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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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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4MCU
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4NXI
 | | Rv2466c Mediates the Activation of TP053 To Kill Replicating and Non-replicating Mycobacterium tuberculosis | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Uncharacterized protein | | Authors: | Albesa-Jove, D, Urresti, S, Comino, N, Guerin, M.E. | | Deposit date: | 2013-12-09 | | Release date: | 2014-10-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Rv2466c mediates the activation of TP053 to kill replicating and non-replicating Mycobacterium tuberculosis.
Acs Chem.Biol., 9, 2014
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4OCF
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4OCE
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4OD7
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4WF4
 | | Crystal structure of E.Coli DsbA co-crystallised in complex with compound 4 | | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid, Thiol:disulfide interchange protein | | Authors: | Adams, L.A, Sharma, P, Mohanty, B, Ilyichova, O.V, Mulcair, M.D, Williams, M.L, Gleeson, E.C, Totsika, M, Doak, B.C, Caria, S, Rimmer, K, Shouldice, S.R, Vazirani, M, Headey, S.J, Plumb, B.R, Martin, J.L, Heras, B, Simpson, J.S, Scanlon, M.J. | | Deposit date: | 2014-09-12 | | Release date: | 2015-01-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA.
Angew.Chem.Int.Ed.Engl., 54, 2015
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5CNW
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5CO3
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5CP1
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5COH
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5DCH
 | | Crystal structure of Pseudomonas aeruginosa DsbA E82I in complex with MIPS-0000851 (3-[(2-METHYLBENZYL)SULFANYL]-4H-1,2,4-TRIAZOL-4-AMINE) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, GLYCEROL, ... | | Authors: | McMahon, R.M, Martin, J.L. | | Deposit date: | 2015-08-24 | | Release date: | 2016-10-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.447 Å) | | Cite: | Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1.
PLoS ONE, 12, 2017
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4ZIJ
 | | Crystal structure of E.Coli DsbA in complex with 2-(4-iodophenylsulfonamido) benzoic acid | | Descriptor: | 1,2-ETHANEDIOL, 2-{[(4-iodophenyl)sulfonyl]amino}benzoic acid, Thiol:disulfide interchange protein DsbA | | Authors: | Vazirani, M, Ilyichova, O.V, Scanlon, M.J. | | Deposit date: | 2015-04-28 | | Release date: | 2016-05-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Determination of ligand binding modes in weak protein-ligand complexes using sparse NMR data.
J.Biomol.Nmr, 66, 2016
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4ZIL
 | | Crystal structure of Rv2466c and oxidoreductase from Mycobacterium tuberculosis in its reduced state | | Descriptor: | DSBA oxidoreductase, MAGNESIUM ION | | Authors: | Albesa-Jove, D, Urresti, S, Comino, N, Tersa, M, Guerin, M.E. | | Deposit date: | 2015-04-28 | | Release date: | 2015-11-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.507 Å) | | Cite: | The Redox State Regulates the Conformation of Rv2466c to Activate the Antitubercular Prodrug TP053.
J.Biol.Chem., 290, 2015
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4ZL7
 | | Crystal structure of Pseudomonas aeruginosa DsbA E82I: Crystal I | | Descriptor: | HEXAETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA | | Authors: | McMahon, R.M, Martin, J.L. | | Deposit date: | 2015-05-01 | | Release date: | 2015-12-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.922 Å) | | Cite: | Sent packing: protein engineering generates a new crystal form of Pseudomonas aeruginosa DsbA1 with increased catalytic surface accessibility.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
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5E59
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4ZL8
 | | Crystal structure of Pseudomonas aeruginosa DsbA E82I: Crystal II | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Thiol:disulfide interchange protein DsbA | | Authors: | McMahoh, R.M, Martin, J.L. | | Deposit date: | 2015-05-01 | | Release date: | 2015-12-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.395 Å) | | Cite: | Sent packing: protein engineering generates a new crystal form of Pseudomonas aeruginosa DsbA1 with increased catalytic surface accessibility.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
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4ZL9
 | | Crystal structure of Pseudomonas aeruginosa DsbA E82I: Crystal III | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, TETRAETHYLENE GLYCOL, ... | | Authors: | McMahon, R.M, Martin, J.L. | | Deposit date: | 2015-05-01 | | Release date: | 2015-12-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Sent packing: protein engineering generates a new crystal form of Pseudomonas aeruginosa DsbA1 with increased catalytic surface accessibility.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
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2IMD
 | | Structure of SeMet 2-hydroxychromene-2-carboxylate isomerase (HCCA isomerase) | | Descriptor: | (2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID, (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-3-ENOIC ACID, 2-hydroxychromene-2-carboxylate isomerase, ... | | Authors: | Thompson, L.C, Ladner, J.E, Codreanu, S.G, Harp, J, Gilliland, G.L, Armstrong, R.N. | | Deposit date: | 2006-10-04 | | Release date: | 2007-06-12 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | 2-Hydroxychromene-2-carboxylic Acid Isomerase: A Kappa Class Glutathione Transferase from Pseudomonas putida
Biochemistry, 46, 2007
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2IMF
 | | 2-Hydroxychromene-2-carboxylate Isomerase: a Kappa Class Glutathione-S-Transferase from Pseudomonas putida | | Descriptor: | 2-hydroxychromene-2-carboxylate isomerase, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, 4-(2-METHOXYPHENYL)-2-OXOBUT-3-ENOIC ACID, ... | | Authors: | Thompson, L.C, Ladner, J.E, Codreanu, S.G, Harp, J, Gilliland, G.L, Armstrong, R.N. | | Deposit date: | 2006-10-04 | | Release date: | 2007-06-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | 2-Hydroxychromene-2-carboxylic acid isomerase: a kappa class glutathione transferase from Pseudomonas putida.
Biochemistry, 46, 2007
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2IN3
 | | Crystal structure of a putative protein disulfide isomerase from Nitrosomonas europaea | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Hypothetical protein, ... | | Authors: | Cuff, M.E, Skarina, T, Onopriyenko, O, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-10-05 | | Release date: | 2006-11-21 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of a putative protein disulfide isomerase from Nitrosomonas europaea
To be Published
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2IME
 | | 2-Hydroxychromene-2-carboxylate Isomerase: a Kappa Class Glutathione-S-Transferase from Pseudomonas putida | | Descriptor: | (2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID, (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-3-ENOIC ACID, 2-hydroxychromene-2-carboxylate isomerase, ... | | Authors: | Thompson, L.C, Ladner, J.E, Codreanu, S.G, Harp, J, Gilliland, G.L, Armstrong, R.N. | | Deposit date: | 2006-10-04 | | Release date: | 2007-06-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 2-Hydroxychromene-2-carboxylic Acid Isomerase: A Kappa Class Glutathione Transferase from Pseudomonas putida
Biochemistry, 46, 2007
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2IJY
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3FZ5
 | | Crystal structure of possible 2-hydroxychromene-2-carboxylate isomerase from Rhodobacter sphaeroides | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLUTATHIONE, ... | | Authors: | Chang, C, Hatzos, C, Freeman, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-01-23 | | Release date: | 2009-02-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of possible 2-hydroxychromene-2-carboxylate isomerase from Rhodobacter sphaeroides
To be Published
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