7Q5E
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![BU of 7q5e by Molmil](/molmil-images/mine/7q5e) | Crystal structure of F2F-2020209-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | 分子名称: | 3C-like proteinase, CHLORIDE ION, SODIUM ION, ... | 著者 | Costanzi, E, Demitri, N, Storici, P. | 登録日 | 2021-11-03 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Easy access to alpha-ketoamides as SARS-CoV-2 and MERS M pro inhibitors via the PADAM oxidation route. Eur.J.Med.Chem., 244, 2022
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8HWT
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8HWS
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![BU of 8hws by Molmil](/molmil-images/mine/8hws) | The complex structure of Omicron BA.4 RBD with BD604, S309, and S304 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD-604 Fab Heavy chain, BD-604 Fab Light chain, ... | 著者 | He, Q.W, Xu, Z.P, Xie, Y.F. | 登録日 | 2023-01-02 | 公開日 | 2023-12-06 | 実験手法 | ELECTRON MICROSCOPY (2.36 Å) | 主引用文献 | An updated atlas of antibody evasion by SARS-CoV-2 Omicron sub-variants including BQ.1.1 and XBB. Cell Rep Med, 4, 2023
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7PKU
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![BU of 7pku by Molmil](/molmil-images/mine/7pku) | Structure of SARS-CoV-2 nucleoprotein in dynamic complex with its viral partner nsp3a | 分子名称: | 3C-like proteinase, Nucleoprotein | 著者 | Bessa, L.M, Guseva, S, Camacho-Zarco, A.R, Salvi, N, Blackledge, M. | 登録日 | 2021-08-26 | 公開日 | 2022-01-19 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | The intrinsically disordered SARS-CoV-2 nucleoprotein in dynamic complex with its viral partner nsp3a. Sci Adv, 8, 2022
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8HVU
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8HVV
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![BU of 8hvv by Molmil](/molmil-images/mine/8hvv) | |
8HVX
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8HVY
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8HVZ
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7QUW
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![BU of 7quw by Molmil](/molmil-images/mine/7quw) | CVB3-3Cpro in complex with inhibitor MG-78 | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, Protease 3C | 著者 | Zhang, L, Hilgenfeld, R. | 登録日 | 2022-01-19 | 公開日 | 2022-03-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease. Molecules, 27, 2022
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8HVW
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7QUB
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![BU of 7qub by Molmil](/molmil-images/mine/7qub) | EV-A71-3Cpro in complex with inhibitor MG78 | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, Protease 3C, SODIUM ION | 著者 | El Kilani, H, Hilgenfeld, R. | 登録日 | 2022-01-17 | 公開日 | 2022-04-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease. Molecules, 27, 2022
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7QL8
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![BU of 7ql8 by Molmil](/molmil-images/mine/7ql8) | SARS-COV2 Main Protease in complex with inhibitor MG78 | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | El Kilani, H, Hilgenfeld, R. | 登録日 | 2021-12-19 | 公開日 | 2022-04-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.807 Å) | 主引用文献 | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease. Molecules, 27, 2022
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7RR0
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![BU of 7rr0 by Molmil](/molmil-images/mine/7rr0) | SARS-CoV-2 receptor binding domain bound to Fab PDI 222 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PDI 222 Fab Heavy Chain, PDI 222 Fab Light Chain, ... | 著者 | Pymm, P, Glukhova, A, Black, K.A, Tham, W.H. | 登録日 | 2021-08-08 | 公開日 | 2021-10-06 | 最終更新日 | 2021-10-27 | 実験手法 | ELECTRON MICROSCOPY (3.12 Å) | 主引用文献 | Landscape of human antibody recognition of the SARS-CoV-2 receptor binding domain. Cell Rep, 37, 2021
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7RG8
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![BU of 7rg8 by Molmil](/molmil-images/mine/7rg8) | Crystal Structure of a Stable Heparanase Mutant | 分子名称: | ACETATE ION, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit, ... | 著者 | Whitefield, C, Hong, N.S, Jackson, C.J. | 登録日 | 2021-07-14 | 公開日 | 2022-03-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Computational design and experimental characterisation of a stable human heparanase variant. Rsc Chem Biol, 3, 2022
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8H3G
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![BU of 8h3g by Molmil](/molmil-images/mine/8h3g) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166V Mutant in Complex with Inhibitor Enstrelvir | 分子名称: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL | 著者 | Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H. | 登録日 | 2022-10-08 | 公開日 | 2023-10-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
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8H6I
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![BU of 8h6i by Molmil](/molmil-images/mine/8h6i) | The crystal structure of SARS-CoV-2 3C-like protease Double Mutant (L50F and E166V) in complex with a traditional Chinese Medicine Inhibitors | 分子名称: | (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, 3C-like proteinase nsp5 | 著者 | Lin, M, Liu, X. | 登録日 | 2022-10-17 | 公開日 | 2023-10-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
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8H7K
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8HTV
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![BU of 8htv by Molmil](/molmil-images/mine/8htv) | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3a | 分子名称: | 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone, 3C-like proteinase | 著者 | Su, H.X, Nie, T.Q, Li, M.J, Xu, Y.C. | 登録日 | 2022-12-21 | 公開日 | 2023-08-30 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Discovery and Mechanism Study of SARS-CoV-2 3C-like Protease Inhibitors with a New Reactive Group. J.Med.Chem., 66, 2023
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8K3K
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8WX0
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![BU of 8wx0 by Molmil](/molmil-images/mine/8wx0) | PNPase of M.tuberculosis with its RNA substrate | 分子名称: | Bifunctional guanosine pentaphosphate synthetase/polyribonucleotide nucleotidyltransferase, RNA (24-mer) | 著者 | Wang, N, Sheng, Y.N. | 登録日 | 2023-10-27 | 公開日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Cryo-EM structures of Mycobacterium tuberculosis polynucleotide phosphorylase suggest a potential mechanism for its RNA substrate degradation. Arch.Biochem.Biophys., 754, 2024
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9CPO
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8WXF
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![BU of 8wxf by Molmil](/molmil-images/mine/8wxf) | PNPase of Mycobacterium tuberculosis | 分子名称: | Bifunctional guanosine pentaphosphate synthetase/polyribonucleotide nucleotidyltransferase | 著者 | Wang, N, Sheng, Y.N, Liu, Y.T. | 登録日 | 2023-10-29 | 公開日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Cryo-EM structures of Mycobacterium tuberculosis polynucleotide phosphorylase suggest a potential mechanism for its RNA substrate degradation. Arch.Biochem.Biophys., 754, 2024
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7N5Z
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![BU of 7n5z by Molmil](/molmil-images/mine/7n5z) | SARS-CoV-2 Main protease C145S mutant | 分子名称: | 3C-like proteinase | 著者 | Noske, G.D, Nakamura, A.M, Gawriljuk, V.O, Lima, G.M.A, Zeri, A.C.M, Nascimento, A.F.Z, Oliva, G, Godoy, A.S. | 登録日 | 2021-06-07 | 公開日 | 2021-06-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process. J.Mol.Biol., 433, 2021
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7MZK
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![BU of 7mzk by Molmil](/molmil-images/mine/7mzk) | SARS-CoV-2 receptor binding domain bound to Fab WCSL 129 and Fab PDI 96 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, ... | 著者 | Pymm, P, Dietrich, M.H, Tan, L.L, Chan, L.J, Tham, W.H. | 登録日 | 2021-05-24 | 公開日 | 2021-10-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Landscape of human antibody recognition of the SARS-CoV-2 receptor binding domain. Cell Rep, 37, 2021
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