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5S74
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BU of 5s74 by Molmil
PanDDA analysis group deposition of ground-state model of SARS-CoV-2 Nsp3 macrodomain
分子名称: 1,2-ETHANEDIOL, Non-structural protein 3
著者Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F.
登録日2020-11-23
公開日2021-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献PanDDA analysis group deposition of ground-state model of SARS-CoV-2 Nsp3 macrodomain
To Be Published
7GZ2
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BU of 7gz2 by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000072-001
分子名称: (2R)-1-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)azepane-2-carboxylic 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 (1.137 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
7GZR
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BU of 7gzr by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008273-001
分子名称: (3S)-3-[3-(methanesulfonamido)phenyl]-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-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 (1.455 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
7GZ8
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BU of 7gz8 by Molmil
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, 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 (1.15 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
7GZJ
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BU of 7gzj by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000789-001
分子名称: (2R)-(2,3-dihydro-1,4-benzodioxin-6-yl)[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetic 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 (1.475 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
7GZ3
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BU of 7gz3 by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000090-001
分子名称: (2S,3S)-N-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-methyloxolane-3-carboxamide, 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 (1.06 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
7GZG
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BU of 7gzg by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000620-001
分子名称: (3R)-3-(4-bromophenyl)-3-[(1H-pyrrolo[3,2-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 (1.251 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
7GZS
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BU of 7gzs by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008340-001
分子名称: N-[(1R)-1-(4-methoxyphenyl)-2-(1H-tetrazol-5-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide, 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 (1.85 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
7GZM
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BU of 7gzm by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008324-001
分子名称: N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-D-valine, 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 (1.16 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
7GZN
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BU of 7gzn by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008351-001
分子名称: (4S)-4-hydroxy-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-D-proline, 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 (1.26 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
7GZQ
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BU of 7gzq by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008379-001
分子名称: 3-cyclopropyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-L-alanine, 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 (1.43 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
7GZE
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BU of 7gze by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000601-001
分子名称: (3R)-3-(4-bromophenyl)-3-{[5-(dimethylamino)pyridine-2-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 (1.14 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
7GZ1
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BU of 7gz1 by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000061-001
分子名称: 3-chloro-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridine-4-carboxamide, 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 (1.171 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
7GZU
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BU of 7gzu by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008674-001
分子名称: 7-{(1S)-2-methyl-1-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propyl}-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione, 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 (1.19 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
7GZD
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BU of 7gzd by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000593-001
分子名称: (3R)-3-(pyridin-4-yl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-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 (1.16 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
7GZ5
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BU of 7gz5 by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000050-002
分子名称: 4-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine, 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 (1.05 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
7GZ9
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BU of 7gz9 by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000462-001
分子名称: Non-structural protein 3, N~2~-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-D-valinamide
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 (1.16 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
7GZO
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BU of 7gzo by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008338-001
分子名称: 3-cyclopropyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-L-alanine, 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 (1.2 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
7GZC
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BU of 7gzc by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000588-001
分子名称: (3R)-3-(4-fluorophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-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 (1.185 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
7GZT
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BU of 7gzt by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008348-001
分子名称: 4-{[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino}-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, 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 (1.89 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
7GZF
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BU of 7gzf by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000605-001
分子名称: (3R)-3-(4-bromophenyl)-3-[(1-methyl-1H-pyrazolo[3,4-b]pyridine-4-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 (1.18 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
7GZI
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BU of 7gzi by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000753-001
分子名称: 3-[4-(cyclopropylcarbamamido)benzamido]-1-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic 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 (1.3 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
7GZA
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BU of 7gza by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000479-001
分子名称: (3R)-3-(propan-2-yl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-one, 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 (1.14 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
7GZ6
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BU of 7gz6 by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000243-001
分子名称: (3R)-3-methoxy-1-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)pyrrolidine-3-carboxylic 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 (1.15 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
7GZ4
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Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000018-001
分子名称: 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide, 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 (1.119 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

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件を2024-07-17に公開中

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