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8SXR
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BU of 8sxr by Molmil
Crystal structure of SARS-CoV-2 Mpro with C5a
分子名称: 3C-like proteinase nsp5, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(5-hydroxyisoquinolin-4-yl)acetamide
著者Worrall, L.J, Kenward, C, Lee, J, Strynadka, N.C.J.
登録日2023-05-23
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2.114 Å)
主引用文献A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
7JLR
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BU of 7jlr by Molmil
Crystal structure of Bacillus subtilis UppS in complex with JPD447
分子名称: 7-(azepan-1-yl)-5-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine, Isoprenyl transferase
著者Workman, S.D, Strynadka, N.C.J.
登録日2020-07-30
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Insights into the Inhibition of Undecaprenyl Pyrophosphate Synthase from Gram-Positive Bacteria.
J.Med.Chem., 64, 2021
7JLM
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BU of 7jlm by Molmil
Crystal structure of Bacillus subtilis UppS in complex with MAC-0547630
分子名称: 7-(azepan-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine, CITRIC ACID, Isoprenyl transferase
著者Workman, S.D, Strynadka, N.C.J.
登録日2020-07-29
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Insights into the Inhibition of Undecaprenyl Pyrophosphate Synthase from Gram-Positive Bacteria.
J.Med.Chem., 64, 2021
7JLI
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BU of 7jli by Molmil
Crystal structure of Bacillus subtilis UppS
分子名称: DI(HYDROXYETHYL)ETHER, Isoprenyl transferase
著者Workman, S.D, Strynadka, N.C.J.
登録日2020-07-29
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Insights into the Inhibition of Undecaprenyl Pyrophosphate Synthase from Gram-Positive Bacteria.
J.Med.Chem., 64, 2021
7JLJ
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Crystal structure of Bacillus subtilis UppS in complex with clomiphene
分子名称: Clomifene, Isoprenyl transferase
著者Workman, S.D, Strynadka, N.C.J.
登録日2020-07-29
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Insights into the Inhibition of Undecaprenyl Pyrophosphate Synthase from Gram-Positive Bacteria.
J.Med.Chem., 64, 2021
7KCX
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BU of 7kcx by Molmil
Crystal structure of S. aureus penicillin-binding protein 4 (PBP4) mutant (R200L) in complex with cefoxitin
分子名称: (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, GLYCEROL, Penicillin-binding protein 4, ...
著者Alexander, J.A.N, Strynadka, N.C.J.
登録日2020-10-07
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献PBP4-mediated beta-lactam resistance among clinical strains of Staphylococcus aureus.
J.Antimicrob.Chemother., 76, 2021
7KCV
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BU of 7kcv by Molmil
Crystal structure of S. aureus penicillin-binding protein 4 (PBP4) mutant (R200L)
分子名称: Penicillin-binding protein 4, ZINC ION
著者Alexander, J.A.N, Strynadka, N.C.J.
登録日2020-10-07
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献PBP4-mediated beta-lactam resistance among clinical strains of Staphylococcus aureus.
J.Antimicrob.Chemother., 76, 2021
7KCY
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Crystal structure of S. aureus penicillin-binding protein 4 (PBP4) with cefoxitin
分子名称: (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, GLYCEROL, Penicillin-binding protein 4, ...
著者Alexander, J.A.N, Strynadka, N.C.J.
登録日2020-10-07
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献PBP4-mediated beta-lactam resistance among clinical strains of Staphylococcus aureus.
J.Antimicrob.Chemother., 76, 2021
7KGN
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S. Typhi YcbB - ertapenem complex
分子名称: (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, L,D-transpeptidase
著者Caveney, N.A, Strynadka, N.C.J.
登録日2020-10-18
公開日2020-11-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structural and Cellular Insights into the l,d-Transpeptidase YcbB as a Therapeutic Target in Citrobacter rodentium, Salmonella Typhimurium, and Salmonella Typhi Infections.
Antimicrob.Agents Chemother., 65, 2021
7KHP
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BU of 7khp by Molmil
Acyl-enzyme intermediate structure of SARS-CoV-2 Mpro in complex with its C-terminal autoprocessing sequence.
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE
著者Lee, J, Worrall, L.J, Paetzel, M, Strynadka, N.C.J.
登録日2020-10-21
公開日2020-10-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystallographic structure of wild-type SARS-CoV-2 main protease acyl-enzyme intermediate with physiological C-terminal autoprocessing site.
Nat Commun, 11, 2020
7KGM
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BU of 7kgm by Molmil
C. rodentium YcbB - ertapenem complex
分子名称: (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Putative exported protein
著者Caveney, N.A, Strynadka, N.C.J.
登録日2020-10-17
公開日2020-11-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and Cellular Insights into the l,d-Transpeptidase YcbB as a Therapeutic Target in Citrobacter rodentium, Salmonella Typhimurium, and Salmonella Typhi Infections.
Antimicrob.Agents Chemother., 65, 2021
7K7K
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BU of 7k7k by Molmil
Structure of the EPEC type III secretion injectisome EspA filament
分子名称: Translocon EspA
著者Lyons, B.J.E, Atkinson, C.E, Strynadka, N.C.J.
登録日2020-09-23
公開日2020-12-30
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.56 Å)
主引用文献Cryo-EM structure of the EspA filament from enteropathogenic Escherichia coli: Revealing the mechanism of effector translocation in the T3SS.
Structure, 29, 2021
7JOY
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BU of 7joy by Molmil
Product structure of SARS-CoV-2 Mpro C145A mutant in complex with its C-terminal autoprocessing sequence.
分子名称: 3C-like proteinase
著者Lee, J, Worrall, L.J, Paetzel, M, Strynadka, N.C.J.
登録日2020-08-07
公開日2020-10-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic structure of wild-type SARS-CoV-2 main protease acyl-enzyme intermediate with physiological C-terminal autoprocessing site.
Nat Commun, 11, 2020
7JP1
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BU of 7jp1 by Molmil
Structure of wild-type substrate free SARS-CoV-2 Mpro.
分子名称: 3C-like proteinase
著者Lee, J, Worrall, L.J, Paetzel, M, Strynadka, N.C.J.
登録日2020-08-07
公開日2020-10-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic structure of wild-type SARS-CoV-2 main protease acyl-enzyme intermediate with physiological C-terminal autoprocessing site.
Nat Commun, 11, 2020
7K08
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BU of 7k08 by Molmil
Cryo-EM structure of the nonameric EscV cytosolic domain from the type III secretion system
分子名称: Translocator EscV
著者Majewski, D.D, Lyons, B.J.E, Atkinson, C.E, Strynadka, N.C.J.
登録日2020-09-03
公開日2020-11-25
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Cryo-EM analysis of the SctV cytosolic domain from the enteropathogenic E. coli T3SS injectisome.
J.Struct.Biol., 212, 2020
8V33
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BU of 8v33 by Molmil
Crystal structure of S. aureus TarL N-terminal domain
分子名称: SUCCINIC ACID, Teichoic acid ribitol-phosphate polymerase TarL
著者Li, F.K.K, Strynadka, N.C.J.
登録日2023-11-26
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Cryo-EM analysis of S. aureus TarL, a polymerase in wall teichoic acid biogenesis central to virulence and antibiotic resistance.
Sci Adv, 10, 2024
8V34
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BU of 8v34 by Molmil
Crystal structure of S. aureus TarK N-terminal domain
分子名称: CDP-glycerol glycerophosphotransferase family protein
著者Li, F.K.K, Strynadka, N.C.J.
登録日2023-11-26
公開日2024-04-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Cryo-EM analysis of S. aureus TarL, a polymerase in wall teichoic acid biogenesis central to virulence and antibiotic resistance.
Sci Adv, 10, 2024
8VA1
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S. aureus TarL H300N in complex with CDP-ribitol (single tetramer)
分子名称: CDP-ribitol, Teichoic acid ribitol-phosphate polymerase TarL
著者Li, F.K.K, Worrall, L.J, Strynadka, N.C.J.
登録日2023-12-10
公開日2024-04-03
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM analysis of S. aureus TarL, a polymerase in wall teichoic acid biogenesis central to virulence and antibiotic resistance.
Sci Adv, 10, 2024
8VBU
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BU of 8vbu by Molmil
Structure of the monofunctional Staphylococcus aureus PBP1 in its beta-lactam (Oxacillin) inhibited form
分子名称: (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, Penicillin-binding protein 1
著者Bon, C.G, Lee, J, Caveney, N.A, Strynadka, N.C.J.
登録日2023-12-12
公開日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and kinetic analysis of the monofunctional Staphylococcus aureus PBP1.
J.Struct.Biol., 216, 2024
8VBV
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BU of 8vbv by Molmil
Structure of the monofunctional Staphylococcus aureus PBP1 in its beta-lactam (Cephalexin) inhibited form
分子名称: (2S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Penicillin-binding protein 1
著者Bon, C.G, Lee, J, Caveney, N.A, Strynadka, N.C.J.
登録日2023-12-12
公開日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and kinetic analysis of the monofunctional Staphylococcus aureus PBP1.
J.Struct.Biol., 216, 2024
8VBW
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Structure of the monofunctional Staphylococcus aureus PBP1 in its beta-lactam (Ertapenem) inhibited form
分子名称: (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Penicillin-binding protein 1
著者Bon, C.G, Lee, J, Caveney, N.A, Strynadka, N.C.J.
登録日2023-12-12
公開日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and kinetic analysis of the monofunctional Staphylococcus aureus PBP1.
J.Struct.Biol., 216, 2024
8VBT
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BU of 8vbt by Molmil
Structure of the monofunctional Staphylococcus aureus PBP1 in its apo form
分子名称: Penicillin-binding protein 1
著者Bon, C.G, Lee, J, Caveney, N.A, Strynadka, N.C.J.
登録日2023-12-12
公開日2024-05-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and kinetic analysis of the monofunctional Staphylococcus aureus PBP1.
J.Struct.Biol., 216, 2024
6XFK
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BU of 6xfk by Molmil
Crystal structure of the type III secretion system pilotin-secretin complex InvH-InvG
分子名称: SULFATE ION, Type 3 secretion system pilotin, Type 3 secretion system secretin
著者Majewski, D.D, Okon, M, Heinkel, F, Robb, C.S, Vuckovic, M, McIntosh, L.P, Strynadka, N.C.J.
登録日2020-06-15
公開日2020-09-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Characterization of the Pilotin-Secretin Complex from the Salmonella enterica Type III Secretion System Using Hybrid Structural Methods.
Structure, 29, 2021
6XFU
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PmtCD peptide exporter basket domain
分子名称: ABC transporter ATP-binding protein, THIOCYANATE ION
著者Zeytuni, N, Strynadka, N.C.J, Alexander, J.A.N.
登録日2020-06-16
公開日2020-10-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural insight into the Staphylococcus aureus ATP-driven exporter of virulent peptide toxins
Sci Adv, 6, 2020
6XFJ
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Crystal structure of the type III secretion pilotin InvH
分子名称: CADMIUM ION, CHLORIDE ION, SODIUM ION, ...
著者Majewski, D.D, Okon, M, Heinkel, F, Robb, C.S, Vuckovic, M, McIntosh, L.P, Strynadka, N.C.J.
登録日2020-06-15
公開日2020-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Characterization of the Pilotin-Secretin Complex from the Salmonella enterica Type III Secretion System Using Hybrid Structural Methods.
Structure, 29, 2021

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