8DZ0
| Crystal Structure of SARS-CoV-2 Main protease in complex with Ensitrelvir | 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, DIMETHYL SULFOXIDE | 著者 | Noske, G.D, Oliva, G, Godoy, A.S. | 登録日 | 2022-08-06 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease. J.Biol.Chem., 299, 2023
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8DZA
| Crystal Structure of SARS-CoV-2 Main protease A193T mutant 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, DIMETHYL SULFOXIDE | 著者 | Noske, G.D, Oliva, G, Godoy, A.S. | 登録日 | 2022-08-06 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.961 Å) | 主引用文献 | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease. J.Biol.Chem., 299, 2023
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8DZ1
| Crystal Structure of SARS-CoV-2 Main protease mutant M49I in complex with Ensitrelvir | 分子名称: | 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, DIMETHYL SULFOXIDE, Replicase polyprotein 1ab | 著者 | Noske, G.D, Oliva, G, Godoy, A.S. | 登録日 | 2022-08-06 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease. J.Biol.Chem., 299, 2023
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8DZ6
| Crystal Structure of SARS-CoV-2 Main protease mutant Q189K 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, DIMETHYL SULFOXIDE | 著者 | Noske, G.D, Oliva, G, Godoy, A.S. | 登録日 | 2022-08-06 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.366 Å) | 主引用文献 | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease. J.Biol.Chem., 299, 2023
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8DZ2
| Crystal Structure of 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, DIMETHYL SULFOXIDE | 著者 | Noske, G.D, Oliva, G, Godoy, A.S. | 登録日 | 2022-08-06 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.129 Å) | 主引用文献 | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease. J.Biol.Chem., 299, 2023
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8A4T
| crystal structures of diastereomer (S,S,S)-13b (13b-K) in complex with the SARS-CoV-2 Mpro | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | 著者 | Ibrahim, M, Hilgenfeld, R, Zhang, L. | 登録日 | 2022-06-13 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Diastereomeric Resolution Yields Highly Potent Inhibitor of SARS-CoV-2 Main Protease. J.Med.Chem., 65, 2022
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8A4Q
| crystal structures of diastereomer (R,S,S)-13b (13b-H) in complex with the SARS-CoV-2 Mpro. | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Ibrahim, M, Hilgenfeld, R, Zhang, L. | 登録日 | 2022-06-13 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Diastereomeric Resolution Yields Highly Potent Inhibitor of SARS-CoV-2 Main Protease. J.Med.Chem., 65, 2022
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8E26
| Crystal Structure of SARS-CoV-2 Main Protease N142S mutant 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, DIMETHYL SULFOXIDE | 著者 | Noske, G.D, Godoy, A.S, Oliva, G. | 登録日 | 2022-08-14 | 公開日 | 2022-10-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.845 Å) | 主引用文献 | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease. J.Biol.Chem., 299, 2023
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8E25
| Crystal Structure of SARS-CoV-2 Main Protease M49I mutant 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, DIMETHYL SULFOXIDE, Replicase polyprotein 1ab | 著者 | Noske, G.D, Godoy, A.S, Oliva, G. | 登録日 | 2022-08-14 | 公開日 | 2022-10-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.868 Å) | 主引用文献 | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease. J.Biol.Chem., 299, 2023
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7TLT
| SARS-CoV-2 Spike-derived peptide S489-497 (YFPLQSYGF) presented by HLA-A*29:02 | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ... | 著者 | Murdolo, L.D, Szeto, C, Gras, S. | 登録日 | 2022-01-18 | 公開日 | 2022-10-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Ablation of CD8 + T cell recognition of an immunodominant epitope in SARS-CoV-2 Omicron variants BA.1, BA.2 and BA.3. Nat Commun, 13, 2022
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7MAZ
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7MB3
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7MAT
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7MB2
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7MB1
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7MAW
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7MAV
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7MAX
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7MAU
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7MB0
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7ZCE
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7Z39
| Structure of Belumosudil bound to CK2alpha | 分子名称: | 2-[3-[4-(1~{H}-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-~{N}-propan-2-yl-ethanamide, ACETATE ION, Casein kinase II subunit alpha, ... | 著者 | Brear, P, Hyvonen, M. | 登録日 | 2022-03-01 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal structure of the Rho-associated coiled-coil kinase 2 inhibitor belumosudil bound to CK2 alpha. Acta Crystallogr.,Sect.F, 78, 2022
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7ZCF
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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 | 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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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 | 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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