7GRS
 
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-15 | | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, SODIUM ION, ... | | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | | 登録日 | 2023-11-14 | | 公開日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
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7GRT
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-16 | | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]benzamide, ... | | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | | 登録日 | 2023-11-14 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
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7GRU
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-17 | | 分子名称: | 3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-amine, 3C-like proteinase nsp5, CHLORIDE ION, ... | | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | | 登録日 | 2023-11-14 | | 公開日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
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7GRV
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-18 | | 分子名称: | (2S)-2-(2-fluorophenyl)-1,3-thiazolidin-4-one, 3C-like proteinase nsp5, CHLORIDE ION, ... | | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | | 登録日 | 2023-11-14 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
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7GRW
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-19 | | 分子名称: | (2S)-N-(3,5-dichlorophenyl)-2-hydroxypropanamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | | 登録日 | 2023-11-14 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
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7GRX
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-20 | | 分子名称: | 1-(2,4-difluorophenyl)pyrrolidine-2,5-dione, 3C-like proteinase nsp5, CHLORIDE ION, ... | | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | | 登録日 | 2023-11-14 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
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7GRY
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-21 | | 分子名称: | 1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione, 3C-like proteinase nsp5, CHLORIDE ION, ... | | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | | 登録日 | 2023-11-14 | | 公開日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
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7GRZ
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-22 | | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N,N-dimethyl-2-[(naphthalen-2-yl)oxy]acetamide, ... | | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | | 登録日 | 2023-11-14 | | 公開日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
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7GS0
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-23 | | 分子名称: | (pyridin-2-yl)(quinolin-2-yl)methanone, 3C-like proteinase nsp5, CHLORIDE ION, ... | | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | | 登録日 | 2023-11-14 | | 公開日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
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7GS1
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-24 | | 分子名称: | 2-cyano-~{N}-cyclohexyl-ethanamide, 3C-like proteinase nsp5, CHLORIDE ION, ... | | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | | 登録日 | 2023-11-14 | | 公開日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
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7GS2
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-25 | | 分子名称: | 3-(pyridin-3-yl)benzoic acid, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | | 登録日 | 2023-11-14 | | 公開日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
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7GS3
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-26 | | 分子名称: | (6-phenylpyridin-3-yl)methanamine, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | | 登録日 | 2023-11-14 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
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7GS4
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-27 | | 分子名称: | 3C-like proteinase nsp5, 7-(hydroxymethyl)-3-methyl-6~{H}-[1,3]thiazolo[3,2-a]pyrimidin-5-one, CHLORIDE ION, ... | | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | | 登録日 | 2023-11-14 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
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7GS5
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-28 | | 分子名称: | (3R)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | | 登録日 | 2023-11-14 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
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7GS6
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-29 | | 分子名称: | (3S)-4,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | | 登録日 | 2023-11-14 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
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8RV4
 | | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 2 | | 分子名称: | 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-2-phenyl-benzoic acid, ... | | 著者 | Kalnins, G. | | 登録日 | 2024-01-31 | | 公開日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 2
To Be Published
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8RV5
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8RV6
 | | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 2 | | 分子名称: | 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-(4-hydroxyphenyl)benzoic acid, ... | | 著者 | Kalnins, G. | | 登録日 | 2024-01-31 | | 公開日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 3
To Be Published
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8RV7
 | | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 4 | | 分子名称: | 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-(3-oxidanylprop-1-ynyl)benzoic acid, ... | | 著者 | Kalnins, G. | | 登録日 | 2024-01-31 | | 公開日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 4
To Be Published
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8RV8
 | | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 5 | | 分子名称: | 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]-2-chloranyl-benzoic acid, ... | | 著者 | Kalnins, G. | | 登録日 | 2024-01-31 | | 公開日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 5
To Be Published
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8RV9
 | | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 6 | | 分子名称: | 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-2-chloranyl-benzoic acid, ... | | 著者 | Kalnins, G. | | 登録日 | 2024-01-31 | | 公開日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 6
To Be Published
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8RVA
 | | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 7 | | 分子名称: | 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]benzoic acid, ... | | 著者 | Kalnins, G. | | 登録日 | 2024-01-31 | | 公開日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 7
To Be Published
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8RVB
 | | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 8 | | 分子名称: | (2~{R},3~{R},4~{S},5~{S})-2-(6-aminopurin-9-yl)-5-[2-(1~{H}-1,2,3-triazol-4-yl)ethylsulfanylmethyl]oxolane-3,4-diol, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | 著者 | Kalnins, G. | | 登録日 | 2024-01-31 | | 公開日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 8
To Be Published
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8UIA
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8UIF
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