7X93
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7X94
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7X95
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7X96
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7XB3
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7XB4
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![BU of 7xb4 by Molmil](/molmil-images/mine/7xb4) | Crystal structure of SARS-Cov-2 main protease D48N mutant in complex with PF07321332 | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, Replicase polyprotein 1a | 著者 | Hu, X.H, Li, J, Zhang, J. | 登録日 | 2022-03-20 | 公開日 | 2023-03-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Crystal structure of SARS-Cov-2 main protease D48N mutant in complex with PF07321332 To Be Published
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7Z2K
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![BU of 7z2k by Molmil](/molmil-images/mine/7z2k) | Crystal structure of SARS-CoV-2 Main Protease in orthorhombic space group p212121 | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | 登録日 | 2022-02-28 | 公開日 | 2023-03-22 | 最終更新日 | 2024-07-31 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds. Nat Commun, 15, 2024
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7Z3U
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![BU of 7z3u by Molmil](/molmil-images/mine/7z3u) | Crystal structure of SARS-CoV-2 Main Protease after incubation with Sulfo-Calpeptin | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION, Calpetin, ... | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | 登録日 | 2022-03-02 | 公開日 | 2023-03-22 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7Z4S
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![BU of 7z4s by Molmil](/molmil-images/mine/7z4s) | Crystal structure of SARS-CoV-2 Mpro in complex with cyclic peptide GM4 including unnatural amino acids. | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, ... | 著者 | Owen, C.D, Miura, T, Malla, T, Lukacik, L, Strain-Damerell, C.M, Tumber, A, Brewitz, L, McDonough, M.A, Salah, E, Terasaka, N, Katoh, T, Kawamura, A, Schofield, C.J, Suga, H, Walsh, M.A. | 登録日 | 2022-03-04 | 公開日 | 2023-03-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | In vitro selection of macrocyclic peptide inhibitors containing cyclic gamma 2,4 -amino acids targeting the SARS-CoV-2 main protease. Nat.Chem., 15, 2023
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8BBN
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![BU of 8bbn by Molmil](/molmil-images/mine/8bbn) | SARS-CoV-2 Delta-RBD complexed with BA.2-10 and EY6A Fabs | 分子名称: | BA.2-10 heavy chain, BA.2-10 light chain, EY6A Heavy chain, ... | 著者 | Zhou, D, Ren, J, Stuart, D.I. | 登録日 | 2022-10-14 | 公開日 | 2023-03-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3.58 Å) | 主引用文献 | Rapid escape of new SARS-CoV-2 Omicron variants from BA.2-directed antibody responses. Cell Rep, 42, 2023
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8BBO
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![BU of 8bbo by Molmil](/molmil-images/mine/8bbo) | SARS-CoV-2 Delta-RBD complexed with BA.2-36 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IGH@ protein, Immunoglobulin kappa light chain, ... | 著者 | Zhou, D, Ren, J, Stuart, D.I. | 登録日 | 2022-10-14 | 公開日 | 2023-03-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Rapid escape of new SARS-CoV-2 Omicron variants from BA.2-directed antibody responses. Cell Rep, 42, 2023
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8BCZ
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![BU of 8bcz by Molmil](/molmil-images/mine/8bcz) | SARS-CoV-2 Delta-RBD complexed with Fabs BA.2-36, BA.2-23, EY6A and COVOX-45 | 分子名称: | BA.2-23 heavy chain, BA.2-23 light chain, BA.2-36 heavy chain, ... | 著者 | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I. | 登録日 | 2022-10-17 | 公開日 | 2023-03-22 | 最終更新日 | 2023-04-12 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Rapid escape of new SARS-CoV-2 Omicron variants from BA.2-directed antibody responses. Cell Rep, 42, 2023
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8C3V
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![BU of 8c3v by Molmil](/molmil-images/mine/8c3v) | SARS-CoV-2 Delta-RBD complexed with BA.2-13 Fab and C1 nanobody | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, BA.2-13 heavy chain, BA.2-13 light chain, ... | 著者 | Zhou, D, Ren, J, Stuart, D.I. | 登録日 | 2022-12-28 | 公開日 | 2023-03-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Rapid escape of new SARS-CoV-2 Omicron variants from BA.2-directed antibody responses. Cell Rep, 42, 2023
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8D0Z
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![BU of 8d0z by Molmil](/molmil-images/mine/8d0z) | S728-1157 IgG in complex with SARS-CoV-2-6P-Mut7 Spike protein (focused refinement) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S728-1157 Fab heavy chain variable region, S728-1157 Fab light chain variable region, ... | 著者 | Ozorowski, G, Torres, J.L, Ward, A.B. | 登録日 | 2022-05-26 | 公開日 | 2023-03-22 | 最終更新日 | 2023-05-03 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Site of vulnerability on SARS-CoV-2 spike induces broadly protective antibody against antigenically distinct Omicron subvariants. J.Clin.Invest., 133, 2023
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8H3D
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![BU of 8h3d by Molmil](/molmil-images/mine/8h3d) | Structure of apo SARS-CoV-2 spike protein with one RBD up | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin | 著者 | Meng, F, Wang, Q, Xie, Y, Ni, X, Huang, N. | 登録日 | 2022-10-08 | 公開日 | 2023-03-22 | 実験手法 | ELECTRON MICROSCOPY (3.27 Å) | 主引用文献 | In Silico Discovery of Small Molecule Modulators Targeting the Achilles' Heel of SARS-CoV-2 Spike Protein. Acs Cent.Sci., 9, 2023
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8H3E
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![BU of 8h3e by Molmil](/molmil-images/mine/8h3e) | Complex structure of a small molecule (SPC-14) bound SARS-CoV-2 spike protein, closed state | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(6-nitro-2,3-dihydroindol-1-yl)-7-oxidanylidene-heptanoic acid, Spike glycoprotein,Fibritin | 著者 | Meng, F, Wang, Q, Xie, Y, Ni, X, Huang, N. | 登録日 | 2022-10-08 | 公開日 | 2023-03-22 | 実験手法 | ELECTRON MICROSCOPY (3.06 Å) | 主引用文献 | In Silico Discovery of Small Molecule Modulators Targeting the Achilles' Heel of SARS-CoV-2 Spike Protein. Acs Cent.Sci., 9, 2023
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8DSU
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8FA1
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8FA2
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8HHT
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![BU of 8hht by Molmil](/molmil-images/mine/8hht) | Crystal structure of the SARS-CoV-2 main protease in complex with Hit-1 | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide | 著者 | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | 登録日 | 2022-11-17 | 公開日 | 2023-03-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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8HHU
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![BU of 8hhu by Molmil](/molmil-images/mine/8hhu) | Crystal structure of the SARS-CoV-2 main protease in complex with SY110 | 分子名称: | (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5 | 著者 | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | 登録日 | 2022-11-17 | 公開日 | 2023-03-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.258 Å) | 主引用文献 | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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8DZB
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![BU of 8dzb by Molmil](/molmil-images/mine/8dzb) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor 11 | 分子名称: | 3C-like proteinase nsp5, GLYCEROL, benzyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidin-3-yl}carbamate | 著者 | Sacco, M, Chen, Y. | 登録日 | 2022-08-06 | 公開日 | 2023-04-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Development of the Safe and Broad-Spectrum Aldehyde and Ketoamide Mpro inhibitors Derived from the Constrained alpha , gamma-AA Peptide Scaffold. Chemistry, 29, 2023
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8DZC
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![BU of 8dzc by Molmil](/molmil-images/mine/8dzc) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor 17 | 分子名称: | (3,5-difluorophenyl)methyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-6-oxopiperidin-3-yl}carbamate, 3C-like proteinase nsp5, GLYCEROL | 著者 | Sacco, M, Chen, Y. | 登録日 | 2022-08-06 | 公開日 | 2023-04-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Development of the Safe and Broad-Spectrum Aldehyde and Ketoamide Mpro inhibitors Derived from the Constrained alpha , gamma-AA Peptide Scaffold. Chemistry, 29, 2023
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8EUA
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![BU of 8eua by Molmil](/molmil-images/mine/8eua) | Structure of SARS-CoV2 PLpro bound to a covalent inhibitor | 分子名称: | Papain-like protease nsp3, SULFATE ION, ZINC ION, ... | 著者 | Mathews, I.I, Pokhrel, S, Wakatsuki, S. | 登録日 | 2022-10-18 | 公開日 | 2023-04-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Potent and selective covalent inhibition of the papain-like protease from SARS-CoV-2. Nat Commun, 14, 2023
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8FU7
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![BU of 8fu7 by Molmil](/molmil-images/mine/8fu7) | Structure of Covid Spike variant deltaN135 in fully closed form | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | 著者 | Yu, X, Juraszek, J, Rutten, L, Bakkers, M.J.G, Blokland, S, Van den Broek, N.J.F, Verwilligen, A.Y.W, Abeywickrema, P, Vingerhoets, J, Neefs, J, Bakhash, S.A.M, Roychoudhury, P, Greninger, A, Sharma, S, Langedijk, J.P.M. | 登録日 | 2023-01-16 | 公開日 | 2023-04-05 | 最終更新日 | 2024-04-24 | 実験手法 | ELECTRON MICROSCOPY (3.21 Å) | 主引用文献 | Convergence of immune escape strategies highlights plasticity of SARS-CoV-2 spike. Plos Pathog., 19, 2023
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