5SBY
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![BU of 5sby by Molmil](/molmil-images/mine/5sby) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1878656559 | 分子名称: | (1R,2R)-2,4,4-trimethyl-N-[(1H-pyrazol-3-yl)methyl]cyclopentan-1-amine, 1,2-ETHANEDIOL, CD44 antigen, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | 登録日 | 2021-09-14 | 公開日 | 2021-09-22 | 実験手法 | X-RAY DIFFRACTION (1.217 Å) | 主引用文献 | CD44 PanDDA analysis group deposition To Be Published
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5SBZ
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![BU of 5sbz by Molmil](/molmil-images/mine/5sbz) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z768399682 | 分子名称: | 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | 登録日 | 2021-09-14 | 公開日 | 2021-09-22 | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | 主引用文献 | CD44 PanDDA analysis group deposition To Be Published
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5SC0
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![BU of 5sc0 by Molmil](/molmil-images/mine/5sc0) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z2856434899 | 分子名称: | 1,2-ETHANEDIOL, 1-[(thiophen-3-yl)methyl]piperidin-4-ol, CD44 antigen, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | 登録日 | 2021-09-14 | 公開日 | 2021-09-22 | 実験手法 | X-RAY DIFFRACTION (1.192 Å) | 主引用文献 | CD44 PanDDA analysis group deposition To Be Published
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5SC1
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![BU of 5sc1 by Molmil](/molmil-images/mine/5sc1) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z431807512 | 分子名称: | 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | 登録日 | 2021-09-14 | 公開日 | 2021-09-22 | 実験手法 | X-RAY DIFFRACTION (1.165 Å) | 主引用文献 | CD44 PanDDA analysis group deposition To Be Published
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5SC2
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![BU of 5sc2 by Molmil](/molmil-images/mine/5sc2) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z190780124 | 分子名称: | (3S)-N-[(1R)-1-cyclopropylethyl]-2-oxo-2,3-dihydropyridine-3-carboxamide, 1,2-ETHANEDIOL, CD44 antigen, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | 登録日 | 2021-09-14 | 公開日 | 2021-09-22 | 実験手法 | X-RAY DIFFRACTION (1.208 Å) | 主引用文献 | CD44 PanDDA analysis group deposition To Be Published
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5SC3
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![BU of 5sc3 by Molmil](/molmil-images/mine/5sc3) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z422471910 | 分子名称: | 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | 登録日 | 2021-09-14 | 公開日 | 2021-09-22 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | CD44 PanDDA analysis group deposition To Be Published
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5SC4
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![BU of 5sc4 by Molmil](/molmil-images/mine/5sc4) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z927412236 | 分子名称: | (2R)-2-amino-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one, 1,2-ETHANEDIOL, CD44 antigen, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | 登録日 | 2021-09-14 | 公開日 | 2021-09-22 | 実験手法 | X-RAY DIFFRACTION (1.165 Å) | 主引用文献 | CD44 PanDDA analysis group deposition To Be Published
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5SC5
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![BU of 5sc5 by Molmil](/molmil-images/mine/5sc5) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z56827661 | 分子名称: | 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | 登録日 | 2021-09-14 | 公開日 | 2021-09-22 | 実験手法 | X-RAY DIFFRACTION (1.171 Å) | 主引用文献 | CD44 PanDDA analysis group deposition To Be Published
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5SC6
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![BU of 5sc6 by Molmil](/molmil-images/mine/5sc6) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with POB0019 | 分子名称: | 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | 登録日 | 2021-09-14 | 公開日 | 2021-09-22 | 実験手法 | X-RAY DIFFRACTION (1.327 Å) | 主引用文献 | CD44 PanDDA analysis group deposition To Be Published
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5SC7
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![BU of 5sc7 by Molmil](/molmil-images/mine/5sc7) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with POB0120 | 分子名称: | (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one, 1,2-ETHANEDIOL, CD44 antigen, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | 登録日 | 2021-09-14 | 公開日 | 2021-09-22 | 実験手法 | X-RAY DIFFRACTION (1.197 Å) | 主引用文献 | CD44 PanDDA analysis group deposition To Be Published
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5UGF
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![BU of 5ugf by Molmil](/molmil-images/mine/5ugf) | Crystal structure of human purine nucleoside phosphorylase (F159Y) mutant complexed with DADMe-ImmG and phosphate | 分子名称: | 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, Purine nucleoside phosphorylase | 著者 | Harijan, R.K, Cameron, S.A, Bonanno, J.B, Almo, S.C, Schramm, V.L. | 登録日 | 2017-01-08 | 公開日 | 2017-06-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Catalytic-site design for inverse heavy-enzyme isotope effects in human purine nucleoside phosphorylase. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U9T
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![BU of 5u9t by Molmil](/molmil-images/mine/5u9t) | The Tris-thiolate Zn(II)S3Cl Binding Site Engineered by D-Cysteine Ligands in de Novo Three-stranded Coiled Coil Environment | 分子名称: | ACETATE ION, CHLORIDE ION, POLYETHYLENE GLYCOL (N=34), ... | 著者 | Ruckthong, L, Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L. | 登録日 | 2016-12-18 | 公開日 | 2017-04-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | d-Cysteine Ligands Control Metal Geometries within De Novo Designed Three-Stranded Coiled Coils. Chemistry, 23, 2017
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5U99
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![BU of 5u99 by Molmil](/molmil-images/mine/5u99) | Transition state analysis of adenosine triphosphate phosphoribosyltransferase | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, MAGNESIUM ION, ... | 著者 | Moggre, G.-J, Poulin, M.B, Tyler, P.C, Schramm, V.L, Parker, E.J. | 登録日 | 2016-12-15 | 公開日 | 2017-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Transition State Analysis of Adenosine Triphosphate Phosphoribosyltransferase. ACS Chem. Biol., 12, 2017
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5U9U
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![BU of 5u9u by Molmil](/molmil-images/mine/5u9u) | De Novo Three-stranded Coiled Coil Peptide Containing a Tris-thiolate Site Engineered by D-Cysteine Ligands | 分子名称: | Apo-(CoilSer L16(DCY))3, CHLORIDE ION, POLYETHYLENE GLYCOL (N=34), ... | 著者 | Ruckthong, L, Stuckey, J.A, Pecoraro, V.L. | 登録日 | 2016-12-18 | 公開日 | 2017-04-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | d-Cysteine Ligands Control Metal Geometries within De Novo Designed Three-Stranded Coiled Coils. Chemistry, 23, 2017
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7B8E
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![BU of 7b8e by Molmil](/molmil-images/mine/7b8e) | Torpedo californica acetylcholinesterase complexed with Ca+2 | 分子名称: | 1,2-ETHANEDIOL, 2-[2-(2-ethoxyethoxy)ethoxy]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Silman, I, Shnyrov, V.L, Ashani, Y, Roth, E, Nicolas, A, Sussman, J.L. | 登録日 | 2020-12-12 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Torpedo californica acetylcholinesterase is stabilized by binding of a divalent metal ion to a novel and versatile 4D motif. Protein Sci., 30, 2021
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5S20
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![BU of 5s20 by Molmil](/molmil-images/mine/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
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5S2K
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![BU of 5s2k by Molmil](/molmil-images/mine/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
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5S30
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![BU of 5s30 by Molmil](/molmil-images/mine/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
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5S3K
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![BU of 5s3k by Molmil](/molmil-images/mine/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
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5S46
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![BU of 5s46 by Molmil](/molmil-images/mine/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
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5S4K
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![BU of 5s4k by Molmil](/molmil-images/mine/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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5S1G
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![BU of 5s1g by Molmil](/molmil-images/mine/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
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5S1Q
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![BU of 5s1q by Molmil](/molmil-images/mine/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
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5S29
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![BU of 5s29 by Molmil](/molmil-images/mine/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
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5S2G
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![BU of 5s2g by Molmil](/molmil-images/mine/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
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