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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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BU of 7lcs 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, 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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BU of 7lct 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-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
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
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
8DKK
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BU of 8dkk 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 (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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BU of 8dmn 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2022-07-08
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
8DKJ
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BU of 8dkj 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 (2.11 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
8DKL
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BU of 8dkl 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 (1.9 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
8EJ9
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BU of 8ej9 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2022-09-16
公開日2023-04-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 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
7F4Y
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BU of 7f4y by Molmil
Crystal structure of replisomal dimer of DNA polymerase from bacteriophage RB69 with DNA duplexes
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*AP*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*C)-3'), ...
著者Youn, H.-S, Park, J, An, J.Y, Lee, Y, Eom, S.H, Wang, J.
登録日2021-06-21
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of New Binary and Ternary DNA Polymerase Complexes From Bacteriophage RB69.
Front Mol Biosci, 8, 2021
4XSJ
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BU of 4xsj by Molmil
Crystal structure of the N-terminal domain of the human mitochondrial calcium uniporter fused with T4 lysozyme
分子名称: Lysozyme,Calcium uniporter protein, mitochondrial, SULFATE ION
著者Lee, Y, Min, C.K, Kim, T.G, Song, H.K, Lim, Y, Kim, D, Shin, K, Kang, M, Kang, J.Y, Youn, H.-S, Lee, J.-G, An, J.Y, Park, K.R, Lim, J.J, Kim, J.H, Kim, J.H, Park, Z.Y, Kim, Y.-S, Wang, J, Kim, D.H, Eom, S.H.
登録日2015-01-22
公開日2015-09-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and function of the N-terminal domain of the human mitochondrial calcium uniporter.
Embo Rep., 16, 2015
4XTB
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BU of 4xtb by Molmil
Crystal structure of the N-terminal domain of the human mitochondrial calcium uniporter
分子名称: Calcium uniporter protein, mitochondrial, TETRAETHYLENE GLYCOL
著者Lee, Y, Min, C.K, Kim, T.G, Song, H.K, Lim, Y, Kim, D, Shin, K, Kang, M, Kang, J.Y, Youn, H.-S, Lee, J.-G, An, J.Y, Park, K.R, Lim, J.J, Kim, J.H, Kim, J.H, Park, Z.Y, Kim, Y.-S, Wang, J, Kim, D.H, Eom, S.H.
登録日2015-01-23
公開日2015-09-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure and function of the N-terminal domain of the human mitochondrial calcium uniporter.
Embo Rep., 16, 2015
5BZ6
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BU of 5bz6 by Molmil
Crystal structure of the N-terminal domain single mutant (S92A) of the human mitochondrial calcium uniporter fused with T4 lysozyme
分子名称: Lysozyme,Calcium uniporter protein, mitochondrial, SULFATE ION
著者Lee, Y, Min, C.K, Kim, T.G, Song, H.K, Lim, Y, Kim, D, Shin, K, Kang, M, Kang, J.Y, Youn, H.-S, Lee, J.-G, An, J.Y, Park, K.R, Lim, J.J, Kim, J.H, Kim, J.H, Park, Z.Y, Kim, Y.-S, Wang, J, Kim, D.H, Eom, S.H.
登録日2015-06-11
公開日2015-09-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure and function of the N-terminal domain of the human mitochondrial calcium uniporter.
Embo Rep., 16, 2015
6IF1
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BU of 6if1 by Molmil
Crystal structure of Ube2K and K48-linked di-ubiquitin complex
分子名称: Ubiquitin, Ubiquitin-conjugating enzyme E2 K
著者Lee, J.-G, Youn, H.-S, Lee, Y, An, J.Y, Park, K.R, Kang, J.Y, Lim, J.J, Eom, S.H.
登録日2018-09-18
公開日2018-11-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.466 Å)
主引用文献Crystal structure of the Ube2K/E2-25K and K48-linked di-ubiquitin complex provides structural insight into the mechanism of K48-specific ubiquitin chain synthesis.
Biochem. Biophys. Res. Commun., 506, 2018
5GLF
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BU of 5glf by Molmil
Structural insights into the interaction of p97 N-terminal domain and SHP motif in Derlin-1 rhomboid pseudoprotease
分子名称: Derlin-1, Transitional endoplasmic reticulum ATPase
著者Lim, J.J, Lee, Y, Yoon, S.Y, Ly, T.T, Kang, J.Y, Youn, H.-S, An, J.Y, Lee, J.-G, Park, K.R, Kim, T.G, Yang, J.K, Jun, Y, Eom, S.H.
登録日2016-07-11
公開日2016-11-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural insights into the interaction of human p97 N-terminal domain and SHP motif in Derlin-1 rhomboid pseudoprotease.
FEBS Lett., 590, 2016
5EPP
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BU of 5epp by Molmil
Structural Insights into the Interaction of p97 N-terminus Domain and VBM Motif in Rhomboid Protease, RHBDL4
分子名称: Rhomboid-related protein 4, Transitional endoplasmic reticulum ATPase
著者Lim, J.J, Lee, Y, Ly, T.T, Kang, J.Y, Lee, J.-G, An, J.Y, Youn, H.-S, Park, K.R, Kim, T.G, Yang, J.K, Jun, Y, Eom, S.H.
登録日2015-11-12
公開日2016-09-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural insights into the interaction of p97 N-terminus domain and VBM in rhomboid protease, RHBDL4.
Biochem.J., 473, 2016
3KU7
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BU of 3ku7 by Molmil
Crystal structure of Helicobacter pylori MinE, a cell division topological specificity factor
分子名称: Cell division topological specificity factor
著者Kang, G.B, Song, H.E, Kim, M.K, Eom, S.H.
登録日2009-11-26
公開日2010-05-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of Helicobacter pylori MinE, a cell division topological specificity factor
Mol.Microbiol., 76, 2010
5H0P
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BU of 5h0p by Molmil
Crystal structure of EF-hand protein mutant
分子名称: CALCIUM ION, EF-hand domain-containing protein D2
著者Park, K.R, An, J.Y, Kang, J.Y, Lee, J.G, Youn, H.S, Lee, Y, Mun, S.A, Jun, C.D, Song, W.K, Eom, S.H.
登録日2016-10-06
公開日2017-09-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.862 Å)
主引用文献Structural mechanism underlying regulation of human EFhd2/Swiprosin-1 actin-bundling activity by Ser183 phosphorylation.
Biochem. Biophys. Res. Commun., 483, 2017
9BPF
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BU of 9bpf by Molmil
Crystal structure of main protease of SARS-CoV-2 complexed with inhibitor
分子名称: 3C-like proteinase nsp5, N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide
著者Chen, P, Arutyunova, E, Lemieux, M.J.
登録日2024-05-07
公開日2024-08-07
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Structural Comparison of Oral SARS-CoV-2 Drug Candidate Ibuzatrelvir Complexed with the Main Protease (M pro ) of SARS-CoV-2 and MERS-CoV.
Jacs Au, 4, 2024

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件を2024-10-16に公開中

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