7RGV
| |
4MCU
| |
4MLY
| Disulfide isomerase from multidrug resistance IncA/C related integrative and conjugative elements in oxidized state (P21 space group) | Descriptor: | 1,3-BUTANEDIOL, DsbP | Authors: | Premkumar, L, Kurth, F, Neyer, S, Martin, J.L. | Deposit date: | 2013-09-06 | Release date: | 2013-12-11 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.207 Å) | Cite: | The Multidrug Resistance IncA/C Transferable Plasmid Encodes a Novel Domain-swapped Dimeric Protein-disulfide Isomerase. J.Biol.Chem., 289, 2014
|
|
4ML6
| |
4ML1
| |
4OCF
| |
4OCE
| |
4OD7
| |
4P3Y
| |
2G8N
| Structure of hPNMT with inhibitor 3-Hydroxymethyl-7-(N-4-chlorophenylaminosulfonyl)-THIQ and AdoHcy | Descriptor: | (3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Gee, C.L, Martin, J.L. | Deposit date: | 2006-03-02 | Release date: | 2006-09-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Comparison of the Binding of 3-Fluoromethyl-7-sulfonyl-1,2,3,4-tetrahydroisoquinolines with Their Isosteric Sulfonamides to the Active Site of Phenylethanolamine N-Methyltransferase J.Med.Chem., 49, 2006
|
|
2G70
| Structure of human PNMT in complex with inhibitor 3-hydroxymethyl-7-nitro-THIQ and AdoMet (SAM) | Descriptor: | PHOSPHATE ION, Phenylethanolamine N-methyltransferase, S-ADENOSYLMETHIONINE, ... | Authors: | Tyndall, J.D.A, Gee, C.L, Martin, J.L. | Deposit date: | 2006-02-27 | Release date: | 2007-02-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase J.Med.Chem., 50, 2007
|
|
2G71
| Structure of hPNMT with inhibitor 3-fluoromethyl-7-trifluoropropyl-THIQ and AdoHcy | Descriptor: | (3R)-3-(FLUOROMETHYL)-N-(3,3,3-TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, GLYCEROL, Phenylethanolamine N-methyltransferase, ... | Authors: | Tyndall, J.D.A, Gee, C.L, Martin, J.L. | Deposit date: | 2006-02-27 | Release date: | 2007-02-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase J.Med.Chem., 50, 2007
|
|
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
|
|
5TLQ
| Model structure of the oxidized PaDsbA1 and 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine complex | Descriptor: | 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, Thiol:disulfide interchange protein DsbA | Authors: | Mohanty, B, Rimmer, K.A, McMahon, R.M, Headey, S.J, Vazirani, M, Shouldice, S.R, Coincon, M, Tay, S, Morton, C.J, Simpson, J.S, Martin, J.L, Scanlon, M.S. | Deposit date: | 2016-10-11 | Release date: | 2017-04-12 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1. PLoS ONE, 12, 2017
|
|
5U3E
| Crystal Structure of Native Lectin from Canavalia bonariensis Seeds (CaBo) complexed with alpha-methyl-D-mannoside | Descriptor: | CALCIUM ION, Canavalia bonariensis seed lectin, MANGANESE (II) ION, ... | Authors: | Silva, M.T.L, Osterne, V.J.S, Pinto-Junior, V.R, Santiago, M.Q, Araripe, D.A, Neco, A.H.B, Silva-Filho, J.C, Martins, J.L, Rocha, C.R.C, Leal, R.B, Nascimento, K.S, Cavada, B.S. | Deposit date: | 2016-12-02 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Canavalia bonariensis lectin: Molecular bases of glycoconjugates interaction and antiglioma potential. Int. J. Biol. Macromol., 106, 2018
|
|
1BL0
| MULTIPLE ANTIBIOTIC RESISTANCE PROTEIN (MARA)/DNA COMPLEX | Descriptor: | DNA (5'-D(*CP*CP*GP*AP*TP*GP*CP*CP*AP*CP*GP*TP*TP*TP*TP*GP*CP*TP*AP*AP*AP*TP* CP*C)-3'), DNA (5'-D(*GP*GP*GP*GP*AP*TP*TP*TP*AP*GP*CP*AP*AP*AP*AP*CP*GP*TP*GP*GP*CP*AP* TP*C)-3'), PROTEIN (MULTIPLE ANTIBIOTIC RESISTANCE PROTEIN) | Authors: | Davies, S, Rhee, R.G, Martin, J.L, Rosner, D.R. | Deposit date: | 1998-07-22 | Release date: | 1998-09-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A novel DNA-binding motif in MarA: the first structure for an AraC family transcriptional activator. Proc.Natl.Acad.Sci.USA, 95, 1998
|
|
4WET
| Crystal structure of E.Coli DsbA in complex with compound 16 | Descriptor: | 1,2-ETHANEDIOL, N-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-tyrosine, SODIUM ION, ... | Authors: | Ilyichova, O.V, Scanlon, M.J. | Deposit date: | 2014-09-11 | Release date: | 2015-01-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA. Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
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
|
|
6WI6
| Crystal structure of plantacyclin B21AG | Descriptor: | MALONATE ION, Plantacyclin B21AG | Authors: | Smith, A.T, Gor, M.C, Vezina, B, McMahon, R, King, G, Panjikar, S, Rehm, B, Martin, J. | Deposit date: | 2020-04-08 | Release date: | 2021-01-06 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure and site-directed mutagenesis of circular bacteriocin plantacyclin B21AG reveals cationic and aromatic residues important for antimicrobial activity. Sci Rep, 10, 2020
|
|
7JVE
| 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
|
|
1BQ7
| |
8EQQ
| 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
| 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
|
|
8EQP
| 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
|
|
8EQR
| 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
|
|