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8HQG
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BU of 8hqg by Molmil
Crystal structure of SARS-Cov-2 main protease K90R mutant 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:Wang, J, Zhang, J, Li, J.
Deposit date:2022-12-13
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with inhibitor YH-53
To Be Published
8HVM
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BU of 8hvm by Molmil
Crystal structure of SARS-Cov-2 main protease K90R 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:Wang, J, Zhang, J, Li, J.
Deposit date:2022-12-27
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with PF07321332
To Be Published
8HVY
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BU of 8hvy by Molmil
Crystal structure of SARS-Cov-2 main protease K90R 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:Wang, J, Zhang, J, Li, J.
Deposit date:2022-12-28
Release date:2024-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
6ZRK
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BU of 6zrk by Molmil
Crystal structure of H8 haemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Xiong, X, Walker, P, Zhang, J, Gamblin, S, Skehel, J.J.
Deposit date:2020-07-13
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Hemagglutinin Structure and Activities.
Cold Spring Harb Perspect Med, 11, 2021
7A9D
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BU of 7a9d by Molmil
Crystal structure of H12 Haemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
Authors:Xiong, X, Walker, P, Zhang, J, Gamblin, S, Skehel, J.J.
Deposit date:2020-09-01
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Hemagglutinin Structure and Activities.
Cold Spring Harb Perspect Med, 11, 2021
7EO7
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BU of 7eo7 by Molmil
Crystal structure of HCoV-NL63 3C-like 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:Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J.
Deposit date:2021-04-21
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.24916625 Å)
Cite:Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
7EO8
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BU of 7eo8 by Molmil
Crystal structure of SARS coronavirus 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: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:2021-04-21
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2808516 Å)
Cite:Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
3IZJ
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BU of 3izj by Molmil
Mm-cpn rls with ATP and AlFx
Descriptor: Chaperonin
Authors:Douglas, N.R, Reissmann, S, Zhang, J, Chen, B, Jakana, J, Kumar, R, Chiu, W, Frydman, J.
Deposit date:2010-10-29
Release date:2011-02-02
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (6.9 Å)
Cite:Dual Action of ATP Hydrolysis Couples Lid Closure to Substrate Release into the Group II Chaperonin Chamber.
Cell(Cambridge,Mass.), 144, 2011
8IGA
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BU of 8iga by Molmil
Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with GC376
Descriptor: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Wang, J, Zhang, J, Li, J.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
2L89
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BU of 2l89 by Molmil
Solution structure of Pdp1 PWWP domain reveals its unique binding sites for methylated H4K20 and DNA
Descriptor: PWWP domain-containing protein 1
Authors:Qiu, Y, Zhang, J, Zhang, W.
Deposit date:2011-01-07
Release date:2011-12-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of Pdp1 PWWP domain reveals its unique binding sites for methylated H4K20 and DNA
Biochem.J., 2011
3EMN
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BU of 3emn by Molmil
The Crystal Structure of Mouse VDAC1 at 2.3 A resolution
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Voltage-dependent anion-selective channel protein 1
Authors:Ujwal, R, Cascio, D, Colletier, J.-P, Faham, S, Zhang, J, Toro, L, Ping, P, Abramson, J.
Deposit date:2008-09-24
Release date:2008-12-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of mouse VDAC1 at 2.3 A resolution reveals mechanistic insights into metabolite gating
Proc.Natl.Acad.Sci.USA, 105, 2008
3IZI
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BU of 3izi by Molmil
Mm-cpn rls with ATP
Descriptor: Chaperonin
Authors:Douglas, N.R, Reissmann, S, Zhang, J, Chen, B, Jakana, J, Kumar, R, Chiu, W, Frydman, J.
Deposit date:2010-10-29
Release date:2011-02-02
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (6.7 Å)
Cite:Dual Action of ATP Hydrolysis Couples Lid Closure to Substrate Release into the Group II Chaperonin Chamber.
Cell(Cambridge,Mass.), 144, 2011
3IZH
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BU of 3izh by Molmil
Mm-cpn D386A with ATP
Descriptor: Chaperonin
Authors:Douglas, N.R, Reissmann, S, Zhang, J, Chen, B, Jakana, J, Kumar, R, Chiu, W, Frydman, J.
Deposit date:2010-10-29
Release date:2011-02-02
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (11 Å)
Cite:Dual Action of ATP Hydrolysis Couples Lid Closure to Substrate Release into the Group II Chaperonin Chamber.
Cell(Cambridge,Mass.), 144, 2011
3IZM
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BU of 3izm by Molmil
Mm-cpn wildtype with ATP
Descriptor: Chaperonin
Authors:Douglas, N.R, Reissmann, S, Zhang, J, Chen, B, Jakana, J, Kumar, R, Chiu, W, Frydman, J.
Deposit date:2010-10-30
Release date:2011-02-02
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (7.2 Å)
Cite:Dual Action of ATP Hydrolysis Couples Lid Closure to Substrate Release into the Group II Chaperonin Chamber.
Cell(Cambridge,Mass.), 144, 2011
7DQZ
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BU of 7dqz by Molmil
Crystal structure of SARS 3C-like protease in apo form
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:2020-12-24
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
3IZL
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BU of 3izl by Molmil
Mm-cpn rls deltalid with ATP and AlFx
Descriptor: Mm-cpn rls deltalid
Authors:Douglas, N.R, Reissmann, S, Zhang, J, Chen, B, Jakana, J, Kumar, R, Chiu, W, Frydman, J.
Deposit date:2010-10-29
Release date:2011-02-02
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Dual Action of ATP Hydrolysis Couples Lid Closure to Substrate Release into the Group II Chaperonin Chamber.
Cell(Cambridge,Mass.), 144, 2011
3IZN
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BU of 3izn by Molmil
Mm-cpn deltalid with ATP
Descriptor: Chaperonin
Authors:Douglas, N.R, Reissmann, S, Zhang, J, Chen, B, Jakana, J, Kumar, R, Chiu, W, Frydman, J.
Deposit date:2010-10-30
Release date:2011-02-02
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Dual Action of ATP Hydrolysis Couples Lid Closure to Substrate Release into the Group II Chaperonin Chamber.
Cell(Cambridge,Mass.), 144, 2011
3IZK
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BU of 3izk by Molmil
Mm-cpn rls deltalid with ATP
Descriptor: Chaperonin
Authors:Douglas, N.R, Reissmann, S, Zhang, J, Chen, B, Jakana, J, Kumar, R, Chiu, W, Frydman, J.
Deposit date:2010-10-29
Release date:2011-02-02
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Dual Action of ATP Hydrolysis Couples Lid Closure to Substrate Release into the Group II Chaperonin Chamber.
Cell(Cambridge,Mass.), 144, 2011
4R0X
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BU of 4r0x by Molmil
Allosteric coupling of conformational transitions in the FK1 domain of FKBP51 near the site of steroid receptor interaction
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:LeMaster, D.M, Mustafi, S.M, Brecher, M, Zhang, J, Heroux, A, Li, H.M, Hernandez, G.
Deposit date:2014-08-02
Release date:2015-05-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Coupling of Conformational Transitions in the N-terminal Domain of the 51-kDa FK506-binding Protein (FKBP51) Near Its Site of Interaction with the Steroid Receptor Proteins.
J.Biol.Chem., 290, 2015
5Z96
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BU of 5z96 by Molmil
Structure of the mouse TRPC4 ion channel
Descriptor: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ...
Authors:Duan, J, Li, Z, Li, J, Zhang, J.
Deposit date:2018-02-02
Release date:2018-04-18
Last modified:2018-08-29
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Structure of the mouse TRPC4 ion channel.
Nat Commun, 9, 2018
5Z6P
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BU of 5z6p by Molmil
The crystal structure of an agarase, AgWH50C
Descriptor: B-agarase
Authors:Mao, X, Zhou, J, Zhang, P, Zhang, L, Zhang, J, Li, Y.
Deposit date:2018-01-24
Release date:2019-01-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.061 Å)
Cite:Structure-based design of agarase AgWH50C from Agarivorans gilvus WH0801 to enhance thermostability.
Appl. Microbiol. Biotechnol., 103, 2019
8HUW
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BU of 8huw by Molmil
Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with S217622
Descriptor: 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
Authors:Wang, J, Zhang, J, Li, J.
Deposit date:2022-12-24
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
8HVU
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BU of 8hvu by Molmil
Crystal structure of SARS-Cov-2 main protease G15S 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:Zeng, P, Zhang, J, Li, J.
Deposit date:2022-12-28
Release date:2024-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
8HVX
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BU of 8hvx by Molmil
Crystal structure of SARS-Cov-2 main protease Y54C 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:Zhou, X.L, Zhang, J, Li, J.
Deposit date:2022-12-28
Release date:2024-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
8HVV
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BU of 8hvv by Molmil
Crystal structure of SARS-Cov-2 main protease S46F 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:Zeng, X.Y, Zhang, J, Li, J.
Deposit date:2022-12-28
Release date:2024-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 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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