PDB形式変換不可の PDB エントリー

7HOU	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014704-001 分子名称: (2P)-2-(6-fluoro-5-methylpyridin-3-yl)-N-(1-methyl-1H-pyrazol-4-yl)benzamide, DIMETHYL SULFOXIDE, SULFATE ION, ... 著者 Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. 登録日 2024-11-07 公開日 2025-02-26 最終更新日 2025-05-28 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 PanDDA analysis group deposition To Be Published
7HOV	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014707-001 分子名称: 3-chloro-5-[({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}methyl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide, DIMETHYL SULFOXIDE, SULFATE ION, ... 著者 Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. 登録日 2024-11-07 公開日 2025-02-26 最終更新日 2025-05-28 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 PanDDA analysis group deposition To Be Published
7HOW	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014812-001 分子名称: DIMETHYL SULFOXIDE, N-[2-(methanesulfonyl)-5-(piperazin-1-yl)phenyl]quinoline-5-carboxamide, SULFATE ION, ... 著者 Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. 登録日 2024-11-07 公開日 2025-02-26 最終更新日 2025-05-28 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 PanDDA analysis group deposition To Be Published
7HOX	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014821-001 分子名称: (2P)-2-(6-methoxypyridin-3-yl)-N-(1-methyl-1H-pyrazol-4-yl)benzamide, DIMETHYL SULFOXIDE, SULFATE ION, ... 著者 Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. 登録日 2024-11-07 公開日 2025-02-26 最終更新日 2025-05-28 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 PanDDA analysis group deposition To Be Published
7HOY	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014767-001 分子名称: 3-chloro-5-[(E)-({3-[(dimethylamino)methyl]-4-hydroxyphenyl}methylidene)amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide, DIMETHYL SULFOXIDE, SULFATE ION, ... 著者 Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. 登録日 2024-11-07 公開日 2025-05-28 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 PanDDA analysis group deposition To Be Published
7HOZ	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014795-001 分子名称: DIMETHYL SULFOXIDE, N-(1-methyl-1H-pyrazol-4-yl)quinoline-5-carboxamide, SULFATE ION, ... 著者 Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. 登録日 2024-11-07 公開日 2025-02-26 最終更新日 2025-05-28 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 PanDDA analysis group deposition To Be Published
7HP0	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014812-001 分子名称: DIMETHYL SULFOXIDE, N-[2-(methanesulfonyl)-5-(piperazin-1-yl)phenyl]quinoline-5-carboxamide, Serine protease NS3, ... 著者 Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. 登録日 2024-11-07 公開日 2025-02-26 最終更新日 2025-05-28 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 PanDDA analysis group deposition To Be Published
7HP1	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014738-001 分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, N-(1-methyl-1H-pyrazol-4-yl)-2-(2-methylpyrimidin-5-yl)benzamide, ... 著者 Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. 登録日 2024-11-07 公開日 2025-02-26 最終更新日 2025-05-28 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 PanDDA analysis group deposition To Be Published
7HP2	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014767-001 分子名称: 3-chloro-5-[({3-[(dimethylamino)methyl]-4-hydroxyphenyl}methyl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide, DIMETHYL SULFOXIDE, SULFATE ION, ... 著者 Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. 登録日 2024-11-07 公開日 2025-02-26 最終更新日 2025-05-28 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 PanDDA analysis group deposition To Be Published
7HP3	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014790-001 分子名称: DIMETHYL SULFOXIDE, N-[(8S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]quinoline-5-carboxamide, SULFATE ION, ... 著者 Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. 登録日 2024-11-07 公開日 2025-05-28 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 PanDDA analysis group deposition To Be Published
7HP4	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014856-001 分子名称: (2M)-2-[6-(methylamino)pyridin-3-yl]-N-(1-methyl-1H-pyrazol-4-yl)benzamide, DIMETHYL SULFOXIDE, SULFATE ION, ... 著者 Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. 登録日 2024-11-07 公開日 2025-02-26 最終更新日 2025-05-28 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 PanDDA analysis group deposition To Be Published
7HP5	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014897-001 分子名称: 4-methoxy-2-(piperazin-1-yl)-6-{[(pyrimidin-5-yl)oxy]methyl}pyrimidine, DIMETHYL SULFOXIDE, Serine protease NS3, ... 著者 Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. 登録日 2024-11-07 公開日 2025-02-26 最終更新日 2025-05-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 PanDDA analysis group deposition To Be Published
7HP6	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014903-001 分子名称: (4R)-2-methyl-N-(3-methylpyridin-4-yl)imidazo[1,2-a]pyridine-7-carboxamide, DIMETHYL SULFOXIDE, SULFATE ION, ... 著者 Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. 登録日 2024-11-07 公開日 2025-02-26 最終更新日 2025-05-28 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 PanDDA analysis group deposition To Be Published
7HP7	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014939-001 分子名称: (8S)-7-{[6-methoxy-2-(piperazin-1-yl)pyrimidin-4-yl]methoxy}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine, DIMETHYL SULFOXIDE, SULFATE ION, ... 著者 Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. 登録日 2024-11-07 公開日 2025-02-26 最終更新日 2025-05-28 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 PanDDA analysis group deposition To Be Published
7HP8	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014942-001 分子名称: DIMETHYL SULFOXIDE, N-(3-methylpyridin-4-yl)-5-propanamidopyridine-3-carboxamide, SULFATE ION, ... 著者 Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. 登録日 2024-11-07 公開日 2025-02-26 最終更新日 2025-05-28 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 PanDDA analysis group deposition To Be Published
7HP9	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015097-001 分子名称: DIMETHYL SULFOXIDE, Serine protease NS3, Serine protease subunit NS2B, ... 著者 Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. 登録日 2024-11-07 公開日 2025-02-26 最終更新日 2025-05-28 実験手法 X-RAY DIFFRACTION (2.159 Å) 主引用文献 PanDDA analysis group deposition To Be Published
7HPA	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015164-001 分子名称: DIMETHYL SULFOXIDE, N-[(2S)-3-[4-(aminomethyl)phenyl]-1-oxo-1-(piperidin-1-yl)propan-2-yl]benzamide, SULFATE ION, ... 著者 Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. 登録日 2024-11-07 公開日 2025-02-26 最終更新日 2025-05-28 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 PanDDA analysis group deposition To Be Published
7HPB	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015080-001 分子名称: DIMETHYL SULFOXIDE, N-{3-chloro-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl}-2-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide, Serine protease NS3, ... 著者 Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. 登録日 2024-11-07 公開日 2025-02-26 最終更新日 2025-05-28 実験手法 X-RAY DIFFRACTION (2.156 Å) 主引用文献 PanDDA analysis group deposition To Be Published
7HPC	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015093-001 分子名称: 4-methyl-N-[(2-methyl-1H-imidazol-4-yl)methyl]-2-[(3S)-piperidin-3-yl]-1H-imidazole-5-carboxamide, DIMETHYL SULFOXIDE, SULFATE ION, ... 著者 Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. 登録日 2024-11-07 公開日 2025-02-26 最終更新日 2025-05-28 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 PanDDA analysis group deposition To Be Published
7HPD	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015216-001 分子名称: DIMETHYL SULFOXIDE, N-(5-carbamoyl-1H-pyrrol-3-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide, SULFATE ION, ... 著者 Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. 登録日 2024-11-07 公開日 2025-02-26 最終更新日 2025-05-28 実験手法 X-RAY DIFFRACTION (1.626 Å) 主引用文献 PanDDA analysis group deposition To Be Published
7HPE	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015259-001 分子名称: DIMETHYL SULFOXIDE, N-(1-methyl-1H-pyrazol-4-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide, Serine protease NS3, ... 著者 Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. 登録日 2024-11-07 公開日 2025-02-26 最終更新日 2025-05-28 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 PanDDA analysis group deposition To Be Published
7HPF	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015286-001 分子名称: 4-methyl-2-[(3S)-piperidin-3-yl]-N-(pyridin-2-yl)-1H-imidazole-5-carboxamide, DIMETHYL SULFOXIDE, Serine protease NS3, ... 著者 Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. 登録日 2024-11-07 公開日 2025-02-26 最終更新日 2025-05-28 実験手法 X-RAY DIFFRACTION (1.953 Å) 主引用文献 PanDDA analysis group deposition To Be Published
7HPG	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015487-001 分子名称: DIMETHYL SULFOXIDE, N-(3-methylpyridin-4-yl)-2-oxo-1-{[(3R)-pyrrolidin-3-yl]methyl}-1,2-dihydropyridine-3-carboxamide, SULFATE ION, ... 著者 Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. 登録日 2024-11-07 公開日 2025-02-26 最終更新日 2025-05-28 実験手法 X-RAY DIFFRACTION (1.664 Å) 主引用文献 PanDDA analysis group deposition To Be Published
7HPH	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015442-001 分子名称: 4-methoxy-2-(piperazin-1-yl)-6-{[2-(piperazin-1-yl)pyridin-4-yl]methyl}pyrimidine, DIMETHYL SULFOXIDE, Serine protease NS3, ... 著者 Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. 登録日 2024-11-07 公開日 2025-02-26 最終更新日 2025-05-28 実験手法 X-RAY DIFFRACTION (2.337 Å) 主引用文献 PanDDA analysis group deposition To Be Published
7HPI	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1717_6 分子名称: 6-{[(3-fluorophenyl)methyl]sulfanyl}-9H-purine, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2024-12-08 公開日 2025-08-20 実験手法 X-RAY DIFFRACTION (1.01 Å) 主引用文献 Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published

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