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PDB: 1657 件
8HOZ
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Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro) in Complex with Nirmatrelvir
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
著者Lin, M, Liu, X.
登録日2022-12-11
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro) in Complex with Nirmatrelvir
To Be Published
8HOM
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BU of 8hom by Molmil
Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro) in Complex with Ensitrelvir
分子名称: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
著者Lin, M, Liu, X.
登録日2022-12-10
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro) in Complex with Ensitrelvir
To Be Published
8HOL
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BU of 8hol by Molmil
Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro)
分子名称: 3C-like proteinase nsp5
著者Lin, M, Liu, X.
登録日2022-12-10
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro)
To Be Published
8HQG
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BU of 8hqg by Molmil
Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with inhibitor YH-53
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Wang, J, Zhang, J, Li, J.
登録日2022-12-13
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with inhibitor YH-53
To Be Published
8HQJ
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BU of 8hqj by Molmil
Crystal structure of SARS-Cov-2 main protease Y54C mutant in complex with inhibitor YH-53
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Zhou, X.L, Zhang, J, Li, J.
登録日2022-12-13
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease Y54C mutant in complex with inhibitor YH-53
To Be Published
8HQH
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BU of 8hqh by Molmil
Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with inhibitor YH-53
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Zou, X.F, Zhang, J, Li, J.
登録日2022-12-13
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with inhibitor YH-53
To Be Published
8HQI
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BU of 8hqi by Molmil
Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with inhibitor YH-53
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Li, W.W, Zhang, J, Li, J.
登録日2022-12-13
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with inhibitor YH-53
To Be Published
8HVK
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Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF07321332
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
著者Zeng, P, Zhang, J, Li, J.
登録日2022-12-27
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF07321332
To Be Published
8HVO
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Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF07321332
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
著者Zou, X.F, Zhang, J, Li, J.
登録日2022-12-27
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF07321332
To Be Published
8HVM
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Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with PF07321332
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
著者Wang, J, Zhang, J, Li, J.
登録日2022-12-27
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with PF07321332
To Be Published
8HVN
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BU of 8hvn by Molmil
Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with PF07321332
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
著者Li, W.W, Zhang, J, Li, J.
登録日2022-12-27
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with PF07321332
To Be Published
8HVL
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BU of 8hvl by Molmil
Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF07321332
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
著者Zou, X.F, Zhang, J, Li, J.
登録日2022-12-27
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF07321332
To Be Published
8HVU
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BU of 8hvu by Molmil
Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF07304814
分子名称: 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
著者Zeng, P, Zhang, J, Li, J.
登録日2022-12-28
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
8HVX
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BU of 8hvx by Molmil
Crystal structure of SARS-Cov-2 main protease Y54C mutant in complex with PF07304814
分子名称: 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
著者Zhou, X.L, Zhang, J, Li, J.
登録日2022-12-28
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
8HVW
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BU of 8hvw by Molmil
Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF07304814
分子名称: 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
著者Zou, X.F, Zhang, J, Li, J.
登録日2022-12-28
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
8HVY
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BU of 8hvy by Molmil
Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with PF07304814
分子名称: 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
著者Wang, J, Zhang, J, Li, J.
登録日2022-12-28
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
8HVV
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BU of 8hvv by Molmil
Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF07304814
分子名称: 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
著者Zeng, X.Y, Zhang, J, Li, J.
登録日2022-12-28
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
8HQF
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BU of 8hqf by Molmil
Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with inhibitor YH-53
分子名称: N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, Non-structural protein 7
著者Zeng, P, Zhang, J, Li, J.
登録日2022-12-13
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with inhibitor YH-53
To Be Published
8INU
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BU of 8inu by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) G15S Mutant in Complex with Inhibitor nirmatrelvir
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
著者Lin, M, Liu, X.
登録日2023-03-10
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Crystal Structure of SARS-CoV-2 Main Protease (Mpro) G15S Mutant
To Be Published
8IGO
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BU of 8igo by Molmil
Crystal structure of apo SARS-CoV-2 main protease
分子名称: 3C-like proteinase nsp5
著者Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
登録日2023-02-21
公開日2023-04-05
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
8IGN
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BU of 8ign by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with RAY1216
分子名称: (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5
著者Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
登録日2023-02-21
公開日2023-04-05
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
8F2C
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SARS-CoV-2 Main Protease (Mpro) in Complex with ML3006a
分子名称: (1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-1-yl)butan-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Westberg, M, Fernandez, D, Lin, M.Z.
登録日2022-11-07
公開日2023-10-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
8F02
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SARS-CoV-2 Main Protease (Mpro) in Complex with ML2006a4
分子名称: (1R,2S,5S)-N-{(2S,3R)-4-(3,3-dimethylazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Westberg, M, Fernandez, D, Lin, M.Z.
登録日2022-11-01
公開日2023-10-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
8EOY
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37
分子名称: 3C-like proteinase, benzyl {(2S)-1-[2-(3-amino-3-oxopropyl)-2-(chloroacetyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl}carbamate (non-preferred name)
著者Yang, K.S, Liu, W.R.
登録日2022-10-04
公開日2023-10-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structure of the SARS-CoV-2 main protease in complex with inhibitors
To Be Published
8EZV
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SARS-CoV-2 Main Protease (Mpro) in Complex with ML2006a
分子名称: (1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Westberg, M, Fernandez, D, Lin, M.Z.
登録日2022-11-01
公開日2023-10-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024

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件を2024-06-12に公開中

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