9CDL
 
 | SARS-CoV-2 Mpro E166V/L50F double mutant in complex with small molecule inhibitor Mpro61 | 分子名称: | (5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione, 3C-like proteinase nsp5 | 著者 | Tang, S, Kenneson, J.R, Huynh, K, Anderson, K.S. | 登録日 | 2024-06-25 | 公開日 | 2025-02-05 | 最終更新日 | 2025-03-12 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (M pro ) with Noncovalent Preclinical Candidate, Mpro61. Acs Bio Med Chem Au, 5, 2025
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9CDM
 
 | SARS-CoV-2 Mpro L50F mutant in complex with small molecule inhibitor Mpro61 | 分子名称: | (5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | 著者 | Tang, S, Kenneson, J.R, Huynh, K, Anderson, K.S. | 登録日 | 2024-06-25 | 公開日 | 2025-02-05 | 最終更新日 | 2025-03-12 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (M pro ) with Noncovalent Preclinical Candidate, Mpro61. Acs Bio Med Chem Au, 5, 2025
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9G9C
 
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9G9D
 
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8XSD
 
 | BA.5 Spike complex with CR9 | 分子名称: | CR9 heavy chain, CR9 light chain, Spike glycoprotein | 著者 | Feng, L.L. | 登録日 | 2024-01-09 | 公開日 | 2025-02-12 | 実験手法 | ELECTRON MICROSCOPY (3.55 Å) | 主引用文献 | A broadly neutralizing antibody against the SARS-CoV-2 Omicron sub-variants BA.1, BA.2, BA.2.12.1, BA.4, and BA.5. Signal Transduct Target Ther, 10, 2025
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8Y42
 
 | Crystal structure of SARS-CoV-2 3CL protease (3CLpro) in complex with compound 51 | 分子名称: | 3C-like proteinase nsp5, ~{N}-[(1~{S},2~{R})-2-[[4-cyclopropyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]-2-oxidanylidene-1~{H}-quinoline-4-carboxamide | 著者 | Nie, T.Q, Su, H.X, Li, M.J, Xu, Y.C. | 登録日 | 2024-01-30 | 公開日 | 2025-02-12 | 最終更新日 | 2025-03-26 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Discovery of Novel Nonpeptidic and Noncovalent Small Molecule 3CL pro Inhibitors as anti-SARS-CoV-2 Drug Candidate. J.Med.Chem., 67, 2024
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8Y44
 
 | Crystal structure of SARS-CoV-2 3CL protease (3CLpro) in complex with compound 44 | 分子名称: | 3C-like proteinase nsp5, ~{N}-[(1~{S},2~{R})-2-[(4-bromanyl-2-morpholin-4-ylcarbonyl-6-nitro-phenyl)amino]cyclohexyl]-2-oxidanylidene-1~{H}-quinoline-4-carboxamide | 著者 | Nie, T.Q, Su, H.X, Li, M.J, Xu, Y.C. | 登録日 | 2024-01-30 | 公開日 | 2025-02-12 | 最終更新日 | 2025-03-26 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Discovery of Novel Nonpeptidic and Noncovalent Small Molecule 3CL pro Inhibitors as anti-SARS-CoV-2 Drug Candidate. J.Med.Chem., 67, 2024
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8Z6Q
 
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8Z6S
 
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8Z6U
 
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8Z6W
 
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8Z86
 
 | BA.5 RBD in complex with CR9 | 分子名称: | CR9 heavy chain, CR9 light chain, Spike protein S1 | 著者 | Feng, L.L. | 登録日 | 2024-04-21 | 公開日 | 2025-02-12 | 実験手法 | ELECTRON MICROSCOPY (3.87 Å) | 主引用文献 | A broadly neutralizing antibody against the SARS-CoV-2 Omicron sub-variants BA.1, BA.2, BA.2.12.1, BA.4, and BA.5. Signal Transduct Target Ther, 10, 2025
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9BNT
 
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9BNU
 
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9BNV
 
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9BNW
 
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9BNX
 
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9BNY
 
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9BNZ
 
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9BO0
 
 | Crystal Structure of T21I SARS-CoV-2 Main Protease in Complex with Compound Mpro61 | 分子名称: | (5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione, 3C-like proteinase | 著者 | Papini, C, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2024-05-03 | 公開日 | 2025-02-12 | 最終更新日 | 2025-03-12 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (M pro ) with Noncovalent Preclinical Candidate, Mpro61. Acs Bio Med Chem Au, 5, 2025
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9BO1
 
 | Crystal Structure of T190I SARS-CoV-2 Main Protease in Complex with Compound Mpro61 | 分子名称: | (5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione, 3C-like proteinase nsp5 | 著者 | Papini, C, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2024-05-03 | 公開日 | 2025-02-12 | 最終更新日 | 2025-03-12 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (M pro ) with Noncovalent Preclinical Candidate, Mpro61. Acs Bio Med Chem Au, 5, 2025
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9BO2
 
 | Crystal Structure of A173V/L50F SARS-CoV-2 Main Protease in Complex with Compound Mpro61 | 分子名称: | (5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione, 3C-like proteinase nsp5 | 著者 | Papini, C, Kenneson, J, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2024-05-03 | 公開日 | 2025-02-12 | 最終更新日 | 2025-03-12 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (M pro ) with Noncovalent Preclinical Candidate, Mpro61. Acs Bio Med Chem Au, 5, 2025
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9BO3
 
 | Crystal Structure of E166V SARS-CoV-2 Main Protease in Complex with Compound Mpro61 | 分子名称: | (5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione, 3C-like proteinase nsp5 | 著者 | Papini, C, Kenneson, J, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2024-05-03 | 公開日 | 2025-02-12 | 最終更新日 | 2025-03-12 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (M pro ) with Noncovalent Preclinical Candidate, Mpro61. Acs Bio Med Chem Au, 5, 2025
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9BO4
 
 | Crystal Structure of T21I SARS-CoV-2 Main Protease in Complex with Nirmatrelvir | 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, 3C-like proteinase | 著者 | Papini, C, Anderson, K.S. | 登録日 | 2024-05-03 | 公開日 | 2025-02-12 | 最終更新日 | 2025-03-12 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (M pro ) with Noncovalent Preclinical Candidate, Mpro61. Acs Bio Med Chem Au, 5, 2025
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9BO5
 
 | Crystal Structure of T190I SARS-CoV-2 Main Protease in Complex with Nirmatrelvir | 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, 3C-like proteinase nsp5 | 著者 | Papini, C, Anderson, K.S. | 登録日 | 2024-05-03 | 公開日 | 2025-02-12 | 最終更新日 | 2025-03-12 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (M pro ) with Noncovalent Preclinical Candidate, Mpro61. Acs Bio Med Chem Au, 5, 2025
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