6DNU
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3L9S
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5EK5
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![BU of 5ek5 by Molmil](/molmil-images/mine/5ek5) | 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
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6BQX
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![BU of 6bqx by Molmil](/molmil-images/mine/6bqx) | 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
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6DPS
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6BR4
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![BU of 6br4 by Molmil](/molmil-images/mine/6br4) | 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
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7S1L
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![BU of 7s1l by Molmil](/molmil-images/mine/7s1l) | Crystal structure of E.coli DsbA in complex with compound MIPS-0001896 (compound 72) | Descriptor: | COPPER (II) ION, Thiol:disulfide interchange protein DsbA, methyl cis-4-({[3-(thiophen-3-yl)benzyl]amino}methyl)cyclohexanecarboxylate | Authors: | Heras, B, Scanlon, M.J, Martin, J.L, Caria, S. | Deposit date: | 2021-09-02 | Release date: | 2023-02-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.623 Å) | Cite: | Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates Chemrxiv, 2022
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7S1D
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![BU of 7s1d by Molmil](/molmil-images/mine/7s1d) | Crystal structure of E.coli DsbA in complex with compound MIPS-0001877 (compound 39) | Descriptor: | 1-[3-(thiophen-3-yl)benzyl]piperidin-2-one, COPPER (II) ION, Thiol:disulfide interchange protein DsbA | Authors: | Heras, B, Scanlon, M.J, Martin, J.L, Caria, S. | Deposit date: | 2021-09-02 | Release date: | 2023-02-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates Chemrxiv, 2022
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7S1F
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![BU of 7s1f by Molmil](/molmil-images/mine/7s1f) | Crystal structure of E.coli DsbA in complex with compound MIPS-0001886 (compound 38) | Descriptor: | 1-[(3-thiophen-3-ylphenyl)methyl]-3~{H}-pyrrol-2-one, COPPER (II) ION, GLYCEROL, ... | Authors: | Heras, B, Scanlon, M.J, Martin, J.L, Caria, S. | Deposit date: | 2021-09-02 | Release date: | 2023-02-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates Chemrxiv, 2022
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7S1C
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![BU of 7s1c by Molmil](/molmil-images/mine/7s1c) | Crystal structure of E.coli DsbA in complex with compound MIPS-0001897 (compound 1) | Descriptor: | COPPER (II) ION, Thiol:disulfide interchange protein DsbA, ~{N}-methyl-1-(3-thiophen-3-ylphenyl)methanamine | Authors: | Heras, B, Scanlon, M.J, Martin, J.L, Sharma, P. | Deposit date: | 2021-09-02 | Release date: | 2023-02-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates Chemrxiv, 2022
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3BCI
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3L9V
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![BU of 3l9v by Molmil](/molmil-images/mine/3l9v) | Crystal Structure of Salmonella enterica serovar Typhimurium SrgA | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, HEXAETHYLENE GLYCOL, O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, ... | Authors: | Heras, B, Jarrott, R, Shouldice, S.R, Guncar, G. | Deposit date: | 2010-01-05 | Release date: | 2010-03-09 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | Structural and functional characterization of three DsbA paralogues from Salmonella enterica serovar typhimurium J.Biol.Chem., 285, 2010
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3L9U
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3BD2
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3BCK
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4KH3
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![BU of 4kh3 by Molmil](/molmil-images/mine/4kh3) | 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
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1V58
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![BU of 1v58 by Molmil](/molmil-images/mine/1v58) | Crystal Structure Of the Reduced Protein Disulfide Bond Isomerase DsbG | Descriptor: | SULFATE ION, Thiol:disulfide interchange protein dsbG | Authors: | Heras, B, Edeling, M.A, Schirra, H.J, Raina, S, Martin, J.L. | Deposit date: | 2003-11-21 | Release date: | 2004-06-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of the DsbG disulfide isomerase reveal an unstable disulfide Proc.Natl.Acad.Sci.USA, 101, 2004
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1V57
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![BU of 1v57 by Molmil](/molmil-images/mine/1v57) | Crystal Structure of the Disulfide Bond Isomerase DsbG | Descriptor: | SULFATE ION, Thiol:disulfide interchange protein dsbG | Authors: | Heras, B, Edeling, M.A, Schirra, H.J, Raina, S, Martin, J.L. | Deposit date: | 2003-11-21 | Release date: | 2004-06-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of the DsbG disulfide isomerase reveal an unstable disulfide Proc.Natl.Acad.Sci.USA, 101, 2004
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6PBU
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![BU of 6pbu by Molmil](/molmil-images/mine/6pbu) | 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
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6DNL
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![BU of 6dnl by Molmil](/molmil-images/mine/6dnl) | 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
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4GUX
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![BU of 4gux by Molmil](/molmil-images/mine/4gux) | Crystal structure of trypsin:MCoTi-II complex | Descriptor: | ACETATE ION, CALCIUM ION, Cationic trypsin, ... | Authors: | King, G.J, Daly, N.L, Thorstholm, L, Greenwood, K.P, Rosengren, K.J, Heras, B, Craik, D.J, Martin, J.L. | Deposit date: | 2012-08-30 | Release date: | 2013-09-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Structural insights into the role of the cyclic backbone in a squash trypsin inhibitor J.Biol.Chem., 288, 2013
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6WHD
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![BU of 6whd by Molmil](/molmil-images/mine/6whd) | Crystal structure of E.coli DsbA in complex with diaryl ether analogue 2 | Descriptor: | COPPER (II) ION, Thiol:disulfide interchange protein DsbA, [4-(4-cyano-3-methylphenoxy)phenyl]acetic acid | Authors: | Wang, G, Heras, B. | Deposit date: | 2020-04-08 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
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2MBS
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![BU of 2mbs by Molmil](/molmil-images/mine/2mbs) | NMR solution structure of oxidized KpDsbA | Descriptor: | Thiol:disulfide interchange protein | Authors: | Kurth, F, Rimmer, K, Premkumar, L, Mohanty, B, Duprez, W, Halili, M.A, Shouldice, S.R, Heras, B, Fairlie, D.P, Scanlon, M.J, Martin, J.L. | Deposit date: | 2013-08-03 | Release date: | 2013-12-11 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Comparative Sequence, Structure and Redox Analyses of Klebsiella pneumoniae DsbA Show That Anti-Virulence Target DsbA Enzymes Fall into Distinct Classes. Plos One, 8, 2013
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6XSQ
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6XT3
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