5QIX
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![BU of 5qix by Molmil](/molmil-images/mine/5qix) | Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0103007 | 分子名称: | 1,2-ETHANEDIOL, N-(3-phenylprop-2-yn-1-yl)acetamide, UNKNOWN LIGAND, ... | 著者 | Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F. | 登録日 | 2018-08-10 | 公開日 | 2019-12-18 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Covalent fragment group deposition To Be Published
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5QIR
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![BU of 5qir by Molmil](/molmil-images/mine/5qir) | Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102305 | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(4-fluoro-3-methylphenyl)methyl]acetamide, ... | 著者 | Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F. | 登録日 | 2018-08-10 | 公開日 | 2019-12-18 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Covalent fragment group deposition To Be Published
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5QIS
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![BU of 5qis by Molmil](/molmil-images/mine/5qis) | Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102500 | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-(5-methyl-1,2-oxazol-3-yl)acetamide, ... | 著者 | Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F. | 登録日 | 2018-08-10 | 公開日 | 2019-12-18 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Covalent fragment group deposition To Be Published
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5QIP
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![BU of 5qip by Molmil](/molmil-images/mine/5qip) | Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102153 | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ubiquitin thioesterase OTUB2, ... | 著者 | Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F. | 登録日 | 2018-08-10 | 公開日 | 2019-12-18 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Covalent fragment group deposition To Be Published
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5QIV
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![BU of 5qiv by Molmil](/molmil-images/mine/5qiv) | Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102998 | 分子名称: | 1,2-ETHANEDIOL, N'-acetyl-2-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetohydrazide, UNKNOWN LIGAND, ... | 著者 | Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F. | 登録日 | 2018-08-10 | 公開日 | 2019-12-18 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Covalent fragment group deposition To Be Published
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5QIQ
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![BU of 5qiq by Molmil](/molmil-images/mine/5qiq) | Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0103050 | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(4-bromothiophen-2-yl)methyl]acetamide, ... | 著者 | Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F. | 登録日 | 2018-08-10 | 公開日 | 2019-12-18 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Covalent fragment group deposition To Be Published
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5RGT
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![BU of 5rgt by Molmil](/molmil-images/mine/5rgt) | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4439011607 (Mpro-x2540) | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)propanamide | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-05-15 | 公開日 | 2020-05-27 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen To Be Published
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5RH7
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![BU of 5rh7 by Molmil](/molmil-images/mine/5rh7) | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4439011584 (Mpro-x2705) | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-05-15 | 公開日 | 2020-05-27 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen To Be Published
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5RH9
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![BU of 5rh9 by Molmil](/molmil-images/mine/5rh9) | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4438424255 (Mpro-x2776) | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-{4-[(1S)-1-methoxyethyl]phenyl}-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-05-15 | 公開日 | 2020-05-27 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen To Be Published
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5RHA
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![BU of 5rha by Molmil](/molmil-images/mine/5rha) | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z147647874 (Mpro-x2779) | 分子名称: | 1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-05-15 | 公開日 | 2020-05-27 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen To Be Published
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5RH5
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![BU of 5rh5 by Molmil](/molmil-images/mine/5rh5) | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4439011520 (Mpro-x2694) | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-05-15 | 公開日 | 2020-05-27 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen To Be Published
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5RH4
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![BU of 5rh4 by Molmil](/molmil-images/mine/5rh4) | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1530425063 (Mpro-x2659) | 分子名称: | (2R)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-05-15 | 公開日 | 2020-05-27 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen To Be Published
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5RGW
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![BU of 5rgw by Molmil](/molmil-images/mine/5rgw) | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4444621910 (Mpro-x2569) | 分子名称: | 2-(5-cyanopyridin-3-yl)-N-(pyridin-3-yl)acetamide, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-05-15 | 公開日 | 2020-05-27 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen To Be Published
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5R8T
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![BU of 5r8t by Molmil](/molmil-images/mine/5r8t) | PanDDA analysis group deposition of ground-state model of SARS-CoV-2 main protease screened against DSI poised (Enamine), Fraglites and Peplites (Newcastle university), Mini Frags (Astex), York 3D (York university), electrophile cysteine covalent (Weizman institute) fragment libraries | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-03-03 | 公開日 | 2020-04-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | PanDDA analysis group deposition of ground-state model of SARS-CoV-2 main protease fragment screening To Be Published
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5RGU
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![BU of 5rgu by Molmil](/molmil-images/mine/5rgu) | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4444622180 (Mpro-x2562) | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-05-15 | 公開日 | 2020-05-27 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.108 Å) | 主引用文献 | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen To Be Published
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5RH0
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![BU of 5rh0 by Molmil](/molmil-images/mine/5rh0) | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1286870272 (Mpro-x2608) | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(5-methylthiophen-2-yl)-N'-pyridin-3-ylurea | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-05-15 | 公開日 | 2020-05-27 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.916 Å) | 主引用文献 | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen To Be Published
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5RH3
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![BU of 5rh3 by Molmil](/molmil-images/mine/5rh3) | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1264525706 (Mpro-x2649) | 分子名称: | (2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-05-15 | 公開日 | 2020-05-27 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen To Be Published
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5QIY
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![BU of 5qiy by Molmil](/molmil-images/mine/5qiy) | Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102954 | 分子名称: | N'-acetyl-2-chlorobenzohydrazide, UNKNOWN LIGAND, Ubiquitin thioesterase OTUB2 | 著者 | Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F. | 登録日 | 2018-08-10 | 公開日 | 2019-12-18 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Covalent fragment group deposition To Be Published
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5QIZ
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![BU of 5qiz by Molmil](/molmil-images/mine/5qiz) | Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0103080 | 分子名称: | N-[(5-chlorothiophen-2-yl)methyl]acetamide, UNKNOWN LIGAND, Ubiquitin thioesterase OTUB2 | 著者 | Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F. | 登録日 | 2018-08-10 | 公開日 | 2019-12-18 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Covalent fragment group deposition To Be Published
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5QIO
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![BU of 5qio by Molmil](/molmil-images/mine/5qio) | Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with P11 | 分子名称: | (1S,2S)-N'-(chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide, UNKNOWN LIGAND, Ubiquitin thioesterase OTUB2 | 著者 | Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F. | 登録日 | 2018-08-10 | 公開日 | 2019-12-18 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Covalent fragment group deposition To Be Published
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