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3C03
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BU of 3c03 by Molmil
Crystal structure of the EscU C-terminal domain with P263A mutation,space group P 1 21 1
Descriptor: EscU, PROLINE
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:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS.
Nature, 453, 2008
3BZL
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BU of 3bzl by Molmil
Crystal structural of native EscU C-terminal domain
Descriptor: EscU, FORMIC ACID, SODIUM 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 (1.71 Å)
Cite:Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS.
Nature, 453, 2008
3BZX
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BU of 3bzx by Molmil
Crystal structure of the mutated H265A 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 (1.6 Å)
Cite:Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS.
Nature, 453, 2008
3C01
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BU of 3c01 by Molmil
Crystal structural of native SpaS C-terminal domain
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CYSTEINE, 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 (2.6 Å)
Cite:Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS.
Nature, 453, 2008
3BZZ
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BU of 3bzz by Molmil
Crystal structural of the mutated R313T EscU/SpaS 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 (1.407 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
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
5FGZ
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BU of 5fgz by Molmil
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
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
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
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
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
4G1I
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BU of 4g1i by Molmil
Structure of the PrgH periplasmic domain
Descriptor: PENTAETHYLENE GLYCOL, PHOSPHATE ION, Protein prgH
Authors:Bergeron, J.R.C, Worrall, L.J, Strynadka, N.C.J.
Deposit date:2012-07-10
Release date:2013-05-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 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
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
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
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
5WC3
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BU of 5wc3 by Molmil
SpoIIIAG
Descriptor: SpoIIIAG, Stage III sporulation engulfment assemblyprotein
Authors:Zeytuni, N, Hong, C, Worrall, L.J, Huang, R.K, Yu, Z, Strynadka, N.C.J.
Deposit date:2017-06-29
Release date:2017-08-16
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Near-atomic resolution cryoelectron microscopy structure of the 30-fold homooligomeric SpoIIIAG channel essential to spore formation in Bacillus subtilis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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
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
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
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
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

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