8WZQ
 
 | | Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with CCF0058981 | | Descriptor: | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide, 3C-like proteinase nsp5 | | Authors: | Zou, X.F, Jiang, H.H, Zhou, X.L, Zhang, J, Li, J. | | Deposit date: | 2023-11-02 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Crystal structure of SARS-CoV-2 main protease (M pro ) mutants in complex with the non-covalent inhibitor CCF0058981.
Biochem.Biophys.Res.Commun., 692, 2024
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8HVZ
 | | Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF07304814 | | Descriptor: | 3C-like proteinase nsp5, [(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: | Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2022-12-28 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
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8HVW
 | | Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF07304814 | | Descriptor: | 3C-like proteinase nsp5, [(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: | Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2022-12-28 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
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8IG9
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8HQH
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8HVL
 | | Crystal structure of SARS-Cov-2 main protease M49I mutant 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 nsp5 | | Authors: | Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2022-12-27 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure of SARS-Cov-2 main protease
M49I mutant in complex with PF07321332
To Be Published
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8HVO
 | | Crystal structure of SARS-Cov-2 main protease V186F mutant 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 nsp5 | | Authors: | Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2022-12-27 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of SARS-Cov-2 main protease
V186F mutant in complex with PF07321332
To Be Published
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4M74
 | | Mutant structure of methyltransferase from Streptomyces hygroscopicus | | Descriptor: | (2R)-2-hydroxy-3-phenylpropanoic acid, (2S,3R)-2,3-dihydroxy-3-phenylpropanoic acid, CALCIUM ION, ... | | Authors: | Liu, Y.C, Zou, X.W, Chan, H.C, Huang, C.J, Li, T.L. | | Deposit date: | 2013-08-12 | | Release date: | 2014-06-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and mechanism of a nonhaem-iron SAM-dependent C-methyltransferase and its engineering to a hydratase and an O-methyltransferase
Acta Crystallogr.,Sect.D, 70, 2014
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8Y2T
 | | Crystal structure of 3C protease from coxsackievirus B3 | | Descriptor: | Protease 3C | | Authors: | Jiang, H.H, Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2024-01-27 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of the 3C proteases from Coxsackievirus B3 and B4.
Acta Crystallogr.,Sect.F, 80, 2024
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6QRZ
 | | Crystal structure of R2-like ligand-binding oxidase from Sulfolobus acidocaldarius solved by 3D micro-crystal electron diffraction | | Descriptor: | FE (III) ION, MANGANESE (III) ION, Ribonucleoside-diphosphate reductase | | Authors: | Xu, H, Lebrette, H, Clabbers, M.T.B, Zhao, J, Griese, J.J, Zou, X, Hogbom, M. | | Deposit date: | 2019-02-20 | | Release date: | 2019-04-24 | | Last modified: | 2024-05-15 | | Method: | ELECTRON CRYSTALLOGRAPHY (3 Å) | | Cite: | Solving a new R2lox protein structure by microcrystal electron diffraction.
Sci Adv, 5, 2019
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7MYO
 | | Cryo-EM structure of p110alpha in complex with p85alpha inhibited by BYL-719 | | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Liu, X, Yang, S, Hart, J.R, Xu, Y, Zou, X, Zhang, H, Zhou, Q, Xia, T, Zhang, Y, Yang, D, Wang, M.-W, Vogt, P.K. | | Deposit date: | 2021-05-21 | | Release date: | 2021-11-10 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7MYN
 | | Cryo-EM Structure of p110alpha in complex with p85alpha | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Liu, X, Yang, S, Hart, J.R, Xu, Y, Zou, X, Zhang, H, Zhou, Q, Xia, T, Zhang, Y, Yang, D, Wang, M.-W, Vogt, P.K. | | Deposit date: | 2021-05-21 | | Release date: | 2021-11-10 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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4UA1
 | | Crystal structure of dual function transcriptional regulator MerR form Bacillus megaterium MB1 in complex with mercury (II) ion | | Descriptor: | MERCURY (II) ION, Regulatory protein | | Authors: | Chang, C.C, Lin, L.Y, Zou, X.W, Huang, C.C, Chan, N.L. | | Deposit date: | 2014-08-07 | | Release date: | 2015-07-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Structural basis of the mercury(II)-mediated conformational switching of the dual-function transcriptional regulator MerR
Nucleic Acids Res., 43, 2015
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4UA2
 | | Crystal structure of dual function transcriptional regulator MerR from Bacillus megaterium MB1 | | Descriptor: | Regulatory protein | | Authors: | Lin, L.Y, Chang, C.C, Zou, X.W, Huang, C.C, Chan, N.L. | | Deposit date: | 2014-08-07 | | Release date: | 2015-07-22 | | Last modified: | 2020-01-29 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structural basis of the mercury(II)-mediated conformational switching of the dual-function transcriptional regulator MerR
Nucleic Acids Res., 43, 2015
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8WZP
 | | Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with CCF0058981 | | Descriptor: | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide, 3C-like proteinase nsp5 | | Authors: | Jiang, H.H, Zou, X.F, Zhou, X.L, Zhang, J, Li, J. | | Deposit date: | 2023-11-02 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Crystal structure of SARS-CoV-2 main protease (M pro ) mutants in complex with the non-covalent inhibitor CCF0058981.
Biochem.Biophys.Res.Commun., 692, 2024
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8J3A
 | | Crystal structure of SARS-Cov-2 main protease Y54C 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 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Crystal structure of SARS-Cov-2 main protease
Y54C mutant in complex with PF00835231
To Be Published
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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: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Crystal structure of SARS-Cov-2 main protease
K90R mutant in complex with PF00835231
To Be Published
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8J35
 | | Crystal structure of SARS-Cov-2 main protease G15S 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 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Crystal structure of SARS-Cov-2 main protease
G15S mutant in complex with PF00835231
To Be Published
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8J32
 | | Crystal structure of SARS-Cov-2 main protease 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: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal structure of SARS-Cov-2 main protease in complex with PF00835231
To Be Published
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8J38
 | | Crystal structure of SARS-Cov-2 main protease P132H 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 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Crystal structure of SARS-Cov-2 main protease
P132H mutant in complex with PF00835231
To Be Published
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8J3B
 | | Crystal structure of SARS-Cov-2 main protease S46F 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 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of SARS-Cov-2 main protease
S46F mutant in complex with PF00835231
To Be Published
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8J39
 | | Crystal structure of SARS-Cov-2 main protease V186F 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: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Crystal structure of SARS-Cov-2 main protease
V186F mutant in complex with PF00835231
To Be Published
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8J36
 | | Crystal structure of SARS-Cov-2 main protease M49I 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: | 2024-05-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal structure of SARS-Cov-2 main protease
M49I mutant in complex with PF00835231
To Be Published
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5OCV
 | | A Rare Lysozyme Crystal Form Solved Using High-Redundancy 3D Electron Diffraction Data from Micron-Sized Needle Shaped Crystals | | Descriptor: | Lysozyme C, SODIUM ION | | Authors: | Xu, H, Lebrette, H, Yang, T, Srinivas, V, Hovmoller, S, Hogbom, M, Zou, X. | | Deposit date: | 2017-07-03 | | Release date: | 2018-03-28 | | Last modified: | 2024-01-17 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.2 Å) | | Cite: | A Rare Lysozyme Crystal Form Solved Using Highly Redundant Multiple Electron Diffraction Datasets from Micron-Sized Crystals.
Structure, 26, 2018
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8J34
 | | Crystal structure of MERS main protease in complex with PF00835231 | | Descriptor: | 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, ORF1a | | Authors: | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2023-04-16 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of MERS main protease in complex with PF00835231
To Be Published
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