3GR5
 
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3GR1
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8CZ7
 | | Crystal structure of SARS-CoV-2 Mpro with compound C2 | | Descriptor: | 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-(4-methoxyphenyl)acetamide | | Authors: | Worrall, L.J, Lee, J, Strynadka, N.C.J. | | Deposit date: | 2022-05-24 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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
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8CYZ
 | | Crystal structure of SARS-CoV-2 Mpro with compound C4 | | Descriptor: | 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-[4-(methylsulfanyl)phenyl]acetamide | | Authors: | Worrall, L.J, Lee, J, Strynadka, N.C.J. | | Deposit date: | 2022-05-24 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 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
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8CYU
 | | Crystal structure of SARS-CoV-2 Mpro with compound C5 | | Descriptor: | 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)acetamide | | Authors: | Worrall, L.J, Lee, J, Strynadka, N.C.J. | | Deposit date: | 2022-05-24 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 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
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8CZ4
 | | Crystal structure of SARS-CoV-2 Mpro with compound C3 | | Descriptor: | 3C-like proteinase, N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)acetamide | | Authors: | Worrall, L.J, Lee, J, Strynadka, N.C.J. | | Deposit date: | 2022-05-24 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 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
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3GR0
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6PEP
 | | Focussed refinement of InvGN0N1:SpaPQR:PrgIJ from the Salmonella SPI-1 injectisome needle complex | | Descriptor: | Protein InvG, Protein PrgH, Protein PrgI, ... | | Authors: | Hu, J, Worrall, L.J, Strynadka, N.C.J. | | Deposit date: | 2019-06-20 | | Release date: | 2019-10-23 | | Last modified: | 2020-01-08 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | T3S injectisome needle complex structures in four distinct states reveal the basis of membrane coupling and assembly.
Nat Microbiol, 4, 2019
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6PEE
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6PEM
 | | Focussed refinement of InvGN0N1:SpaPQR:PrgHK from Salmonella SPI-1 injectisome NC-base | | Descriptor: | Lipoprotein PrgK, Protein InvG, Protein PrgH, ... | | Authors: | Hu, J, Worrall, L.J, Strynadka, N.C.J. | | Deposit date: | 2019-06-20 | | Release date: | 2019-10-23 | | Last modified: | 2020-01-08 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | T3S injectisome needle complex structures in four distinct states reveal the basis of membrane coupling and assembly.
Nat Microbiol, 4, 2019
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7KGM
 | | C. rodentium YcbB - ertapenem complex | | Descriptor: | (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 | | Authors: | Caveney, N.A, Strynadka, N.C.J. | | Deposit date: | 2020-10-17 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 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
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7KGN
 | | S. Typhi YcbB - ertapenem complex | | Descriptor: | (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 | | Authors: | Caveney, N.A, Strynadka, N.C.J. | | Deposit date: | 2020-10-18 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | 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
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5FGZ
 | | E. coli PBP1b in complex with FPI-1465 | | Descriptor: | MOENOMYCIN, Penicillin-binding protein 1B, [[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate | | Authors: | King, D.T, Strynadka, N.C.J. | | Deposit date: | 2015-12-21 | | Release date: | 2016-01-20 | | Last modified: | 2019-11-20 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
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3T0T
 | | Crystal structure of S. aureus Pyruvate Kinase | | Descriptor: | N'-[(1E)-1-(1H-benzimidazol-2-yl)ethylidene]-5-bromo-2-hydroxybenzohydrazide, PHOSPHATE ION, Pyruvate kinase | | Authors: | Worrall, L.J, Vuckovic, M, Strynadka, N.C.J. | | Deposit date: | 2011-07-20 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Cheminformatics-driven discovery of selective, nanomolar inhibitors for staphylococcal pyruvate kinase.
Acs Chem.Biol., 7, 2012
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3J1X
 | | A refined model of the prototypical Salmonella typhimurium T3SS basal body reveals the molecular basis for its assembly | | Descriptor: | Protein PrgH | | Authors: | Sgourakis, N.G, Bergeron, J.R.C, Worrall, L.J, Strynadka, N.C.J, Baker, D. | | Deposit date: | 2012-07-10 | | Release date: | 2013-05-22 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (11.7 Å) | | Cite: | A Refined Model of the Prototypical Salmonella SPI-1 T3SS Basal Body Reveals the Molecular Basis for Its Assembly.
Plos Pathog., 9, 2013
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3J1V
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3J1W
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