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PDB: 4673 件
7GZH
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Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000670-001
分子名称: (3R)-3-(4-bromophenyl)-3-[(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)amino]propanoic acid, Non-structural protein 3
著者Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F.
登録日2024-01-23
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
7H04
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Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000453-001
分子名称: (2R)-3-methyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-1-ol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Papain-like protease nsp3
著者Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F.
登録日2024-01-23
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
7GOJ
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1685106505
分子名称: (3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole, 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
7GOZ
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z381474098
分子名称: (2R)-N-(pyridin-2-yl)-1,4-dioxane-2-carboxamide, 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 (1.66 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7GP5
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z50145861
分子名称: 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, 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 (1.43 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7GPJ
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z85249949
分子名称: 4-[2-(trifluoromethyl)benzoyl]piperazin-2-one, 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
7GPN
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z992916756
分子名称: (4S)-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine, 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 (1.54 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7GQI
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z27782662
分子名称: N-phenylcyclopropanecarboxamide, 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
7GPV
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with NCL-00023820
分子名称: 4-bromanyl-1,2-oxazole, 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 (1.23 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7GPZ
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with NCL-00024673
分子名称: 4-bromo-1-(2-methoxyethyl)-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 (1.71 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7GO6
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1203586731
分子名称: 1-[(4S)-imidazo[1,2-a]pyridin-7-yl]methanamine, 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 (1.41 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7GOE
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1342868616
分子名称: 1-(diphenylmethyl)azetidin-3-ol, 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
7GQ4
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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
7GQO
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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
7GOO
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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
7GPQ
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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
7GQ0
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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
7GQR
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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
7GPD
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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
7GQL
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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
7GQP
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1198152494
分子名称: 1H-imidazole-5-carbonitrile, 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 (1.7 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7H4U
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Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z315923746 (A71EV2A-x1109)
分子名称: 2-phenyl-1,3-thiazole-5-carboxylic acid, DIMETHYL SULFOXIDE, Protease 2A, ...
著者Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-04
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
To Be Published
7H4C
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Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z954606858 (A71EV2A-x0719)
分子名称: (2S)-2-phenylpropane-1-sulfonamide, Protease 2A, ZINC ION
著者Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-04
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
To Be Published
7H4W
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BU of 7h4w by Molmil
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z56042334 (A71EV2A-x1140)
分子名称: 1-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethan-1-one, DIMETHYL SULFOXIDE, Protease 2A, ...
著者Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-04
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
To Be Published
7H4Q
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Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z59181971 (A71EV2A-x1080)
分子名称: DIMETHYL SULFOXIDE, N-hydroxypropanamide, Protease 2A, ...
著者Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-04
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
To Be Published

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件を2024-07-31に公開中

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