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3BZV
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BU of 3bzv by Molmil
Crystal structural of the mutated T264A EscU C-terminal domain
Descriptor: EscU
Authors:Zarivach, R, Deng, W, Vuckovic, M, Felise, H.B, Nguyen, H.V, Miller, S.I, Finlay, B.B, Strynadka, N.C.J.
Deposit date:2008-01-18
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS.
Nature, 453, 2008
3BZS
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BU of 3bzs by Molmil
Crystal structure of EscU C-terminal domain with N262D mutation, Space group P 21 21 21
Descriptor: EscU
Authors:Zarivach, R, Deng, W, Vuckovic, M, Felise, H.B, Nguyen, H.V, Miller, S.I, Finlay, B.B, Strynadka, N.C.J.
Deposit date:2008-01-18
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS.
Nature, 453, 2008
3BZP
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BU of 3bzp by Molmil
Crystal structural of the mutated N262A EscU C-terminal domain
Descriptor: EscU
Authors:Zarivach, R, Deng, W, Vuckovic, M, Felise, H.B, Nguyen, H.V, Miller, S.I, Finlay, B.B, Strynadka, N.C.J.
Deposit date:2008-01-18
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS.
Nature, 453, 2008
3BZR
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BU of 3bzr by Molmil
Crystal structure of EscU C-terminal domain with N262D mutation, Space group P 41 21 2
Descriptor: EscU
Authors:Zarivach, R, Deng, W, Vuckovic, M, Felise, H.B, Nguyen, H.V, Miller, S.I, Finlay, B.B, Strynadka, N.C.J.
Deposit date:2008-01-18
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.646 Å)
Cite:Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS.
Nature, 453, 2008
3BZY
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BU of 3bzy by Molmil
Crystal structure of the mutated Y316D EscU C-terminal domain
Descriptor: EscU, SULFATE ION
Authors:Zarivach, R, Deng, W, Vuckovic, M, Felise, H.B, Nguyen, H.V, Miller, S.I, Finlay, B.B, Strynadka, N.C.J.
Deposit date:2008-01-18
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS.
Nature, 453, 2008
8SXR
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BU of 8sxr by Molmil
Crystal structure of SARS-CoV-2 Mpro with C5a
Descriptor: 3C-like proteinase nsp5, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(5-hydroxyisoquinolin-4-yl)acetamide
Authors:Worrall, L.J, Kenward, C, Lee, J, Strynadka, N.C.J.
Deposit date:2023-05-23
Release date:2023-08-30
Method:X-RAY DIFFRACTION (2.114 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
4WJ2
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BU of 4wj2 by Molmil
Mycobacterial protein
Descriptor: Antigen MTB48
Authors:Solomonson, M, Strynadka, N.C.J.
Deposit date:2014-09-29
Release date:2015-02-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of EspB from the ESX-1 type VII secretion system and insights into its export mechanism.
Structure, 23, 2015
4WJ1
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BU of 4wj1 by Molmil
Crystal structure of EspB from the ESX-1 type VII secretion system
Descriptor: Antigen MTB48, Mycobacterial protein
Authors:Solomonson, M, Strynadka, N.C.J.
Deposit date:2014-09-29
Release date:2015-02-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.415 Å)
Cite:Structure of EspB from the ESX-1 type VII secretion system and insights into its export mechanism.
Structure, 23, 2015
8CYZ
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BU of 8cyz by Molmil
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
8CYU
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BU of 8cyu by Molmil
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
8CZ4
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BU of 8cz4 by Molmil
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
8CZ7
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BU of 8cz7 by Molmil
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
6NTZ
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BU of 6ntz by Molmil
Crystal structure of E. coli PBP5-meropenem
Descriptor: (2S,3R,4S)-4-{[(3S,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, D-alanyl-D-alanine carboxypeptidase
Authors:Caveney, N.A, Strynadka, N.C.J, Caballero, G, Worrall, L.J.
Deposit date:2019-01-30
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insight into YcbB-mediated beta-lactam resistance in Escherichia coli.
Nat Commun, 10, 2019
6NTW
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BU of 6ntw by Molmil
Crystal structure of E. coli YcbB
Descriptor: (2S,3R,4S)-4-{[(3S,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Probable L,D-transpeptidase YcbB, SULFATE ION
Authors:Caveney, N.A, Strynadka, N.C.J, Caballero, G, Worrall, L.J.
Deposit date:2019-01-30
Release date:2019-03-20
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structural insight into YcbB-mediated beta-lactam resistance in Escherichia coli.
Nat Commun, 10, 2019
2LV4
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BU of 2lv4 by Molmil
ZirS C-terminal Domain
Descriptor: Putative outer membrane or exported protein
Authors:Prehna, G, Li, Y, Stoynov, N, Okon, M, Vukovic, M, Mcintosh, L.P, Foster, L.J, Finlay, B, Strynadka, N.C.J.
Deposit date:2012-06-28
Release date:2012-08-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The zinc regulated antivirulence pathway of salmonella is a multiprotein immunoglobulin adhesion system.
J.Biol.Chem., 287, 2012
3J83
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BU of 3j83 by Molmil
Heptameric EspB Rosetta model guided by EM density
Descriptor: ESX-1 secretion-associated protein EspB
Authors:Solomonson, M, DiMaio, F, Strynadka, N.C.J.
Deposit date:2014-09-30
Release date:2015-03-11
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (30 Å)
Cite:Structure of EspB from the ESX-1 Type VII Secretion System and Insights into its Export Mechanism.
Structure, 23, 2015
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.
Descriptor: 3C-like proteinase
Authors:Lee, J, Worrall, L.J, Paetzel, M, Strynadka, N.C.J.
Deposit date:2020-08-07
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite: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.
Descriptor: 3C-like proteinase
Authors:Lee, J, Worrall, L.J, Paetzel, M, Strynadka, N.C.J.
Deposit date:2020-08-07
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic structure of wild-type SARS-CoV-2 main protease acyl-enzyme intermediate with physiological C-terminal autoprocessing site.
Nat Commun, 11, 2020
5CUL
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BU of 5cul by Molmil
crystal structure of the PscU C-terminal domain
Descriptor: Translocation protein in type III secretion
Authors:Bergeron, J.R.C, Strynadka, N.C.J.
Deposit date:2015-07-24
Release date:2015-12-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Structure of a Type 3 Secretion System (T3SS) Ruler Protein Suggests a Molecular Mechanism for Needle Length Sensing.
J.Biol.Chem., 291, 2016
5CUK
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BU of 5cuk by Molmil
Crystal structure of the PscP SS domain
Descriptor: GLYCEROL, Ruler protein
Authors:Bergeron, J.R.C, Strynadka, N.C.J.
Deposit date:2015-07-24
Release date:2015-12-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Structure of a Type 3 Secretion System (T3SS) Ruler Protein Suggests a Molecular Mechanism for Needle Length Sensing.
J.Biol.Chem., 291, 2016
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.
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Lee, J, Worrall, L.J, Paetzel, M, Strynadka, N.C.J.
Deposit date:2020-10-21
Release date:2020-10-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystallographic structure of wild-type SARS-CoV-2 main protease acyl-enzyme intermediate with physiological C-terminal autoprocessing site.
Nat Commun, 11, 2020
3GR5
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BU of 3gr5 by Molmil
Periplasmic domain of the outer membrane secretin EscC from enteropathogenic E.coli (EPEC)
Descriptor: EscC, SULFATE ION
Authors:Yip, C.K, Vockovic, M, Strynadka, N.C.J.
Deposit date:2009-03-24
Release date:2009-05-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A conserved structural motif mediates formation of the periplasmic rings in the type III secretion system.
Nat.Struct.Mol.Biol., 16, 2009
3GR0
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BU of 3gr0 by Molmil
Periplasmic domain of the T3SS inner membrane protein PrgH from S.typhimurium (fragment 170-362)
Descriptor: Protein prgH
Authors:Yip, C.K, Vockovic, M, Yu, A.C, Strynadka, N.C.J.
Deposit date:2009-03-24
Release date:2009-05-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A conserved structural motif mediates formation of the periplasmic rings in the type III secretion system.
Nat.Struct.Mol.Biol., 16, 2009
3GR1
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BU of 3gr1 by Molmil
Periplasmic domain of the T3SS inner membrane protein PrgH from S.typhimurium (fragment 170-392)
Descriptor: Protein prgH
Authors:Yip, C.K, Vockovic, M, Yu, A.C, Strynadka, N.C.J.
Deposit date:2009-03-24
Release date:2009-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A conserved structural motif mediates formation of the periplasmic rings in the type III secretion system.
Nat.Struct.Mol.Biol., 16, 2009
4G08
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BU of 4g08 by Molmil
Crystal structure of the periplasmic domain of InvG
Descriptor: Protein InvG
Authors:Bergeron, J.R.C, Strynadka, N.C.J.
Deposit date:2012-07-09
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.801 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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PDB entries from 2024-05-15

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