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BU of 7sna by Molmil
Crystallization of feline coronavirus Mpro with GC376 reveals mechanism of inhibition
分子名称: 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, Lu, J, Young, H.S, Lemieux, M.J.
登録日2021-10-27
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystallization of Feline Coronavirus M pro With GC376 Reveals Mechanism of Inhibition.
Front Chem, 10, 2022
7MBI
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BU of 7mbi by Molmil
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
8DKZ
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BU of 8dkz by Molmil
Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates
分子名称: 3C-like proteinase nsp5
著者Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J.
登録日2022-07-06
公開日2023-04-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals.
Acs Cent.Sci., 9, 2023
8DJJ
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BU of 8djj by Molmil
Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates
分子名称: 3C-like proteinase nsp5
著者Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J.
登録日2022-06-30
公開日2023-04-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals.
Acs Cent.Sci., 9, 2023
8DI3
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BU of 8di3 by Molmil
Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates
分子名称: 3C-like proteinase nsp5
著者Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J.
登録日2022-06-28
公開日2023-05-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals.
Acs Cent.Sci., 9, 2023
8DKK
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Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates
分子名称: 3C-like proteinase nsp5
著者Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J.
登録日2022-07-05
公開日2023-05-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals.
Acs Cent.Sci., 9, 2023
8DMN
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Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates
分子名称: 3C-like proteinase nsp5
著者Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J.
登録日2022-07-08
公開日2023-05-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals.
Acs Cent.Sci., 9, 2023
8DK8
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BU of 8dk8 by Molmil
Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates
分子名称: 3C-like proteinase nsp5
著者Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J.
登録日2022-07-04
公開日2023-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals.
Acs Cent.Sci., 9, 2023
8DKH
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BU of 8dkh by Molmil
Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates
分子名称: 3C-like proteinase nsp5
著者Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J.
登録日2022-07-05
公開日2023-05-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals.
Acs Cent.Sci., 9, 2023

 

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