7WQH
 
 | | Crystal structure of HCoV-NL63 main protease 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: | Zhong, F.L, Zhou, X.L, Lin, C, Zeng, P, Li, J, Zhang, J. | | Deposit date: | 2022-01-25 | | Release date: | 2022-08-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Structural Basis of Main Proteases of Coronavirus Bound to Drug Candidate PF-07304814
J.Mol.Biol., 434, 2022
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7DR9
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4Q5P
 | | Lysine-Ligated Yeast Iso-1 Cytochrome C | | Descriptor: | Cytochrome c iso-1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Amacher, J.F, Zhu, M.Q, Zhong, F, Pletneva, E.V, Madden, D.R. | | Deposit date: | 2014-04-17 | | Release date: | 2015-04-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | A Compact Structure of Cytochrome c Trapped in a Lysine-Ligated State: Loop Refolding and Functional Implications of a Conformational Switch.
J.Am.Chem.Soc., 137, 2015
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6Q2U
 | | Structure of Cytochrome C4 from Pseudomonas aeruginosa | | Descriptor: | Cytochrome c4, HEME C | | Authors: | Carpenter, J.M, Zhong, F, Pletneva, E.V, Ragusa, M.J. | | Deposit date: | 2019-08-08 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure and redox properties of the diheme electron carrier cytochrome c4from Pseudomonas aeruginosa.
J.Inorg.Biochem., 203, 2019
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4QAO
 | | Lysine-ligated cytochrome c with F82H | | Descriptor: | Cytochrome c iso-1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Amacher, J.F, Zhu, M.Q, Zhong, F, Pletneva, E.K, Madden, D.R. | | Deposit date: | 2014-05-05 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.103 Å) | | Cite: | Understanding PDZ Affinity and Selectivity: All Residues Considered
Thesis, 2014
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7VLQ
 | | Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P212121 | | Descriptor: | (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 | | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Zhang, J, Li, J. | | Deposit date: | 2021-10-05 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.939106 Å) | | Cite: | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
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7VLO
 | | Crystal structure of SARS coronavirus main protease in complex with PF07321332 | | Descriptor: | (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 | | Authors: | Lin, C, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J. | | Deposit date: | 2021-10-05 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.0227 Å) | | Cite: | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
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7VLP
 | | Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P1211 | | Descriptor: | (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, Replicase polyprotein 1a | | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Li, J, Zhang, J. | | Deposit date: | 2021-10-05 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.50251937 Å) | | Cite: | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
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7VTC
 | | Crystal structure of MERS main protease in complex with PF07321332 | | Descriptor: | (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 | | Authors: | Lin, C, Zhong, F.L, Zhou, X.L, Zhang, J, Li, J. | | Deposit date: | 2021-10-28 | | Release date: | 2022-03-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.53865623 Å) | | Cite: | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
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7VVP
 | | Crystal structure of SARS-Cov-2 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: | Zhou, X.L, Zhong, F.L, Lin, C, Zeng, P, Zhang, J, Li, J. | | Deposit date: | 2021-11-07 | | Release date: | 2022-08-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural Basis of Main Proteases of Coronavirus Bound to Drug Candidate PF-07304814
J.Mol.Biol., 434, 2022
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7XUP
 | | Crystal structure of TPe3.0 | | Descriptor: | Transcriptional regulator, PadR-like family | | Authors: | Chen, X, Qian, J.Y, Sun, N.N, Zhong, F.R, Wu, Y.Z. | | Deposit date: | 2022-05-19 | | Release date: | 2022-09-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.602 Å) | | Cite: | Enantioselective [2+2]-cycloadditions with triplet photoenzymes.
Nature, 611, 2022
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7XUQ
 | | Crystal structure of Tpe3.0 complexed with N-Boc-3-alkenylindole | | Descriptor: | Transcriptional regulator, PadR-like family, dimethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-2-prop-2-enyl-propanedioate | | Authors: | Chen, X, Qian, J.Y, Sun, N.N, Zhong, F.R, Wu, Y.Z. | | Deposit date: | 2022-05-19 | | Release date: | 2022-09-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Enantioselective [2+2]-cycloadditions with triplet photoenzymes.
Nature, 611, 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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7VBF
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7VBE
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7XRY
 | | Crystal structure of MERS main protease in complex with inhibitor YH-53 | | Descriptor: | N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, ORF1a | | Authors: | Lin, C, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J. | | Deposit date: | 2022-05-12 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
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7XRS
 | | Crystal structure of SARS-Cov-2 main protease in complex with inhibitor YH-53 | | Descriptor: | N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, Replicase polyprotein 1a | | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Zeng, P, Zhang, J, Li, J. | | Deposit date: | 2022-05-11 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
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7YGQ
 | | Crystal structure of SARS main protease in complex with inhibitor YH-53 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Lin, C, Zhong, F.L, Zhou, X.L, Zeng, P, Zhang, J, Li, J. | | Deposit date: | 2022-07-12 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
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7E6R
 | | Crystal structure of HCoV-NL63 3C-like protease,pH5.6 | | Descriptor: | 3C-like proteinase | | Authors: | Gao, H.X, Zhang, Y.T, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J. | | Deposit date: | 2021-02-23 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of human coronavirus NL63 main protease at different pH values
Acta Crystallogr.,Sect.F, 77, 2021
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7E6L
 | | Crystal structure of HCoV-NL63 3C-like protease,pH5.0 | | Descriptor: | 3C-like proteinase | | Authors: | Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J. | | Deposit date: | 2021-02-22 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.78037143 Å) | | Cite: | Crystal structures of human coronavirus NL63 main protease at different pH values
Acta Crystallogr.,Sect.F, 77, 2021
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7E6M
 | | Crystal structure of Human coronavirus NL63 3C-like protease | | Descriptor: | 3C-like proteinase | | Authors: | Gao, H.X, Zhang, Y.T, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J. | | Deposit date: | 2021-02-22 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.83445024 Å) | | Cite: | Crystal structures of human coronavirus NL63 main protease at different pH values
Acta Crystallogr.,Sect.F, 77, 2021
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7E6N
 | | Crystal structure of HCoV-NL63 3C-like protease,pH5.2 | | Descriptor: | 3C-like proteinase | | Authors: | Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J. | | Deposit date: | 2021-02-22 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8413 Å) | | Cite: | Crystal structures of human coronavirus NL63 main protease at different pH values
Acta Crystallogr.,Sect.F, 77, 2021
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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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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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