7GRR
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![BU of 7grr by Molmil](/molmil-images/mine/7grr) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-14 | Descriptor: | 3C-like proteinase nsp5, 5-(3-cyclohexylprop-1-yn-1-yl)pyridine-3-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | 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
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![BU of 7gry by Molmil](/molmil-images/mine/7gry) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-21 | Descriptor: | 1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | 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
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![BU of 7gri by Molmil](/molmil-images/mine/7gri) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-5 | Descriptor: | (1S)-1-(1H-pyrazol-5-yl)ethan-1-ol, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | 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
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![BU of 7gs4 by Molmil](/molmil-images/mine/7gs4) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-27 | Descriptor: | 3C-like proteinase nsp5, 7-(hydroxymethyl)-3-methyl-6~{H}-[1,3]thiazolo[3,2-a]pyrimidin-5-one, CHLORIDE ION, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | 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
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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 | Descriptor: | 3C-like proteinase nsp5, 4-(4,5-dibromo-2H-1,2,3-triazol-2-yl)butan-2-one, CHLORIDE ION, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | 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 | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | 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 | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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 | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | 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 | Descriptor: | (2S)-2-(2-fluorophenyl)-1,3-thiazolidin-4-one, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | 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 | Descriptor: | 2-cyano-~{N}-cyclohexyl-ethanamide, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | 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 | Descriptor: | 2-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)-1H-benzimidazole, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | 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 | Descriptor: | (pyridin-2-yl)(quinolin-2-yl)methanone, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | 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 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, SODIUM ION, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | 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 | Descriptor: | 3C-like proteinase nsp5, 5-bromopyridin-3-amine, CHLORIDE ION, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | 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 | Descriptor: | (5-chloro-1-benzothiophen-3-yl)methanol, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | 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 | Descriptor: | (2S)-N-(3,5-dichlorophenyl)-2-hydroxypropanamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | 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 | Descriptor: | 1-(2,4-difluorophenyl)pyrrolidine-2,5-dione, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | 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 | Descriptor: | 3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-amine, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | 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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7GRZ
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![BU of 7grz by Molmil](/molmil-images/mine/7grz) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-22 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N,N-dimethyl-2-[(naphthalen-2-yl)oxy]acetamide, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | 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
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![BU of 7gs5 by Molmil](/molmil-images/mine/7gs5) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-28 | Descriptor: | (3R)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | 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
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![BU of 7gs3 by Molmil](/molmil-images/mine/7gs3) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-26 | Descriptor: | (6-phenylpyridin-3-yl)methanamine, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | 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
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![BU of 7gs2 by Molmil](/molmil-images/mine/7gs2) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-25 | Descriptor: | 3-(pyridin-3-yl)benzoic acid, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | 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
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![BU of 7grh by Molmil](/molmil-images/mine/7grh) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-4 | Descriptor: | 3C-like proteinase nsp5, 5-chloropyridin-3-ol, DIMETHYL SULFOXIDE, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | 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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5S4O
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![BU of 5s4o by Molmil](/molmil-images/mine/5s4o) | Tubulin-Z48847594-complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. | Deposit date: | 2020-11-08 | Release date: | 2021-06-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl., 60, 2021
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5S4Q
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![BU of 5s4q by Molmil](/molmil-images/mine/5s4q) | Tubulin-Z422344882-complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one, CALCIUM ION, ... | Authors: | Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. | Deposit date: | 2020-11-08 | Release date: | 2021-06-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl., 60, 2021
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