6OI9
 
 | | Crystal Structure of E. coli Biotin Carboxylase Complexed with 7-[3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine | | 分子名称: | 1,2-ETHANEDIOL, 7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine, Biotin carboxylase | | 著者 | Andrews, L.D, Kane, T.R, Dozzo, P, Haglund, C.M, Hilderbrandt, D.J, Linsell, M.S, Machajewski, T, McEnroe, G, Serio, A.W, Wlasichuk, K.B, Neau, D.B, Pakhomova, S, Waldrop, G.L, Sharp, M, Pogliano, J, Cirz, R, Cohen, F. | | 登録日 | 2019-04-09 | | 公開日 | 2019-07-31 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Optimization and Mechanistic Characterization of Pyridopyrimidine Inhibitors of Bacterial Biotin Carboxylase.
J.Med.Chem., 62, 2019
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6OI8
 | | Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with 7-((1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-(2-chloro-6-(pyridin-3-yl)phenyl)pyrido[2,3-d]pyrimidin-2-amine | | 分子名称: | 1,2-ETHANEDIOL, 7-[(1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-[2-chloro-6-(pyridin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine, Biotin carboxylase | | 著者 | Andrews, L.D, Kane, T.R, Dozzo, P, Haglund, C.M, Hilderbrandt, D.J, Linsell, M.S, Machajewski, T, McEnroe, G, Serio, A.W, Wlasichuk, K.B, Neau, D.B, Pakhomova, S, Waldrop, G.L, Sharp, M, Pogliano, J, Cirz, R, Cohen, F. | | 登録日 | 2019-04-09 | | 公開日 | 2019-07-31 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Optimization and Mechanistic Characterization of Pyridopyrimidine Inhibitors of Bacterial Biotin Carboxylase.
J.Med.Chem., 62, 2019
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6OJH
 | | Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with (R)-7-(3-aminopyrrolidin-1-yl)-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine | | 分子名称: | 7-[(3R)-3-aminopyrrolidin-1-yl]-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine, ACETATE ION, Biotin carboxylase, ... | | 著者 | Andrews, L.D, Kane, T.R, Dozzo, P, Haglund, C.M, Hilderbrandt, D.J, Linsell, M.S, Machajewski, T, McEnroe, G, Serio, A.W, Wlasichuk, K.B, Neau, D.B, Pakhomova, S, Waldrop, G.L, Sharp, M, Pogliano, J, Cirz, R, Cohen, F. | | 登録日 | 2019-04-11 | | 公開日 | 2020-02-12 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with (R)-7-(3-aminopyrrolidin-1-yl)-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine
To Be Published
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6S0L
 | | Structure of the A2A adenosine receptor determined at SwissFEL using native-SAD at 4.57 keV from all available diffraction patterns | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | | 著者 | Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C. | | 登録日 | 2019-06-17 | | 公開日 | 2020-07-15 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
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7GRZ
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-22 | | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N,N-dimethyl-2-[(naphthalen-2-yl)oxy]acetamide, ... | | 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 (1.86 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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7GS5
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-28 | | 分子名称: | (3R)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one, 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 (1.88 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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7GS3
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-26 | | 分子名称: | (6-phenylpyridin-3-yl)methanamine, 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 (1.89 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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7GS2
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-25 | | 分子名称: | 3-(pyridin-3-yl)benzoic acid, 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 (1.77 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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7GRH
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-4 | | 分子名称: | 3C-like proteinase nsp5, 5-chloropyridin-3-ol, 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 (1.87 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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7GS6
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-29 | | 分子名称: | (3S)-4,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one, 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 (1.62 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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7GRG
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-3 | | 分子名称: | 3,5-dichloropyridin-4-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 (1.54 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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7GRP
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-12 | | 分子名称: | 1-(2,3-dihydro-1-benzofuran-5-yl)methanamine, 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 (1.56 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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7GRT
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-16 | | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]benzamide, ... | | 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 (1.71 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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7GRK
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-7 | | 分子名称: | (6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methanol, 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 (1.8 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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7GRR
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-14 | | 分子名称: | 3C-like proteinase nsp5, 5-(3-cyclohexylprop-1-yn-1-yl)pyridine-3-carboxylic acid, 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 (1.68 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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7GRY
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-21 | | 分子名称: | 1-(3,5-dichlorophenyl)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 | | 実験手法 | X-RAY DIFFRACTION (1.54 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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7GRI
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-5 | | 分子名称: | (1S)-1-(1H-pyrazol-5-yl)ethan-1-ol, 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 (1.79 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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7GS4
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-27 | | 分子名称: | 3C-like proteinase nsp5, 7-(hydroxymethyl)-3-methyl-6~{H}-[1,3]thiazolo[3,2-a]pyrimidin-5-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 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.86 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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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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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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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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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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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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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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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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