7EPW
 
 | | Crystal structure of monooxygenase Tet(X4) with tigecycline | | Descriptor: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Flavin-dependent monooxygenase, TIGECYCLINE | | Authors: | Cheng, Q, Chen, S. | | Deposit date: | 2021-04-28 | | Release date: | 2021-11-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Structural and mechanistic basis of the high catalytic activity of monooxygenase Tet(X4) on tigecycline.
Bmc Biol., 19, 2021
|
|
7EPV
 | | Crystal structure of tigecycline degrading monooxygenase Tet(X4) | | Descriptor: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Flavin-dependent monooxygenase, GLYCEROL | | Authors: | Cheng, Q, Chen, S. | | Deposit date: | 2021-04-27 | | Release date: | 2021-11-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural and mechanistic basis of the high catalytic activity of monooxygenase Tet(X4) on tigecycline.
Bmc Biol., 19, 2021
|
|
5ZB7
 | | CTX-M-64 apoenzyme | | Descriptor: | Beta-lactamase | | Authors: | Cheng, Q, Chen, S. | | Deposit date: | 2018-02-10 | | Release date: | 2019-02-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution.
Acs Infect Dis., 6, 2020
|
|
6ITY
 | | CTX-M-64 sulbactam complex | | Descriptor: | ACRYLIC ACID, Beta-lactamase, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM | | Authors: | Cheng, Q, Chen, S. | | Deposit date: | 2018-11-26 | | Release date: | 2019-10-30 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution.
Acs Infect Dis., 6, 2020
|
|
6J2B
 | | CTX-M-64 beta-lactamase S130T sulbactam complex | | Descriptor: | Beta-lactamase, GLYCEROL, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM | | Authors: | Cheng, Q, Chen, S. | | Deposit date: | 2018-12-31 | | Release date: | 2019-10-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution.
Acs Infect Dis., 6, 2020
|
|
6J2O
 | | Crystal structure of CTX-M-64 clavulanic acid complex | | Descriptor: | (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal, Beta-lactamase | | Authors: | Cheng, Q, Chen, S. | | Deposit date: | 2019-01-02 | | Release date: | 2019-10-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution.
Acs Infect Dis., 6, 2020
|
|
6J25
 | | CTX-M-64 beta-lactamase mutant-S130T | | Descriptor: | Beta-lactamase | | Authors: | Cheng, Q, Chen, S. | | Deposit date: | 2018-12-30 | | Release date: | 2019-10-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution.
Acs Infect Dis., 6, 2020
|
|
6J2K
 | | CTX-M-64 beta-lactamase S130T clavulanic acid complex | | Descriptor: | (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal, Beta-lactamase | | Authors: | Cheng, Q, Chen, S. | | Deposit date: | 2019-01-01 | | Release date: | 2019-10-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution.
Acs Infect Dis., 6, 2020
|
|
3EAO
 | | Crystal structure of recombinant rat selenoprotein thioredoxin reductase 1 with oxidized C-terminal tail | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase 1, ... | | Authors: | Sandalova, T, Cheng, Q, Lindqvist, Y, Arner, E. | | Deposit date: | 2008-08-26 | | Release date: | 2008-12-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structure and catalysis of the selenoprotein thioredoxin reductase 1.
J.Biol.Chem., 284, 2009
|
|
3EAN
 | | Crystal structure of recombinant rat selenoprotein thioredoxin reductase 1 with reduced C-terminal tail | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase 1 | | Authors: | Sandalova, T, Cheng, Q, Lindqvist, Y, Arner, E. | | Deposit date: | 2008-08-26 | | Release date: | 2008-12-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal structure and catalysis of the selenoprotein thioredoxin reductase 1.
J.Biol.Chem., 284, 2009
|
|
6JV4
 | | Crystal structure of metallo-beta-lactamase VMB-1 | | Descriptor: | CITRIC ACID, VMB-1, ZINC ION | | Authors: | Cheng, Q, Chen, S. | | Deposit date: | 2019-04-15 | | Release date: | 2019-11-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Genetic and Biochemical Characterization of VMB-1, a Novel Metallo-beta-Lactamase Encoded by a Conjugative, Broad-Host Range IncC Plasmid from Vibrio spp.
Adv Biosyst, 4, 2020
|
|
6LFD
 | |
6LF4
 | | Crystal structure of VMB-1 bound to hydrolyzed meropenem | | Descriptor: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, VMB-1 metallo-beta-lactamase, ZINC ION | | Authors: | Cheng, Q, Chen, S. | | Deposit date: | 2019-11-28 | | Release date: | 2020-03-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal structure of VMB-1 bound to hydrolyzed meropenem
To Be Published
|
|
7P0X
 | | Crystal structure of Thioredoxin reductase from Brugia Malayi | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Fata, F, Ardini, M, Silvestri, I, Gabriele, F, Cheng, Q, Arner, E.S.J, Williams, D.L. | | Deposit date: | 2021-06-30 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Biochemical and structural characterizations of thioredoxin reductase selenoproteins of the parasitic filarial nematodes Brugia malayi and Onchocerca volvulus.
Redox Biol, 51, 2022
|
|
7PVJ
 | | Crystal structure of Thioredoxin Reductase from Brugia Malayi in complex with auranofin | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Fata, F, Ardini, M, Silvestri, I, Gabriele, F, Ippoliti, R, Gencheva, R, Cheng, Q, Arner, E.S.J, Angelucci, F, Williams, D.L. | | Deposit date: | 2021-10-04 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Biochemical and structural characterizations of thioredoxin reductase selenoproteins of the parasitic filarial nematodes Brugia malayi and Onchocerca volvulus.
Redox Biol, 51, 2022
|
|
7PUT
 | | Crystal structure of Thioredoxin Reductase from Brugia Malayi in complex with NADP(H) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Fata, F, Ardini, M, Silvestri, I, Gabriele, F, Ippoliti, R, Gencheva, R, Cheng, Q, Arner, E.S.J, Angelucci, F, Williams, D.L. | | Deposit date: | 2021-09-30 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Biochemical and structural characterizations of thioredoxin reductase selenoproteins of the parasitic filarial nematodes Brugia malayi and Onchocerca volvulus.
Redox Biol, 51, 2022
|
|
6EDR
 | | Crystal Structure of Human CD38 in Complex with 4'-Thioribose NAD+ | | Descriptor: | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-yl)-3,4-bis(oxidanyl)thiolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Dai, Z, Zhang, X.N, Nasertorabi, F, Cheng, Q, Pei, H, Louie, S.G, Stevens, C.R, Zhang, Y. | | Deposit date: | 2018-08-10 | | Release date: | 2018-11-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Facile chemoenzymatic synthesis of a novel stable mimic of NAD.
Chem Sci, 9, 2018
|
|
6R48
 | |
6R46
 | |
6RNW
 | |
6RNV
 | |
5GOV
 | | Crystal Structure of MCR-1, a phosphoethanolamine transferase, extracellular domain | | Descriptor: | Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION | | Authors: | Hu, M, Guo, J, Chen, S, Hao, Q. | | Deposit date: | 2016-07-29 | | Release date: | 2016-12-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystal Structure of Escherichia coli originated MCR-1, a phosphoethanolamine transferase for Colistin Resistance.
Sci Rep, 6, 2016
|
|
6FP4
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1,8-Naphthyridine-2-carboxylic acid | | Descriptor: | (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid, 1,8-naphthyridine-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Silvestri, I, Fata, F, MIele, A.E, Boumis, G, Williams, D.L, Angelucci, F. | | Deposit date: | 2018-02-09 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry.
ACS Chem. Biol., 13, 2018
|
|
6FMZ
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1,4-Bis(2-hydroxyethyl)piperazine | | Descriptor: | 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | | Authors: | Silvestri, I, Fata, F, MIele, A.E, Boumis, G, Williams, D.L, Angelucci, F. | | Deposit date: | 2018-02-02 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry.
ACS Chem. Biol., 13, 2018
|
|
6FTC
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with HEPES | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Silvestri, I, Fata, F, MIele, A.E, Boumis, G, Williams, D.L, Angelucci, F. | | Deposit date: | 2018-02-21 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry.
ACS Chem. Biol., 13, 2018
|
|
