7GRT
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![BU of 7grt by Molmil](/molmil-images/mine/7grt) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-16 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]benzamide, ... | 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 (1.71 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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7GRP
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![BU of 7grp by Molmil](/molmil-images/mine/7grp) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-12 | Descriptor: | 1-(2,3-dihydro-1-benzofuran-5-yl)methanamine, 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 (1.56 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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7GRK
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![BU of 7grk by Molmil](/molmil-images/mine/7grk) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-7 | Descriptor: | (6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methanol, 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 (1.8 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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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 | Descriptor: | 3C-like proteinase nsp5, 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridine, CHLORIDE ION, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.M. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.66 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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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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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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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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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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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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7VF4
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![BU of 7vf4 by Molmil](/molmil-images/mine/7vf4) | Crystal structure of Vps75 from Candida albicans | Descriptor: | CHLORIDE ION, SODIUM ION, Vps75 | Authors: | Wang, W, Chen, X, Yang, Z, Chen, X, Li, C, Wang, M. | Deposit date: | 2021-09-10 | Release date: | 2021-10-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of histone chaperone Vps75 from Candida albicans. Biochem.Biophys.Res.Commun., 578, 2021
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7GQU
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![BU of 7gqu by Molmil](/molmil-images/mine/7gqu) | Crystal Structure of Werner helicase fragment 517-945 in covalent complex with N-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, GLYCEROL, ... | Authors: | Classen, M, Benz, J, Brugger, D, Tagliente, O, Rudolph, M.G. | Deposit date: | 2023-10-19 | Release date: | 2024-05-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase. Nature, 629, 2024
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6EJJ
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![BU of 6ejj by Molmil](/molmil-images/mine/6ejj) | Structure of a glycosyltransferase / state 2 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, NerylNeryl pyrophosphate, ... | Authors: | Ramirez, A.S, Boilevin, J, Mehdipour, A.R, Hummer, G, Darbre, T, Reymond, J.L, Locher, K.P. | Deposit date: | 2017-09-21 | Release date: | 2018-02-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of the molecular ruler mechanism of a bacterial glycosyltransferase. Nat Commun, 9, 2018
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6ERC
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![BU of 6erc by Molmil](/molmil-images/mine/6erc) | Peroxidase A from Dictyostelium discoideum (DdPoxA) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Nicolussi, A, Mlynek, G, Furtmueller, P.G, Djinovic-Carugo, K, Obinger, C. | Deposit date: | 2017-10-17 | Release date: | 2017-12-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.50001836 Å) | Cite: | Secreted heme peroxidase from Dictyostelium discoideum: Insights into catalysis, structure, and biological role. J. Biol. Chem., 293, 2018
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