PDB: 699 件ウェブページステータス検索Chemie searchBIRD

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6W8Q	Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments 分子名称: 2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid, Nonstructural polyprotein 著者 Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. 登録日 2020-03-21 公開日 2021-01-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
6W8K	Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments 分子名称: 5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein 著者 Zhang, S, Garzan, A, Augelli-Szafran, C.E, Pathak, A.K, Wu, M. 登録日 2020-03-20 公開日 2021-01-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
6VUQ	Crystal structure of CHIKV nsP3 macrodomain soaked with ADP-ribose 分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Nonstructural polyprotein 著者 Wu, M. 登録日 2020-02-16 公開日 2021-01-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
6W8Y	Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments 分子名称: 2-oxo-2,3-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein 著者 Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. 登録日 2020-03-21 公開日 2021-01-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
6W8Z	Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments 分子名称: Nonstructural polyprotein, methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate 著者 Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. 登録日 2020-03-21 公開日 2021-01-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
6W91	Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments 分子名称: Nonstructural polyprotein, methyl 2-oxo-2,5-dihydropyrimidine-4-carboxylate 著者 Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. 登録日 2020-03-21 公開日 2021-01-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
5S18	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-321461 分子名称: 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, 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 2020-11-02 公開日 2021-01-13 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
5S1G	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-108952 分子名称: (4-methylpyridin-3-yl)methanol, 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 2020-11-02 公開日 2021-01-13 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.11 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
5S29	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z199959602 分子名称: 7-fluoro-N,2-dimethylquinoline-3-carboxamide, 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 2020-11-02 公開日 2021-01-13 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
5S2Q	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z26781952 分子名称: N-[(1H-benzimidazol-2-yl)methyl]butanamide, 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 2020-11-02 公開日 2021-01-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.28 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
5S36	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2856434938 分子名称: 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine, 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 2020-11-02 公開日 2021-01-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.058 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
5S3P	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1238477790 分子名称: N-(cyclopentanecarbonyl)-L-alanine, 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 2020-11-02 公開日 2021-01-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
5S41	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with NCL-00023825 分子名称: 4-bromanyl-1~{H}-pyridin-2-one, 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 2020-11-02 公開日 2021-01-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.186 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
5S4J	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF054 分子名称: 6-chlorotetrazolo[1,5-b]pyridazine, 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 2020-11-02 公開日 2021-01-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.124 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
5S20	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with PB1827975385 分子名称: (5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol, 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 2020-11-02 公開日 2021-01-13 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.037 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
5S1Q	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-17035 分子名称: Non-structural protein 3, quinazolin-4(3H)-one 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 2020-11-02 公開日 2021-01-13 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.127 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
5S2K	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z445856640 分子名称: N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea, 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 2020-11-02 公開日 2021-01-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.097 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
5S2G	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z321318226 分子名称: N-(4-methoxyphenyl)-N'-pyridin-4-ylurea, 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 2020-11-02 公開日 2021-01-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.19 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
5S30	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z65532537 分子名称: (2R)-2-(2-fluorophenoxy)propanoic acid, 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 2020-11-02 公開日 2021-01-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.19 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
5S2W	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1407672867 分子名称: 2-cyclopropyl-1~{H}-imidazole-4-carboxamide, CHLORIDE ION, 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 2020-11-02 公開日 2021-01-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.081 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
5S3K	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z219104216 分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 6-(ethylamino)pyridine-3-carbonitrile, 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 2020-11-02 公開日 2021-01-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.17 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
5S3C	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2856434937 分子名称: (4-acetylphenoxy)acetic acid, DIMETHYL SULFOXIDE, 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 2020-11-02 公開日 2021-01-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.185 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
5S46	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z57131035 分子名称: Non-structural protein 3, imidazolidine-2,4-dione 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 2020-11-02 公開日 2021-01-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.191 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
5S3T	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0128 分子名称: (1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid, DIMETHYL SULFOXIDE, 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 2020-11-02 公開日 2021-01-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.085 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
5S4K	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with FMOOA000509a 分子名称: (2S,5R,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol, 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 2020-11-02 公開日 2021-01-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.076 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021

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