7C2Y
 
 | | The crystal structure of COVID-2019 main protease in the apo state | | Descriptor: | 3C-like proteinase | | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Zhou, H, Hu, X.H, Wang, Q.S, Li, J, Zhang, J. | | Deposit date: | 2020-05-10 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | COVID-2019 main protease in the apo state
To Be Published
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7F42
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7VBF
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7VBE
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8WSH
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8Y4D
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7DR8
 | | Crystal structure of MERS-CoV 3CL protease in spacegroup P212121 | | Descriptor: | 3C-like proteinase | | Authors: | Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J. | | Deposit date: | 2020-12-26 | | Release date: | 2021-12-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.338149 Å) | | Cite: | Crystal structure of MERS-CoV 3CL protease in spacegroup P212121
To Be Published
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7YDG
 | | Crystal structure of human SARS2 catalytic domain with a disease related mutation | | Descriptor: | Serine--tRNA ligase, mitochondrial | | Authors: | Wu, S, Li, P, Zhou, X.L, Fang, P. | | Deposit date: | 2022-07-04 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Selective degradation of tRNASer(AGY) is the primary driver for mitochondrial seryl-tRNA synthetase-related disease.
Nucleic Acids Res., 50, 2022
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7YDF
 | | Crystal structure of human SARS2 catalytic domain | | Descriptor: | Serine--tRNA ligase, mitochondrial | | Authors: | Wu, S, Li, P, Zhou, X.L, Fang, P. | | Deposit date: | 2022-07-04 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Selective degradation of tRNASer(AGY) is the primary driver for mitochondrial seryl-tRNA synthetase-related disease.
Nucleic Acids Res., 50, 2022
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7VBD
 | | Crystal structure of SARS-Cov-2 nucleocapsid N-terminal domain (NTD) protein,pH8.0 | | Descriptor: | Nucleoprotein | | Authors: | Zeng, P, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J. | | Deposit date: | 2021-08-31 | | Release date: | 2022-08-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Crystal structure of SARS-Cov-2 nucleocapsid N-terminal domain (NTD) protein,pH8.0
To Be Published
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7WQI
 | | Crystal structure of SARS coronavirus main protease in complex with PF07304814 | | Descriptor: | 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | | Authors: | Lin, C, Zhong, F.L, Zhou, X.L, Zeng, P, Zhang, J, Li, J. | | Deposit date: | 2022-01-25 | | Release date: | 2023-01-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal structure of SARS coronavirus main protease in complex with PF07304814
To Be Published
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8WSJ
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8WSK
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8WSI
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7DRA
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7C2Q
 | | The crystal structure of COVID-19 main protease in the apo state | | Descriptor: | 3C-like proteinase | | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Hu, X.H, Zhou, H, Wang, Q.S, Li, j, Zhang, J. | | Deposit date: | 2020-05-08 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structure of SARS-CoV-2 main protease in the apo state.
Sci China Life Sci, 64, 2021
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9LUF
 | | Crystal structure of SARS-Cov-2 main protease S144A mutant in complex with Bofutrelvir | | Descriptor: | ORF1a polyprotein, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | | Authors: | Zhou, X.L, Li, J. | | Deposit date: | 2025-02-08 | | Release date: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Inhibitory efficacy and structural insights of Bofutrelvir against SARS-CoV-2 M pro mutants and MERS-CoV M pro.
Commun Biol, 8, 2025
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9INL
 | | Crystal structure of SARS-Cov-2 main protease E166R mutant in complex with Bofutrelvir | | Descriptor: | Replicase polyprotein 1a, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | | Authors: | Zhou, X.L, Li, J. | | Deposit date: | 2024-07-08 | | Release date: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Inhibitory efficacy and structural insights of Bofutrelvir against SARS-CoV-2 M pro mutants and MERS-CoV M pro.
Commun Biol, 8, 2025
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9LUG
 | | Crystal structure of SARS-Cov-2 main protease E166V mutant in complex with Bofutrelvir | | Descriptor: | ORF1a polyprotein, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | | Authors: | Zhou, X.L, Li, J. | | Deposit date: | 2025-02-08 | | Release date: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Inhibitory efficacy and structural insights of Bofutrelvir against SARS-CoV-2 M pro mutants and MERS-CoV M pro.
Commun Biol, 8, 2025
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7CA8
 | | The crystal structure of COVID-19 main protease in complex with an inhibitor Shikonin | | Descriptor: | 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase | | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Li, J, Zhang, J. | | Deposit date: | 2020-06-08 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of SARS-CoV-2 main protease in complex with the natural product inhibitor shikonin illuminates a unique binding mode.
Sci Bull (Beijing), 66, 2021
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8YKJ
 | | Crystal structure of SARS-Cov-2 main protease in complex with X77 | | Descriptor: | N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide, Non-structural protein 11 | | Authors: | Zhou, X.L, Lin, C, Li, W.W, Zhang, J, Li, J. | | Deposit date: | 2024-03-05 | | Release date: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Crystal structures of coronaviral main proteases in complex with the non-covalent inhibitor X77.
Int.J.Biol.Macromol., 276, 2024
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8YKL
 | | Crystal structure of MERS main protease in complex with X77 | | Descriptor: | N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide, ORF1a | | Authors: | Zhou, X.L, Lin, C, Zhang, J, Li, J. | | Deposit date: | 2024-03-05 | | Release date: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal structures of coronaviral main proteases in complex with the non-covalent inhibitor X77.
Int.J.Biol.Macromol., 276, 2024
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8YKK
 | | Crystal structure of SARS main protease in complex with X77 | | Descriptor: | 3C-like proteinase nsp5, N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide | | Authors: | Zhou, X.L, Lin, C, Zhang, J, Li, J. | | Deposit date: | 2024-03-05 | | Release date: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of coronaviral main proteases in complex with the non-covalent inhibitor X77.
Int.J.Biol.Macromol., 276, 2024
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8YWY
 | | Crystal structure of SARS-Cov-2 main protease E166N mutant in complex with Bofutrelvir | | Descriptor: | 3C-like proteinase nsp5, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | | Authors: | Zhou, X.L, Wang, W.W, Zhang, J, Li, J. | | Deposit date: | 2024-04-01 | | Release date: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Inhibitory efficacy and structural insights of Bofutrelvir against SARS-CoV-2 M pro mutants and MERS-CoV M pro.
Commun Biol, 8, 2025
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8J37
 | | Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with PF00835231 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2023-04-16 | | Release date: | 2024-04-17 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structural basis for the inhibition of coronaviral main proteases by PF-00835231.
Acta Biochim.Biophys.Sin., 56, 2024
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