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2X8I
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BU of 2x8i by Molmil
Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration
Descriptor: 7-(3-hydroxyphenyl)-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ...
Authors:Read, J.A, Breed, J, Haye, H, McCall, E, Otterbein, L, Vallentine, A, White, A.
Deposit date:2010-03-09
Release date:2010-08-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration.
Bioorg.Med.Chem., 20, 2010
7FJ1
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BU of 7fj1 by Molmil
Cryo-EM structure of pseudorabies virus C-capsid
Descriptor: Capsid vertex component 1, DNA packaging tegument protein UL25, Major capsid protein, ...
Authors:Zheng, Q, Li, S, Zha, Z, Sun, H.
Deposit date:2021-08-02
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (4.43 Å)
Cite:Structures of pseudorabies virus capsids.
Nat Commun, 13, 2022
6L7D
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BU of 6l7d by Molmil
Mycobacterium tuberculosis enolase mutant - S42A
Descriptor: 1,2-ETHANEDIOL, 2-PHOSPHOGLYCERIC ACID, ACETATE ION, ...
Authors:Ahmad, M, Jha, B, Tiwari, S, Dwivedy, A, Biswal, B.K.
Deposit date:2019-11-01
Release date:2020-11-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
7FJ3
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BU of 7fj3 by Molmil
Cryo-EM structure of PRV A-capid
Descriptor: Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ...
Authors:Zheng, Q, Li, S, Zha, Z, Sun, H.
Deposit date:2021-08-02
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (4.53 Å)
Cite:Structures of pseudorabies virus capsids.
Nat Commun, 13, 2022
7W1Q
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BU of 7w1q by Molmil
The structure of the Arabidopsis thaliana guanosine deaminase mutant E82Q complexed with 2'-O-methylguanosine
Descriptor: Guanosine deaminase, O2'-METHYLGUANOSINE-5'-MONOPHOSPHATE, ZINC ION
Authors:Xie, W, Jia, Q, Zeng, H.
Deposit date:2021-11-19
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Substrate Specificity of GSDA Revealed by Cocrystal Structures and Binding Studies.
Int J Mol Sci, 23, 2022
7X39
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BU of 7x39 by Molmil
Structure of CIZ1 bound ERH
Descriptor: Enhancer of rudimentary homolog,Cip1-interacting zinc finger protein
Authors:Wang, X, Xu, C.
Deposit date:2022-02-28
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Molecular basis for the recognition of CIZ1 by ERH.
Febs J., 290, 2023
3RAE
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BU of 3rae by Molmil
Quinolone(Levofloxacin)-DNA cleavage complex of type IV topoisomerase from S. pneumoniae
Descriptor: (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, 5'-D(*CP*AP*TP*GP*AP*AP*T)-3', 5'-D(*CP*GP*TP*GP*CP*AP*T)-3', ...
Authors:Laponogov, I, Pan, X.-S, Veselkov, D.A, McAuley, K.E, Fisher, L.M, Sanderson, M.R.
Deposit date:2011-03-28
Release date:2012-04-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of a quinolone-stabilized cleavage complex of topoisomerase IV from Klebsiella pneumoniae and comparison with a related Streptococcus pneumoniae complex.
Acta Crystallogr.,Sect.D, 72, 2016
7XB4
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BU of 7xb4 by Molmil
Crystal structure of SARS-Cov-2 main protease D48N 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, Replicase polyprotein 1a
Authors:Hu, X.H, Li, J, Zhang, J.
Deposit date:2022-03-20
Release date:2023-03-22
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural Basis for the Inhibition of SARS-CoV-2 M pro D48N Mutant by Shikonin and PF-07321332.
Viruses, 16, 2023
7X3Y
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BU of 7x3y by Molmil
Cryo-EM structure of Coxsackievirus B1 empty particle in complex with nAb 9A3 (CVB1-E:9A3)
Descriptor: 9A3 heavy chain, 9A3 light chain, VP2, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-03-01
Release date:2023-06-07
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
7X35
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BU of 7x35 by Molmil
Cryo-EM structure of Coxsackievirus B1 A-particle in complex with nAb 8A10 (CVB1-A:8A10)
Descriptor: 8A10 heavy chain, 8A10 light chain, VP2, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-02-28
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
2HHN
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BU of 2hhn by Molmil
Cathepsin S in complex with non covalent arylaminoethyl amide.
Descriptor: Cathepsin S, N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE, SULFATE ION
Authors:Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S, Kulathila, R, Clark, K.
Deposit date:2006-06-28
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers
Bioorg.Med.Chem.Lett., 16, 2006
7XGW
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BU of 7xgw by Molmil
Apo structure of LW domain from Trypanosoma brucei
Descriptor: Transcription elongation factor s-II
Authors:Liao, S, Gao, J, Chen, M, Tu, X.
Deposit date:2022-04-06
Release date:2023-05-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis for evolutionarily conserved interactions between TFIIS and Paf1C.
Int.J.Biol.Macromol., 253, 2023
8K1C
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BU of 8k1c by Molmil
Structural insight into the role of acetyl-CoA acetyltransferase from Fusobacterium nucleatum
Descriptor: Acetyl-CoA acetyltransferase
Authors:He, S.R, Bai, X, Zhang, J, Zhao, Z.D.
Deposit date:2023-07-10
Release date:2023-08-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.894 Å)
Cite:Structural insight into the role of acetyl-CoA acetyltransferase from Fusobacterium nucleatum
To Be Published
8K1F
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BU of 8k1f by Molmil
Crystal Structure of TrmR from Fusobacterium nucleatum
Descriptor: tRNA 5-hydroxyuridine methyltransferase
Authors:He, S.R, Bai, X, Zhang, J, Zhao, Z.D.
Deposit date:2023-07-10
Release date:2023-08-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of TrmR from Fusobacterium nucleatum
To Be Published
5MPS
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BU of 5mps by Molmil
Structure of a spliceosome remodeled for exon ligation
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ...
Authors:Fica, S.M, Oubridge, C, Galej, W.P, Wilkinson, M.E, Newman, A.J, Bai, X.-C, Nagai, K.
Deposit date:2016-12-18
Release date:2017-01-18
Last modified:2020-10-07
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:Structure of a spliceosome remodelled for exon ligation.
Nature, 542, 2017
7X38
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BU of 7x38 by Molmil
Cryo-EM structure of Coxsackievirus B1 empty particle in complex with nAb 8A10 (CVB1-E:8A10)
Descriptor: 8A10 heavy chain, 8A10 light chain, VP2, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-02-28
Release date:2022-09-28
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
7X3F
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BU of 7x3f by Molmil
Cryo-EM structure of Coxsackievirus B1 A-particle in complex with nAb 9A3 (CVB1-A:9A3)
Descriptor: 9A3 heavy chain, 9A3 light chain, VP2, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-02-28
Release date:2022-09-28
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
7X2G
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BU of 7x2g by Molmil
Cryo-EM structure of Coxsackievirus B1 empty particle in complex with nAb nAb 2E6 (CVB1-E:2E6)
Descriptor: 2E6 heavy chain, 2E6 light chain, VP2, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-02-25
Release date:2022-09-28
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
7X2O
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BU of 7x2o by Molmil
Cryo-EM structure of Coxsackievirus B1 mature virion in complex with nAb 2E6 (CVB1-M:2E6)
Descriptor: 2E6 heavy chain, 2E6 light chain, Capsid protein VP4, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-02-25
Release date:2022-09-28
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
7X42
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BU of 7x42 by Molmil
Cryo-EM structure of Coxsackievirus B1 pre-A-particle in complex with nAb 8A10 (classified from CVB1 mature virion in complex with 8A10 and 2E6)
Descriptor: 8A10 heavy chain, 8A10 light chain, Capsid protein VP0, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-03-01
Release date:2022-09-28
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
7X2I
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BU of 7x2i by Molmil
Cryo-EM structure of Coxsackievirus B1 pre-A particle in complex with nAb 2E6 (CVB1-pre-A:2E6)
Descriptor: 2E6 heavy chain, 2E6 light chain, Capsid protein VP4, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-02-25
Release date:2022-09-28
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
7X49
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BU of 7x49 by Molmil
Cryo-EM structure of Coxsackievirus B1 mature virion in complex with nAb 8A10 (classified from CVB1 mature virion in complex with 8A10 and 9A3)
Descriptor: 8A10 heavy chain, 8A10 light chain, Capsid protein VP4, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-03-02
Release date:2022-09-28
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
8K76
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BU of 8k76 by Molmil
Crystal structure of S-adenosylmethionine-dependent methyltransferase from Fusobacterium nucleatum
Descriptor: S-adenosylmethionine-dependent methyltransferase
Authors:He, S.R, Bai, X, Zhang, J, Zhao, Z.D.
Deposit date:2023-07-26
Release date:2023-08-23
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Crystal structure of S-adenosylmethionine-dependent methyltransferase from Fusobacterium nucleatum
To Be Published
7X2W
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BU of 7x2w by Molmil
Cryo-EM structure of Coxsackievirus B1 pre-A particle in complex with nAb 8A10 (CVB1-pre-A:8A10)
Descriptor: 8A10 heavy chain, 8A10 light chain, Capsid protein VP4, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-02-26
Release date:2022-09-28
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
7X2T
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BU of 7x2t by Molmil
Cryo-EM structure of Coxsackievirus B1 mature virion in complex with nAb 8A10 (CVB1-M:8A10)
Descriptor: 8A10 heavy chain, 8A10 light chain, Capsid protein VP4, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-02-26
Release date:2022-09-28
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022

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数据于2024-10-16公开中

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