7Q3R
 
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7SJ0
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8EYJ
 | | Crystal Structure of uncleaved SARS-CoV-2 Main Protease C145S 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 | | 著者 | Noske, G.D, Godoy, A.S, Oliva, G. | | 登録日 | 2022-10-27 | | 公開日 | 2022-11-16 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.738 Å) | | 主引用文献 | An in-solution snapshot of SARS-COV-2 main protease maturation process and inhibition.
Nat Commun, 14, 2023
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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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7Q5F
 | | Crystal structure of F2F-2020216-01X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | | 分子名称: | (S)-1-(2-(2,4-dichlorophenoxy)acetyl)-N-((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 3C-like proteinase, ... | | 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 (1.72 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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7S83
 | | Crystal structure of SARS CoV-2 Spike Receptor Binding Domain in complex with shark neutralizing VNARs ShAb01 and ShAb02 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ShAb01 VNAR, ... | | 著者 | Chen, W.-H, Hajduczki, A, Dooley, H.M, Joyce, M.G. | | 登録日 | 2021-09-17 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Shark nanobodies with potent SARS-CoV-2 neutralizing activity and broad sarbecovirus reactivity.
Nat Commun, 14, 2023
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7SIS
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7SWW
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7SWX
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7U9O
 | | SARS-CoV-2 spike trimer RBD in complex with Fab NE12 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NE12 Fab heavy chain, NE12 Fab light chain, ... | | 著者 | Tsybovsky, Y, Kwong, P.D, Farci, P. | | 登録日 | 2022-03-11 | | 公開日 | 2022-11-23 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Potent monoclonal antibodies neutralize Omicron sublineages and other SARS-CoV-2 variants.
Cell Rep, 41, 2022
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7U9P
 | | SARS-CoV-2 spike trimer RBD in complex with Fab NA8 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NA8 Fab heavy chain, NA8 Fab light chain, ... | | 著者 | Tsybovsky, Y, Kwong, P.D, Farci, P. | | 登録日 | 2022-03-11 | | 公開日 | 2022-11-23 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Potent monoclonal antibodies neutralize Omicron sublineages and other SARS-CoV-2 variants.
Cell Rep, 41, 2022
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7WXZ
 | | Crystal structure of the recombinant protein HR121 from the S2 protein of SARS-CoV-2 | | 分子名称: | Spike protein S2' | | 著者 | Zheng, Y.T, Ouyang, S, Pang, W, Lu, Y, Zhao, Y.B. | | 登録日 | 2022-02-15 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | A variant-proof SARS-CoV-2 vaccine targeting HR1 domain in S2 subunit of spike protein.
Cell Res., 32, 2022
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7XC3
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7XC4
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain 3 (SARS-unique domain-M) in complex with Oxaprozin | | 分子名称: | 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid, Papain-like protease nsp3 | | 著者 | Li, J, Liu, Y, Gao, J, Ruan, K. | | 登録日 | 2022-03-22 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Two Binding Sites of SARS-CoV-2 Macrodomain 3 Probed by Oxaprozin and Meclomen.
J.Med.Chem., 65, 2022
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7XMX
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7XMZ
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7XST
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8A4Y
 | | SARS-CoV-2 non-structural protein-1 (nsp1) in complex with N-(2,3-dihydro-1H-inden-5-yl)acetamide | | 分子名称: | Host translation inhibitor nsp1, N-(2,3-dihydro-1H-inden-5-yl)acetamide | | 著者 | Borsatto, A, Galdadas, I, Ma, S, Damfo, S, Haider, S, Kozielski, F, Estarellas, C, Gervasio, F.L. | | 登録日 | 2022-06-13 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.099 Å) | | 主引用文献 | Revealing druggable cryptic pockets in the Nsp1 of SARS-CoV-2 and other beta-coronaviruses by simulations and crystallography.
Elife, 11, 2022
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8A55
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8AYS
 | | SARS-CoV-2 non-structural protein-1 (nsp1) in complex with 4-(2-aminothiazol-4-yl)phenol | | 分子名称: | 4-(2-amino-1,3-thiazol-4-yl)phenol, Host translation inhibitor nsp1 | | 著者 | Ma, S, Damfo, S, Pinotsis, N, Bowler, M.W, Kozielski, F. | | 登録日 | 2022-09-03 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Two Ligand-Binding Sites on SARS-CoV-2 Non-Structural Protein 1 Revealed by Fragment-Based X-ray Screening.
Int J Mol Sci, 23, 2022
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8AZ8
 | | SARS-CoV-2 non-structural protein-1 (nsp1) in complex with 2-(benzylamino)ethan-1-ol | | 分子名称: | 2-[(phenylmethyl)amino]ethanol, Host translation inhibitor nsp1 | | 著者 | Ma, S, Damfo, S, Pinotsis, N, Bowler, M.W, Kozielski, F. | | 登録日 | 2022-09-05 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Two Ligand-Binding Sites on SARS-CoV-2 Non-Structural Protein 1 Revealed by Fragment-Based X-ray Screening.
Int J Mol Sci, 23, 2022
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8BH5
 | | SARS-CoV-2 BA.2.12.1 RBD in complex with Beta-27 Fab and C1 nanobody | | 分子名称: | Beta-27 heavy chain, Beta-27 light chain, GLYCEROL, ... | | 著者 | Huo, J, Zhou, D, Ren, J, Stuart, D.I. | | 登録日 | 2022-10-29 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Humoral responses against SARS-CoV-2 Omicron BA.2.11, BA.2.12.1 and BA.2.13 from vaccine and BA.1 serum.
Cell Discov, 8, 2022
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8DTR
 | | Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV30-14 | | 分子名称: | COV30-14 heavy chain, COV30-14 light chain, Spike protein S2' stem helix peptide | | 著者 | Lee, C.C.D, Lin, T.H, Wilson, I.A. | | 登録日 | 2022-07-26 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
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8DTT
 | | Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV93-03 | | 分子名称: | COV93-03 heavy chain, COV93-03 light chain, Spike protein S2' stem helix peptide | | 著者 | Lee, C.C.D, Lin, T.H, Wilson, I.A. | | 登録日 | 2022-07-26 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
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8DTX
 | | Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV89-22 | | 分子名称: | COV89-22 heavy chain, COV89-22 light chain, Spike protein S2' stem helix peptide | | 著者 | Lin, T.H, Lee, C.C.D, Wilson, I.A. | | 登録日 | 2022-07-26 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
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