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3DKS
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BU of 3dks by Molmil
DsbA substrate complex
Descriptor: Thiol:disulfide interchange protein dsbA, siga peptide
Authors:Paxman, J.J, Borg, N.A, Horne, J, Rossjohn, J, Thompson, P.E, Piek, S, Kahler, C.M, Sakellaris, H, Scanlon, M.J.
Deposit date:2008-06-25
Release date:2009-05-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structure of the bacterial oxidoreductase enzyme DsbA in complex with a peptide reveals a basis for substrate specificity in the catalytic cycle of DsbA enzymes
J.Biol.Chem., 284, 2009
6BEA
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BU of 6bea by Molmil
Crystal structure of the autotransporter UpaB from E. coli strain CFT073
Descriptor: Autotransporter protein UpaB, CALCIUM ION, CHLORIDE ION, ...
Authors:Paxman, J.J, Heras, B.
Deposit date:2017-10-25
Release date:2019-04-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Unique structural features of a bacterial autotransporter adhesin suggest mechanisms for interaction with host macromolecules.
Nat Commun, 10, 2019
7JVE
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BU of 7jve by Molmil
Crystal structure of Salmonella enterica Typhimurium BcfH
Descriptor: 1,2-ETHANEDIOL, DsbA family protein, MAGNESIUM ION, ...
Authors:Subedi, P, Heras, B, Hor, L, Paxman, J.J.
Deposit date:2020-08-21
Release date:2021-04-21
Last modified:2021-06-23
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Salmonella enterica BcfH Is a Trimeric Thioredoxin-Like Bifunctional Enzyme with Both Thiol Oxidase and Disulfide Isomerase Activities.
Antioxid.Redox Signal., 35, 2021
5EK5
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BU of 5ek5 by Molmil
STRUCTURAL CHARACTERIZATION OF IRMA FROM ESCHERICHIA COLI
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ...
Authors:Heras, B, Moriel, D.G, Paxman, J.J, Schembri, M.A.
Deposit date:2015-11-03
Release date:2016-03-09
Last modified:2016-07-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Molecular and Structural Characterization of a Novel Escherichia coli Interleukin Receptor Mimic Protein.
Mbio, 7, 2016
6BR4
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BU of 6br4 by Molmil
Crystal structure of Escherichia coli DsbA in complex with {N}-methyl-1-(3-thiophen-2-ylphenyl)methanamine
Descriptor: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, ~{N}-methyl-1-(3-thiophen-2-ylphenyl)methanamine
Authors:Heras, B, Totsika, M, Paxman, J.J, Wang, G, Scanlon, M.J, Martin, J.L.
Deposit date:2017-11-29
Release date:2017-12-27
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Inhibition of Diverse DsbA Enzymes in Multi-DsbA Encoding Pathogens.
Antioxid. Redox Signal., 29, 2018
6DNV
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BU of 6dnv by Molmil
Crystal Structure of Neisseria meningitidis DsbD n-terminal domain in the reduced form
Descriptor: SULFATE ION, Thiol:disulfide interchange protein DsbD
Authors:Smith, R.P, Heras, B, Paxman, J.J.
Deposit date:2018-06-08
Release date:2018-09-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.603 Å)
Cite:Structural and biochemical insights into the disulfide reductase mechanism of DsbD, an essential enzyme for neisserial pathogens.
J. Biol. Chem., 293, 2018
6DPS
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BU of 6dps by Molmil
Crystal Structure of Neisseria meningitidis DsbD n-terminal domain in the oxidised form
Descriptor: Thiol:disulfide interchange protein DsbD, ZINC ION
Authors:Heras, B, Smith, R.P, Paxman, J.J.
Deposit date:2018-06-09
Release date:2018-09-12
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (2.556 Å)
Cite:Structural and biochemical insights into the disulfide reductase mechanism of DsbD, an essential enzyme for neisserial pathogens.
J. Biol. Chem., 293, 2018
6DNU
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BU of 6dnu by Molmil
Crystal Structure of Neisseria meningitidis DsbD c-terminal domain in the oxidised form
Descriptor: HEXAETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbD
Authors:Heras, B, Smith, R.P, Paxman, J.J.
Deposit date:2018-06-07
Release date:2018-09-12
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (2.283 Å)
Cite:Structural and biochemical insights into the disulfide reductase mechanism of DsbD, an essential enzyme for neisserial pathogens.
J. Biol. Chem., 293, 2018
6DNL
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BU of 6dnl by Molmil
Crystal Structure of Neisseria meningitidis DsbD c-terminal domain in the reduced form
Descriptor: ACETATE ION, Thiol:disulfide interchange protein DsbD, ZINC ION
Authors:Smith, R.P, Heras, B, Paxman, J.J.
Deposit date:2018-06-06
Release date:2018-09-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and biochemical insights into the disulfide reductase mechanism of DsbD, an essential enzyme for neisserial pathogens.
J. Biol. Chem., 293, 2018
4NQ1
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BU of 4nq1 by Molmil
Legionella pneumophila dihydrodipicolinate synthase with first substrate pyruvate bound in the active site
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ...
Authors:Siddiqui, T, Paxman, J.J.
Deposit date:2013-11-23
Release date:2014-01-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Legionella pneumophila DHDPS: The First Case of Non-Lysine Inhibition in a Gram-Negative Pathogen
To be Published
4PFM
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BU of 4pfm by Molmil
SHEWANELLA BENTHICA DHDPS WITH LYSINE AND PYRUVATE
Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, CITRATE ANION, GLYCEROL, ...
Authors:Wubben, J.M, Paxman, J.J, Dogovski, C, Panjikar, S, Perugini, M.A.
Deposit date:2014-04-30
Release date:2015-05-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.327 Å)
Cite:Defining a Molecular Determinant of Lysine-Mediated Allosteric Inhibition of DHDPS.
To Be Published
4ICN
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BU of 4icn by Molmil
Dihydrodipicolinate synthase from shewanella benthica
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIHYDRODIPICOLINATE SYNTHASE, ...
Authors:Wubben, J.M, Paxman, J.J, Dogovski, C, Parker, M.W, Perugini, M.A.
Deposit date:2012-12-10
Release date:2013-12-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Cold enzymology offers insight into molecular evolution in quaternary structure
To be Published
7KOB
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BU of 7kob by Molmil
Crystal structure of antigen 43b from Escherichia coli CFT073
Descriptor: Antigen 43b, GLYCEROL
Authors:Martinez-Ortiz, G.C, Hor, L, Paxman, J.J, Heras, B.
Deposit date:2020-11-07
Release date:2022-03-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Variation of Antigen 43 self-association modulates bacterial compacting within aggregates and biofilms.
NPJ Biofilms Microbiomes, 8, 2022
7KO9
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BU of 7ko9 by Molmil
Crystal structure of antigen 43 from uropathogenic Escherichia coli UTI89
Descriptor: AidA-I family adhesin, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Vo, J.L, Hor, L, Paxman, J.J, Heras, B.
Deposit date:2020-11-07
Release date:2022-03-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Variation of Antigen 43 self-association modulates bacterial compacting within aggregates and biofilms.
NPJ Biofilms Microbiomes, 8, 2022
7KOH
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BU of 7koh by Molmil
Crystal structure of antigen 43 from Escherichia coli EDL933
Descriptor: Antigen 43, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Vo, J.L, Paxman, J.J, Heras, B.
Deposit date:2020-11-09
Release date:2022-03-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Variation of Antigen 43 self-association modulates bacterial compacting within aggregates and biofilms.
NPJ Biofilms Microbiomes, 8, 2022
6BQX
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BU of 6bqx by Molmil
Crystal structure of Escherichia coli DsbA in complex with N-methyl-1-(4-phenoxyphenyl)methanamine
Descriptor: N-methyl-1-(4-phenoxyphenyl)methanamine, Thiol:disulfide interchange protein DsbA
Authors:Heras, B, Totsika, M, Paxman, J.J, Wang, G, Scanlon, M.J.
Deposit date:2017-11-29
Release date:2017-12-27
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Inhibition of Diverse DsbA Enzymes in Multi-DsbA Encoding Pathogens.
Antioxid. Redox Signal., 29, 2018
8E7F
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BU of 8e7f by Molmil
Crystal structure of the autotransporter Ssp from Serratia marcescens.
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Extracellular serine protease, ...
Authors:Hor, L, Pilapitiya, A, Panjikar, S, Paxman, J.J, Heras, B.
Deposit date:2022-08-23
Release date:2023-03-08
Last modified:2023-03-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a subtilisin-like autotransporter passenger domain reveals insights into its cytotoxic function.
Nat Commun, 14, 2023
6PBU
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BU of 6pbu by Molmil
ClpP1 from Mycobacterium smegmatis
Descriptor: ATP-dependent Clp protease proteolytic subunit, MALONATE ION
Authors:Heras, B, Nagpal, J, Dougan, D.A.
Deposit date:2019-06-14
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular and structural insights into an asymmetric proteolytic complex (ClpP1P2) from Mycobacterium smegmatis.
Sci Rep, 9, 2019
4KH3
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BU of 4kh3 by Molmil
Structure of a bacterial self-associating protein
Descriptor: Antigen 43, MALONATE ION
Authors:Heras, B, Gee, C.L, Schembri, M.A, Totsika, M.
Deposit date:2013-04-30
Release date:2014-01-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The antigen 43 structure reveals a molecular Velcro-like mechanism of autotransporter-mediated bacterial clumping.
Proc.Natl.Acad.Sci.USA, 111, 2014
8EQO
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BU of 8eqo by Molmil
Crystal structure of E.coli DsbA mutant K58A
Descriptor: COPPER (II) ION, GLYCEROL, Thiol:disulfide interchange protein DsbA
Authors:Wang, G, Heras, B.
Deposit date:2022-10-08
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA.
Antioxidants, 12, 2023
8EQQ
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BU of 8eqq by Molmil
Crystal structure of E.coli DsbA mutant E37A
Descriptor: CITRATE ANION, Thiol:disulfide interchange protein DsbA
Authors:Wang, G, Heras, B.
Deposit date:2022-10-09
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA.
Antioxidants, 12, 2023
8EOC
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BU of 8eoc by Molmil
Crystal structure of E.coli DsbA mutant E24A/K58A
Descriptor: COPPER (II) ION, GLYCEROL, Thiol:disulfide interchange protein DsbA
Authors:Wang, G, Heras, B.
Deposit date:2022-10-03
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA.
Antioxidants, 12, 2023
8EQR
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BU of 8eqr by Molmil
Crystal structure of E.coli DsbA mutant E24A
Descriptor: DI(HYDROXYETHYL)ETHER, Thiol:disulfide interchange protein DsbA
Authors:Wang, G, Heras, B.
Deposit date:2022-10-09
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA.
Antioxidants, 12, 2023
8EQP
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BU of 8eqp by Molmil
Crystal structure of E.coli DsbA mutant E24A/E37A/K58A
Descriptor: CITRATE ANION, GLYCEROL, Thiol:disulfide interchange protein DsbA
Authors:Wang, G, Heras, B.
Deposit date:2022-10-09
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA.
Antioxidants, 12, 2023

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