7GRL
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![BU of 7grl by Molmil](/molmil-images/mine/7grl) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-8 | 分子名称: | 3C-like proteinase nsp5, 4-(4,5-dibromo-2H-1,2,3-triazol-2-yl)butan-2-one, CHLORIDE ION, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRO
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![BU of 7gro by Molmil](/molmil-images/mine/7gro) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-11 | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRQ
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![BU of 7grq by Molmil](/molmil-images/mine/7grq) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-13 | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRM
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![BU of 7grm by Molmil](/molmil-images/mine/7grm) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-9 | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRN
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![BU of 7grn by Molmil](/molmil-images/mine/7grn) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-10 | 分子名称: | 2-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)-1H-benzimidazole, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRV
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![BU of 7grv by Molmil](/molmil-images/mine/7grv) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-18 | 分子名称: | (2S)-2-(2-fluorophenyl)-1,3-thiazolidin-4-one, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRS
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![BU of 7grs by Molmil](/molmil-images/mine/7grs) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-15 | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, SODIUM ION, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GS1
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![BU of 7gs1 by Molmil](/molmil-images/mine/7gs1) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-24 | 分子名称: | 2-cyano-~{N}-cyclohexyl-ethanamide, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GS0
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![BU of 7gs0 by Molmil](/molmil-images/mine/7gs0) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-23 | 分子名称: | (pyridin-2-yl)(quinolin-2-yl)methanone, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRF
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![BU of 7grf by Molmil](/molmil-images/mine/7grf) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-2 | 分子名称: | 3C-like proteinase nsp5, 5-bromopyridin-3-amine, CHLORIDE ION, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRJ
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![BU of 7grj by Molmil](/molmil-images/mine/7grj) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-6 | 分子名称: | (5-chloro-1-benzothiophen-3-yl)methanol, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRW
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![BU of 7grw by Molmil](/molmil-images/mine/7grw) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-19 | 分子名称: | (2S)-N-(3,5-dichlorophenyl)-2-hydroxypropanamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRX
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![BU of 7grx by Molmil](/molmil-images/mine/7grx) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-20 | 分子名称: | 1-(2,4-difluorophenyl)pyrrolidine-2,5-dione, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRU
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![BU of 7gru by Molmil](/molmil-images/mine/7gru) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-17 | 分子名称: | 3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-amine, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRE
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![BU of 7gre by Molmil](/molmil-images/mine/7gre) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-1 | 分子名称: | 3C-like proteinase nsp5, 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridine, CHLORIDE ION, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.M. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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5QY3
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![BU of 5qy3 by Molmil](/molmil-images/mine/5qy3) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry B03a | 分子名称: | 2-[(1~{S})-1-azanylpropyl]phenol, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-02-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QY2
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![BU of 5qy2 by Molmil](/molmil-images/mine/5qy2) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry A12b | 分子名称: | 3-(propan-2-yl)-1,2,4-oxadiazol-5(4H)-one, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-02-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QY4
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![BU of 5qy4 by Molmil](/molmil-images/mine/5qy4) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry B08a | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, R-1,2-PROPANEDIOL, ... | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-02-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QY6
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![BU of 5qy6 by Molmil](/molmil-images/mine/5qy6) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C05a | 分子名称: | 2-methoxy-4-[[(4~{S},5~{S})-2,4,5-tris(2-methoxypyridin-4-yl)imidazolidin-1-yl]methyl]pyridine, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-02-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QY5
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![BU of 5qy5 by Molmil](/molmil-images/mine/5qy5) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C02a | 分子名称: | 2,4,5-tris(fluoranyl)-3-methoxy-benzoic acid, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-02-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QY1
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![BU of 5qy1 by Molmil](/molmil-images/mine/5qy1) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry A07a | 分子名称: | (2-aminopyridin-3-yl)methanol, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-02-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QY7
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![BU of 5qy7 by Molmil](/molmil-images/mine/5qy7) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C08a | 分子名称: | (1S,3S)-2-methyl-2,3-dihydro-1H-isoindole-1,3-diol, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-02-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QYB
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![BU of 5qyb by Molmil](/molmil-images/mine/5qyb) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry D06a | 分子名称: | (3-methoxyphenyl)(pyrrolidin-1-yl)methanone, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-02-12 | 公開日 | 2020-06-10 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QYA
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![BU of 5qya by Molmil](/molmil-images/mine/5qya) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry D02a | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, R-1,2-PROPANEDIOL, ... | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-02-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5QY9
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![BU of 5qy9 by Molmil](/molmil-images/mine/5qy9) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C11b | 分子名称: | A1 cistron-splicing factor AAR2, N-ethyl-N-(thiophene-2-carbonyl)-beta-alanine, Pre-mRNA-splicing factor 8, ... | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-02-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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