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PDB: 17 件
8DSU
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BU of 8dsu by Molmil
Crystal Structure of SARS CoV-2 Mpro with Pfizer Intravenous Inhibitor PF-00835231
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Shaqra, A.M, Schiffer, C.A.
登録日2022-07-22
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses.
Viruses, 15, 2023
8E7N
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BU of 8e7n by Molmil
Crystal structure of beluga whale Gammacoronavirus SW1 Mpro with GC-376 captured in two conformational states
分子名称: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, GLYCEROL, ...
著者Shaqra, A.M, Schiffer, C.A.
登録日2022-08-24
公開日2023-03-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses.
Viruses, 15, 2023
8E7C
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BU of 8e7c by Molmil
Crystal Structure of Porcine Deltacoronavirus (HKU-15) Mpro with Pfizer Intravenous Inhibitor PF-00835231
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Main Protease, ...
著者Shaqra, A.M, Schiffer, C.A.
登録日2022-08-23
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses.
Viruses, 15, 2023
8E7T
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BU of 8e7t by Molmil
Crystal structure of Middle East respiratory syndrome coronavirus (MERS-CoV) 3CL protease inactive mutant C148A
分子名称: 3C-Like Protease, GLYCEROL, SODIUM ION
著者Shaqra, A.M, Zvornicanin, S.N, Schiffer, C.A.
登録日2022-08-24
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of Middle East respiratory syndrome coronavirus (MERS-CoV) 3CL protease inactive mutant C148A
To Be Published
8DT9
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BU of 8dt9 by Molmil
Crystal Structure of SARS CoV-2 Mpro mutant L141R with Pfizer Intravenous Inhibitor PF-00835231
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, ...
著者Shaqra, A.M, Schiffer, C.A.
登録日2022-07-25
公開日2024-02-07
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Contributions of Hyperactive Mutations in M pro from SARS-CoV-2 to Drug Resistance.
Acs Infect Dis., 10, 2024
8E5C
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BU of 8e5c by Molmil
Crystal Structure of SARS CoV-2 Mpro mutant L50F with Nirmatrelvir captured in two conformational states
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Shaqra, A.M, Schiffer, C.A.
登録日2022-08-20
公開日2024-02-07
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Contributions of Hyperactive Mutations in M pro from SARS-CoV-2 to Drug Resistance.
Acs Infect Dis., 10, 2024
8E4W
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BU of 8e4w by Molmil
Crystal Structure of SARS CoV-2 Mpro mutant N142P with Pfizer Intravenous Inhibitor PF-00835231
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Shaqra, A.M, Schiffer, C.A.
登録日2022-08-19
公開日2024-02-07
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Contributions of Hyperactive Mutations in M pro from SARS-CoV-2 to Drug Resistance.
Acs Infect Dis., 10, 2024
7TA4
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BU of 7ta4 by Molmil
Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 9/10
分子名称: 3C-like proteinase, Nonstructural protein 9/10
著者Shaqra, A.M, Schiffer, C.A.
登録日2021-12-20
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7T70
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BU of 7t70 by Molmil
Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 4/5
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Shaqra, A.M, Schiffer, C.A.
登録日2021-12-14
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7T8R
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BU of 7t8r by Molmil
Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 7/8
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase, GLYCEROL, ...
著者Shaqra, A.M, Schiffer, C.A.
登録日2021-12-16
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7TC4
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BU of 7tc4 by Molmil
Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 15/16
分子名称: 3C-like proteinase, GLYCEROL, Nonstructural protein 15/16
著者Shaqra, A.M, Schiffer, C.A.
登録日2021-12-22
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7T9Y
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BU of 7t9y by Molmil
Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 8/9
分子名称: 3C-like proteinase, GLYCEROL, Nonstructural protein 8/9
著者Shaqra, A.M, Schiffer, C.A.
登録日2021-12-20
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7TA7
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BU of 7ta7 by Molmil
Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 10/11
分子名称: 3C-like proteinase, GLYCEROL, Nonstructural protein 10/11
著者Shaqra, A.M, Schiffer, C.A.
登録日2021-12-20
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7TB2
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BU of 7tb2 by Molmil
Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 12/13
分子名称: 3C-like proteinase, Nonstructural protein 12/13
著者Shaqra, A.M, Schiffer, C.A.
登録日2021-12-21
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7TBT
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BU of 7tbt by Molmil
Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 13/14
分子名称: 3C-like proteinase, Nonstructural protein 13/14
著者Shaqra, A.M, Schiffer, C.A.
登録日2021-12-22
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7T8M
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BU of 7t8m by Molmil
Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 5/6
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Shaqra, A.M, Schiffer, C.A.
登録日2021-12-16
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
8FL5
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BU of 8fl5 by Molmil
Crystal Structure of Enterovirus 68 3C Protease inactive mutant C147A at 1.8 Angstroms.
分子名称: 3C Protease
著者Azzolino, V.N, Shaqra, A.M, Schiffer, C.A.
登録日2022-12-21
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Enterovirus 68 3C Protease inactive mutant C147A at 1.8 Angstroms.
To Be Published

223532

件を2024-08-07に公開中

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