5RL0
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![BU of 5rl0 by Molmil](/molmil-images/mine/5rl0) | PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-2 (Mpro-x3110) | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ethyl N-[(2R)-2-[(4-tert-butylphenyl)(propanoyl)amino]-2-(pyridin-3-yl)acetyl]-beta-alaninate | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Zaidman, D, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Gorrie-Stone, T.J, Skyner, R, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-08-05 | 公開日 | 2020-12-02 | 最終更新日 | 2021-07-07 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors To Be Published
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7GQ4
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![BU of 7gq4 by Molmil](/molmil-images/mine/7gq4) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z56761437 | 分子名称: | 5-methyl-1H-tetrazole, Protease 3C | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GQO
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![BU of 7gqo by Molmil](/molmil-images/mine/7gqo) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z3227118860 | 分子名称: | 5-iodo-1H-pyrazole, Protease 3C | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GPF
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![BU of 7gpf by Molmil](/molmil-images/mine/7gpf) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z760048004 | 分子名称: | DIMETHYL SULFOXIDE, N-(6-methylpyridin-2-yl)-D-prolinamide, Protease 3C | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GO4
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![BU of 7go4 by Molmil](/molmil-images/mine/7go4) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1198233191 | 分子名称: | (4S)-imidazo[1,2-a]pyrimidine-5,7-diol, Protease 3C | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GPL
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![BU of 7gpl by Molmil](/molmil-images/mine/7gpl) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z975817026 | 分子名称: | DIMETHYL SULFOXIDE, Protease 3C, ethyl 1~{H}-pyrazole-4-carboxylate | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GOO
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![BU of 7goo by Molmil](/molmil-images/mine/7goo) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1980894300 | 分子名称: | Protease 3C, [4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanol | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GPQ
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![BU of 7gpq by Molmil](/molmil-images/mine/7gpq) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with POB0008 | 分子名称: | Protease 3C, methyl 1-(methanesulfonyl)-2-methyl-D-prolinate | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GPU
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![BU of 7gpu by Molmil](/molmil-images/mine/7gpu) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with POB0122 | 分子名称: | 1-[(3R,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethan-1-one, DIMETHYL SULFOXIDE, Protease 3C | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GPT
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![BU of 7gpt by Molmil](/molmil-images/mine/7gpt) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with POB0026 | 分子名称: | DIMETHYL SULFOXIDE, Protease 3C, [(2S,3S)-1-(methanesulfonyl)-3-methylpiperidin-2-yl]methanol | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GQF
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![BU of 7gqf by Molmil](/molmil-images/mine/7gqf) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z362020366 | 分子名称: | DIMETHYL SULFOXIDE, Protease 3C, [1,2,4]triazolo[4,3-a]pyridin-3-amine | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GPW
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![BU of 7gpw by Molmil](/molmil-images/mine/7gpw) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with NCL-00023824 | 分子名称: | 4-iodanyl-3~{H}-pyridin-2-one, DIMETHYL SULFOXIDE, Protease 3C | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GP0
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![BU of 7gp0 by Molmil](/molmil-images/mine/7gp0) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z385450668 | 分子名称: | 2-(difluoromethoxy)benzene-1-sulfonamide, Protease 3C | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GPY
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![BU of 7gpy by Molmil](/molmil-images/mine/7gpy) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with NCL-00024667 | 分子名称: | 4-bromanyl-2-oxidanyl-benzoic acid, DIMETHYL SULFOXIDE, Protease 3C | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GPM
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![BU of 7gpm by Molmil](/molmil-images/mine/7gpm) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z979742720 | 分子名称: | 5-(propan-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole, DIMETHYL SULFOXIDE, Protease 3C | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GQ2
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![BU of 7gq2 by Molmil](/molmil-images/mine/7gq2) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1954800348 | 分子名称: | 1,4,5,6-tetrahydropyrimidin-2-amine, DIMETHYL SULFOXIDE, Protease 3C | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GQ0
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![BU of 7gq0 by Molmil](/molmil-images/mine/7gq0) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with NCL-00025345 | 分子名称: | 2-acetamido-N-(3-bromanylprop-2-ynyl)ethanamide, Protease 3C | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GQ3
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![BU of 7gq3 by Molmil](/molmil-images/mine/7gq3) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z241119328 | 分子名称: | 1H-pyrazol-5-amine, DIMETHYL SULFOXIDE, Protease 3C | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GQB
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![BU of 7gqb by Molmil](/molmil-images/mine/7gqb) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z44548882 | 分子名称: | 1,1-diphenylmethanamine, DIMETHYL SULFOXIDE, Protease 3C | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GQR
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![BU of 7gqr by Molmil](/molmil-images/mine/7gqr) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z235343929 | 分子名称: | 2-chloro-1,3-benzoxazole, Protease 3C | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GQ6
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![BU of 7gq6 by Molmil](/molmil-images/mine/7gq6) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z425338146 | 分子名称: | 1-[4-(methylsulfonyl)phenyl]piperazine, DIMETHYL SULFOXIDE, Protease 3C | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GP8
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![BU of 7gp8 by Molmil](/molmil-images/mine/7gp8) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z53825177 | 分子名称: | DIMETHYL SULFOXIDE, N-(2-fluorophenyl)ethanesulfonamide, Protease 3C | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GQL
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![BU of 7gql by Molmil](/molmil-images/mine/7gql) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z53833304 | 分子名称: | 1-ethyl-1H-benzimidazole, Protease 3C | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GQK
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![BU of 7gqk by Molmil](/molmil-images/mine/7gqk) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z635046794 | 分子名称: | DIMETHYL SULFOXIDE, Protease 3C, [4-(hydroxymethyl)piperidin-1-yl](phenyl)methanone | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GPD
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![BU of 7gpd by Molmil](/molmil-images/mine/7gpd) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z57472297 | 分子名称: | 1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea, Protease 3C | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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