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8IGB
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BU of 8igb by Molmil
Crystal structure of SARS-Cov-2 main protease P132H 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:Li, W.W, Zhang, J, Li, J.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IM6
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BU of 8im6 by Molmil
Crystal structure of HCoV 229E 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, Y.R, Zeng, P, Zhang, J, Li, J.
Deposit date:2023-03-06
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural basis of main proteases of HCoV-229E bound to inhibitor PF-07304814 and PF-07321332.
Biochem.Biophys.Res.Commun., 657, 2023
8HUT
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BU of 8hut by Molmil
Crystal structure of MERS main protease in complex with S217622
Descriptor: 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, ORF1a
Authors:Lin, C, Zhang, J, Li, J.
Deposit date:2022-12-24
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
8HUV
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BU of 8huv by Molmil
Crystal structure of SARS-Cov-2 main protease G15S 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:Zeng, P, Zhang, J, Li, J.
Deposit date:2022-12-24
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
8HUU
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BU of 8huu by Molmil
Crystal structure of HCoV-NL63 main protease with S217622
Descriptor: 3C-like proteinase, 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:Zeng, X.Y, Zhang, J, Li, J.
Deposit date:2022-12-24
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
8HVL
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BU of 8hvl by Molmil
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
8HVO
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BU of 8hvo by Molmil
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
8HVN
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BU of 8hvn by Molmil
Crystal structure of SARS-Cov-2 main protease P132H 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:Li, W.W, Zhang, J, Li, J.
Deposit date:2022-12-27
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with PF07321332
To Be Published
8HVK
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BU of 8hvk by Molmil
Crystal structure of SARS-Cov-2 main protease G15S 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:Zeng, P, Zhang, J, Li, J.
Deposit date:2022-12-27
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF07321332
To Be Published
8HZR
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BU of 8hzr by Molmil
Crystal structure of SARS-Cov-2 main protease S46F 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:Zeng, X.Y, Zhang, J, Li, J.
Deposit date:2023-01-09
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF07321332
To Be Published
8IO3
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BU of 8io3 by Molmil
Cryo-EM structure of human HCN3 channel with cilobradine
Descriptor: 3-[[(3~{S})-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1~{H}-3-benzazepin-4-one, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 3
Authors:Yu, B, Lu, Q.Y, Li, J, Zhang, J.
Deposit date:2023-03-10
Release date:2024-04-10
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Cryo-EM structure of human HCN3 channel with cilobradine
To Be Published
8Y2T
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BU of 8y2t by Molmil
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
8Y2U
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BU of 8y2u by Molmil
Crystal structure of 3C protease from coxsackievirus B4
Descriptor: Protease 3C
Authors:Jiang, H.H, Lin, C, Zhang, J, Li, J.
Deposit date:2024-01-27
Release date:2024-08-14
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structures of the 3C proteases from Coxsackievirus B3 and B4.
Acta Crystallogr.,Sect.F, 80, 2024
8ZQ3
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BU of 8zq3 by Molmil
Structure of ORP1L-RAB7A in the presence of GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Oxysterol-binding protein-related protein 1, Ras-related protein Rab-7a
Authors:Lu, Q, Zhang, J, Xu, C.
Deposit date:2024-05-31
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structure of GDP-bound Rab7 Q67L in complex with ORP1L.
Biochem.Biophys.Res.Commun., 725, 2024
5B88
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BU of 5b88 by Molmil
RRM-like domain of DEAD-box protein, CsdA
Descriptor: ATP-dependent RNA helicase DeaD
Authors:Xu, L, Peng, J, Zhang, J, Wu, J, Tang, Y, Shi, Y.
Deposit date:2016-06-13
Release date:2017-05-31
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Insights into the Structure of Dimeric RNA Helicase CsdA and Indispensable Role of Its C-Terminal Regions.
Structure, 25, 2017
5C90
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BU of 5c90 by Molmil
Staphylococcus aureus ClpP mutant - Y63A
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit
Authors:Ye, F, Liu, H, Zhang, J, Gan, J, Yang, C.-G.
Deposit date:2015-06-26
Release date:2016-05-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Characterization of Gain-of-Function Mutant Provides New Insights into ClpP Structure
Acs Chem.Biol., 11, 2016
5IZ8
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BU of 5iz8 by Molmil
Protein-protein interaction
Descriptor: ACE-ALA-GLY-GLU-ALA-LEU-ALA-ASP-NH2, Adenomatous polyposis coli protein, TRIETHYLENE GLYCOL
Authors:Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J.
Deposit date:2016-03-25
Release date:2017-07-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
5IZA
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BU of 5iza by Molmil
Protein-protein interaction
Descriptor: ACE-GLY-GLY-GLU-ALA-LEU-ALA-TRP-NH2, Adenomatous polyposis coli protein
Authors:Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J.
Deposit date:2016-03-25
Release date:2017-07-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
5B6G
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BU of 5b6g by Molmil
Protein-protein interaction
Descriptor: Adenomatous polyposis coli protein, GLYCEROL, PHQ-ALA-GLY-GLU-ALA-XYC-TYR-GLU, ...
Authors:Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J.
Deposit date:2016-05-27
Release date:2017-05-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
5IZ6
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BU of 5iz6 by Molmil
Protein-protein interaction
Descriptor: Adenomatous polyposis coli protein, DI(HYDROXYETHYL)ETHER, PHQ-ALA-GLY-GLU-ALA-LEU-TYR-GLU-NH2, ...
Authors:Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J.
Deposit date:2016-03-25
Release date:2017-07-05
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
5MLA
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BU of 5mla by Molmil
Crystal structure of human RAS in complex with darpin K55
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION, ...
Authors:Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Overman, R, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R.
Deposit date:2016-12-06
Release date:2017-12-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Inhibition of RAS nucleotide exchange by a DARPin: structural characterisation and effects on downstream signalling by active RAS
To Be Published
5MLB
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BU of 5mlb by Molmil
Crystal structure of human RAS in complex with darpin K27
Descriptor: DARPin K27, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Overman, R, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R.
Deposit date:2016-12-06
Release date:2017-12-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:INhibition of RAS nucleotide exchange by a DARPin: structural characterisation and effects on downstream signalling by active RAS
To Be Published
5IZ9
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BU of 5iz9 by Molmil
Protein-protein interaction
Descriptor: ACE-GLY-GLY-GLU-ALA-LEU-ALA-ASP-NH2, Adenomatous polyposis coli protein
Authors:Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J.
Deposit date:2016-03-25
Release date:2017-07-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
5O2S
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BU of 5o2s by Molmil
Human KRAS in complex with darpin K27
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R.
Deposit date:2017-05-22
Release date:2017-07-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Structural and functional characterization of a DARPin which inhibits Ras nucleotide exchange.
Nat Commun, 8, 2017
6POM
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BU of 6pom by Molmil
Cryo-EM structure of the full-length Bacillus subtilis glyQS T-box riboswitch in complex with tRNA-Gly
Descriptor: T-box GlyQS leader (155-MER), tRNAGly (75-MER)
Authors:Li, S, Su, Z, Zhang, J, Chiu, W.
Deposit date:2019-07-04
Release date:2019-11-20
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Structural basis of amino acid surveillance by higher-order tRNA-mRNA interactions.
Nat.Struct.Mol.Biol., 26, 2019

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數據於2024-09-25公開中

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