6E7H
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5JRZ
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5KQR
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![BU of 5kqr by Molmil](/molmil-images/mine/5kqr) | Structure of NS5 methyltransferase from Zika virus bound to S-adenosylmethionine | 分子名称: | CHLORIDE ION, Methyltransferase, PHOSPHATE ION, ... | 著者 | Jain, R, Coloma, J, Rajashankar, K.R, Aggarwal, A.K. | 登録日 | 2016-07-06 | 公開日 | 2016-09-14 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.331 Å) | 主引用文献 | Structures of NS5 Methyltransferase from Zika Virus. Cell Rep, 16, 2016
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5KQS
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![BU of 5kqs by Molmil](/molmil-images/mine/5kqs) | Structure of NS5 methyltransferase from Zika virus bound to S-adenosylmethionine and 7-methyl-guanosine-5'-diphosphate | 分子名称: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, ACETATE ION, GLYCEROL, ... | 著者 | Coloma, J, Jain, R, Rajashankar, K.R, Aggarwal, A.K. | 登録日 | 2016-07-06 | 公開日 | 2016-09-14 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structures of NS5 Methyltransferase from Zika Virus. Cell Rep, 16, 2016
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8DIC
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8DIF
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8DIB
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8DIH
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![BU of 8dih by Molmil](/molmil-images/mine/8dih) | Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors | 分子名称: | (1P,1'R)-1-(isoquinolin-4-yl)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione, 3C-like proteinase nsp5 | 著者 | Singh, I, Shoichet, B.K. | 登録日 | 2022-06-29 | 公開日 | 2023-06-28 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors. Protein Sci., 32, 2023
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8DIG
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8DIE
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8DII
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6E5U
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![BU of 6e5u by Molmil](/molmil-images/mine/6e5u) | |
3OA9
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![BU of 3oa9 by Molmil](/molmil-images/mine/3oa9) | Effector domain of influenza A/Duck/Albany/76 NS1 | 分子名称: | Non-structural protein 1 | 著者 | Kerry, P.S, Lewis, A, Hale, B.G, Hass, C, Taylor, M.A, Randall, R.E, Russell, R.J.M. | 登録日 | 2010-08-05 | 公開日 | 2011-05-11 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | A Transient Homotypic Interaction Model for the Influenza A Virus NS1 Protein Effector Domain. Plos One, 6, 2011
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3O9S
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![BU of 3o9s by Molmil](/molmil-images/mine/3o9s) | Effector domain of influenza A/PR/8/34 NS1 | 分子名称: | Nonstructural protein 1 | 著者 | Kerry, P.S, Lewis, A, Hale, B.G, Hass, C, Taylor, M.A, Randall, R.E, Russell, R.J.M. | 登録日 | 2010-08-04 | 公開日 | 2011-05-11 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | A Transient Homotypic Interaction Model for the Influenza A Virus NS1 Protein Effector Domain. Plos One, 6, 2011
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3O9R
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![BU of 3o9r by Molmil](/molmil-images/mine/3o9r) | Effector domain of NS1 from influenza A/PR/8/34 containing a W187A mutation | 分子名称: | Nonstructural protein 1 | 著者 | Kerry, P.S, Lewis, A, Hale, B.G, Hass, C, Taylor, M.A, Randall, R.E, Russell, R.J.M. | 登録日 | 2010-08-04 | 公開日 | 2011-05-11 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A Transient Homotypic Interaction Model for the Influenza A Virus NS1 Protein Effector Domain. Plos One, 6, 2011
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3O9T
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![BU of 3o9t by Molmil](/molmil-images/mine/3o9t) | Effector domain from influenza A/PR/8/34 NS1 | 分子名称: | HEXAETHYLENE GLYCOL, Nonstructural protein 1 | 著者 | Kerry, P.S, Lewis, A, Hale, B.G, Hass, C, Taylor, M.A, Randall, R.E, Russell, R.J.M. | 登録日 | 2010-08-04 | 公開日 | 2011-05-11 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | A Transient Homotypic Interaction Model for the Influenza A Virus NS1 Protein Effector Domain. Plos One, 6, 2011
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3O9U
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![BU of 3o9u by Molmil](/molmil-images/mine/3o9u) | Effector domain of influenza A/PR/8/34 NS1 | 分子名称: | Nonstructural protein 1 | 著者 | Kerry, P.S, Lewis, A, Hale, B.G, Hass, C, Taylor, M.A, Randall, R.E, Russell, R.J.M. | 登録日 | 2010-08-04 | 公開日 | 2011-05-11 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | A Transient Homotypic Interaction Model for the Influenza A Virus NS1 Protein Effector Domain. Plos One, 6, 2011
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3O9Q
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![BU of 3o9q by Molmil](/molmil-images/mine/3o9q) | Effector domain of NS1 from A/PR/8/34 containing a W187A mutation | 分子名称: | Nonstructural protein 1 | 著者 | Kerry, P.S, Lewis, A, Hale, B.G, Hass, C, Taylor, M.A, Randall, R.E, Russell, R.J.M. | 登録日 | 2010-08-04 | 公開日 | 2011-05-18 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A Transient Homotypic Interaction Model for the Influenza A Virus NS1 Protein Effector Domain. Plos One, 6, 2011
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7GB8
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![BU of 7gb8 by Molmil](/molmil-images/mine/7gb8) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with JAN-GHE-83b26c96-14 (Mpro-x10247) | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(4-methylpyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide | 著者 | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-11 | 公開日 | 2023-11-08 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.957 Å) | 主引用文献 | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GBA
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![BU of 7gba by Molmil](/molmil-images/mine/7gba) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ANT-OPE-d972fbad-1 (Mpro-x10296) | 分子名称: | 1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}propan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-11 | 公開日 | 2023-11-08 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.699 Å) | 主引用文献 | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GBK
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![BU of 7gbk by Molmil](/molmil-images/mine/7gbk) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ALP-POS-95b75b4d-2 (Mpro-x10359) | 分子名称: | 2-(3-hydroxyphenyl)-N-(4-methylpyridin-3-yl)acetamide, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-11 | 公開日 | 2023-11-08 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GBY
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![BU of 7gby by Molmil](/molmil-images/mine/7gby) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-590ac91e-5 (Mpro-x10473) | 分子名称: | (2R)-3-cyclopropyl-2-methyl-N-(4-methylpyridin-3-yl)propanamide, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-11 | 公開日 | 2023-11-08 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.608 Å) | 主引用文献 | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GBJ
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![BU of 7gbj by Molmil](/molmil-images/mine/7gbj) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-590ac91e-32 (Mpro-x10355) | 分子名称: | 3C-like proteinase, 7-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-11 | 公開日 | 2023-11-08 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.549 Å) | 主引用文献 | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GCB
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![BU of 7gcb by Molmil](/molmil-images/mine/7gcb) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with JAN-GHE-83b26c96-13 (Mpro-x10565) | 分子名称: | 2-(3-iodophenyl)-N-(4-methylpyridin-3-yl)acetamide, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-11 | 公開日 | 2023-11-08 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.608 Å) | 主引用文献 | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GC0
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![BU of 7gc0 by Molmil](/molmil-images/mine/7gc0) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-590ac91e-21 (Mpro-x10476) | 分子名称: | (5R)-N-(4-methylpyridin-3-yl)spiro[2.4]heptane-5-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-11 | 公開日 | 2023-11-08 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.579 Å) | 主引用文献 | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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