5SPW
 
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with FRESH00004674769 - (R,S,R) isomer | | 分子名称: | (1R,5S,6R)-3-(7H-purin-6-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid, Non-structural protein 3 | | 著者 | Correy, G.J, Fraser, J.S. | | 登録日 | 2022-06-09 | | 公開日 | 2022-07-13 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5SOJ
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5SRK
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5SRL
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5SRO
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5SOQ
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5SOI
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8D8R
 | | SARS-CoV-2 Spike RBD in complex with DMAb 2196 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2196 heavy chain, 2196 light chain, ... | | 著者 | Du, J, Cui, J, Pallesen, J. | | 登録日 | 2022-06-08 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | DNA-delivered antibody cocktail exhibits improved pharmacokinetics and confers prophylactic protection against SARS-CoV-2.
Nat Commun, 13, 2022
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8D8Q
 | | SARS-CoV-2 Spike RBD in complex with DMAbs 2130 and 2196 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2130 heavy chain, 2130 light chain, ... | | 著者 | Du, J, Cui, J, Pallesen, J. | | 登録日 | 2022-06-08 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | | 主引用文献 | DNA-delivered antibody cocktail exhibits improved pharmacokinetics and confers prophylactic protection against SARS-CoV-2.
Nat Commun, 13, 2022
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8D6Z
 | | Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV91-27 | | 分子名称: | Neutralizing antibody COV91-27 heavy chain, Neutralizing antibody COV91-27 light chain, Spike protein S2 fusion peptide | | 著者 | Lee, C.C.D, Lin, T.H, Yuan, M, Wilson, I.A. | | 登録日 | 2022-06-06 | | 公開日 | 2022-07-27 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
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8D4P
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8D36
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7XXL
 | | RBD in complex with Fab14 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab14 heavy chain, Fab14 light chain, ... | | 著者 | Lin, J.Q, Tan, Y.J.E, Wu, B, Lescar, J. | | 登録日 | 2022-05-30 | | 公開日 | 2022-09-14 | | 最終更新日 | 2022-10-05 | | 実験手法 | ELECTRON MICROSCOPY (7.3 Å) | | 主引用文献 | Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
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8CZV
 | | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 17d | | 分子名称: | 3C-like proteinase, [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | | 著者 | Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | 登録日 | 2022-05-25 | | 公開日 | 2022-06-22 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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8CZU
 | | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 16d | | 分子名称: | 3C-like proteinase, [(1~{S},2~{S})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | | 著者 | Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | 登録日 | 2022-05-25 | | 公開日 | 2022-06-22 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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8CZT
 | | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 15d | | 分子名称: | 3C-like proteinase, [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | | 著者 | Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | 登録日 | 2022-05-25 | | 公開日 | 2022-06-22 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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8CZX
 | | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 17d | | 分子名称: | 3C-like proteinase, TETRAETHYLENE GLYCOL, [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, ... | | 著者 | Machen, A.J, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | 登録日 | 2022-05-25 | | 公開日 | 2022-06-22 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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8CZW
 | | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 15d | | 分子名称: | 3C-like proteinase, TETRAETHYLENE GLYCOL, [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, ... | | 著者 | Machen, A.J, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | 登録日 | 2022-05-25 | | 公開日 | 2022-06-22 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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8CZ7
 | | Crystal structure of SARS-CoV-2 Mpro with compound C2 | | 分子名称: | 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-(4-methoxyphenyl)acetamide | | 著者 | Worrall, L.J, Lee, J, Strynadka, N.C.J. | | 登録日 | 2022-05-24 | | 公開日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
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8CYZ
 | | Crystal structure of SARS-CoV-2 Mpro with compound C4 | | 分子名称: | 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-[4-(methylsulfanyl)phenyl]acetamide | | 著者 | Worrall, L.J, Lee, J, Strynadka, N.C.J. | | 登録日 | 2022-05-24 | | 公開日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
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8CYU
 | | Crystal structure of SARS-CoV-2 Mpro with compound C5 | | 分子名称: | 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)acetamide | | 著者 | Worrall, L.J, Lee, J, Strynadka, N.C.J. | | 登録日 | 2022-05-24 | | 公開日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
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8CZ4
 | | Crystal structure of SARS-CoV-2 Mpro with compound C3 | | 分子名称: | 3C-like proteinase, N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)acetamide | | 著者 | Worrall, L.J, Lee, J, Strynadka, N.C.J. | | 登録日 | 2022-05-24 | | 公開日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
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7XV7
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7XSW
 | | Structure of SARS-CoV-2 antibody S309 with GX/P2V/2017 RBD | | 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, S309 Heavy Chain, S309 Lambda Chain, ... | | 著者 | Jia, Y.F, Chai, Y, Wang, Q.H, Gao, G.F. | | 登録日 | 2022-05-15 | | 公開日 | 2023-01-11 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Cross-reaction of current available SARS-CoV-2 MAbs against the pangolin-origin coronavirus GX/P2V/2017.
Cell Rep, 41, 2022
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8CSJ
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