5W12
| |
5WAE
| ADC-7 in complex with boronic acid transition state inhibitor CR167 | Descriptor: | 3-(5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl)benzoic acid, Beta-lactamase | Authors: | Powers, R.A, Wallar, B.J. | Deposit date: | 2017-06-26 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.804 Å) | Cite: | Structure-Based Analysis of Boronic Acids as Inhibitors of Acinetobacter-Derived Cephalosporinase-7, a Unique Class C beta-Lactamase. ACS Infect Dis, 4, 2018
|
|
4EQW
| Crystal Structure of the Y361F, Y419F Mutant of Staphylococcus aureus CoADR | Descriptor: | CHLORIDE ION, COENZYME A, Coenzyme A disulfide reductase, ... | Authors: | Edwards, J.S, Wallace, B.D, Wallen, J.R, Claiborne, A, Redinbo, M.R. | Deposit date: | 2012-04-19 | Release date: | 2012-10-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights. Biochemistry, 51, 2012
|
|
4EMW
| Crystal Structure of Staphylococcus aureus bound with the covalent inhibitor EtVC-CoA | Descriptor: | CHLORIDE ION, Coenzyme A disulfide reductase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Edwards, J.S, Wallace, B.D, Claiborne, A, Redinbo, M.R. | Deposit date: | 2012-04-12 | Release date: | 2012-10-17 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights. Biochemistry, 51, 2012
|
|
4EQX
| Crystal Structure of the C43S Mutant of Staphylococcus aureus CoADR | Descriptor: | CHLORIDE ION, Coenzyme A disulfide reductase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Edwards, J.S, Wallace, B.D, Wallen, J.R, Claiborne, A, Redinbo, M.R. | Deposit date: | 2012-04-19 | Release date: | 2012-10-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights. Biochemistry, 51, 2012
|
|
5HVD
| Full length Open-form Sodium Channel NavMs I218C | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DODECAETHYLENE GLYCOL, HEGA-10, ... | Authors: | Sula, A, Booker, J.E, Naylor, C.E, Wallace, B.A. | Deposit date: | 2016-01-28 | Release date: | 2017-03-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The complete structure of an activated open sodium channel. Nat Commun, 8, 2017
|
|
4U0X
| Structure of ADC-7 beta-lactamase in complex with boronic acid inhibitor S02030 | Descriptor: | 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, ADC-7 beta-lactamase, PHOSPHATE ION | Authors: | Powers, R.A, Wallar, B.J, Swanson, H.C. | Deposit date: | 2014-07-14 | Release date: | 2014-11-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Biochemical and Structural Analysis of Inhibitors Targeting the ADC-7 Cephalosporinase of Acinetobacter baumannii. Biochemistry, 53, 2014
|
|
4U0T
| Crystal structure of ADC-7 beta-lactamase | Descriptor: | ADC-7 beta-lactamase, PHOSPHATE ION | Authors: | Powers, R.A, Wallar, B.J. | Deposit date: | 2014-07-14 | Release date: | 2014-11-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Biochemical and Structural Analysis of Inhibitors Targeting the ADC-7 Cephalosporinase of Acinetobacter baumannii. Biochemistry, 53, 2014
|
|
6PWL
| ADC-7 in complex with boronic acid transition state inhibitor LP06 | Descriptor: | (7Z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid, Beta-lactamase, GLYCINE | Authors: | Curtis, B.C, Powers, R.A, Wallar, B.J. | Deposit date: | 2019-07-23 | Release date: | 2020-10-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural Insights into Inhibition of the Acinetobacter-Derived Cephalosporinase ADC-7 by Ceftazidime and Its Boronic Acid Transition State Analog. Antimicrob.Agents Chemother., 64, 2020
|
|
6PWM
| ADC-7 in complex with Beta-lactam antibiotic ceftazidime | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase, GLYCINE | Authors: | Curtis, B.C, Powers, R.A, Wallar, B.J. | Deposit date: | 2019-07-23 | Release date: | 2020-10-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Insights into Inhibition of the Acinetobacter-Derived Cephalosporinase ADC-7 by Ceftazidime and Its Boronic Acid Transition State Analog. Antimicrob.Agents Chemother., 64, 2020
|
|
4X89
| NavMs voltage-gated sodium channal pore and C-terminal domain soaked with Silver nitrate | Descriptor: | HEGA-10, Ion transport protein, PENTAETHYLENE GLYCOL, ... | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | Deposit date: | 2014-12-10 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Molecular basis of ion permeability in a voltage-gated sodium channel. Embo J., 35, 2016
|
|
5BZB
| NavMs voltage-gated sodium channel pore and C-terminal domain | Descriptor: | DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ... | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | Deposit date: | 2015-06-11 | Release date: | 2016-02-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular basis of ion permeability in a voltage-gated sodium channel. Embo J., 35, 2016
|
|
4X8A
| NavMS pore and C-terminal domain grown from protein purified in LiCl | Descriptor: | HEGA-10, Ion transport protein, NONAETHYLENE GLYCOL, ... | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | Deposit date: | 2014-12-10 | Release date: | 2016-03-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Molecular basis of ion permeability in a voltage-gated sodium channel. Embo J., 35, 2016
|
|
8FQM
| ADC-7 in complex with boronic acid transition state inhibitor MB076 | Descriptor: | 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, GLYCINE | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Fernando, M.C. | Deposit date: | 2023-01-06 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum. J.Med.Chem., 66, 2023
|
|
8FQS
| ADC-212 in complex with boronic acid transition state inhibitor MB076 | Descriptor: | 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ... | Authors: | Powers, R.A, Wallar, B.J, June, C.M. | Deposit date: | 2023-01-06 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum. J.Med.Chem., 66, 2023
|
|
8FQQ
| ADC-162 in complex with boronic acid transition state inhibitor MB076 | Descriptor: | 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, GLYCINE, ... | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Fernando, M.C. | Deposit date: | 2023-01-06 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum. J.Med.Chem., 66, 2023
|
|
5CZK
| Structure of E. coli beta-glucuronidase bound with a novel, potent inhibitor 1-((6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl)-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea | Descriptor: | 1-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea, Beta-glucuronidase | Authors: | Roberts, A.R, Wallace, B.R, Redinbo, M.R. | Deposit date: | 2015-07-31 | Release date: | 2015-10-14 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure and Inhibition of Microbiome beta-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity. Chem.Biol., 22, 2015
|
|
4X88
| E178D Selectivity filter mutant of NavMS voltage-gated pore | Descriptor: | HEGA-10, Ion transport protein, PENTAETHYLENE GLYCOL, ... | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | Deposit date: | 2014-12-10 | Release date: | 2016-02-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Molecular basis of ion permeability in a voltage-gated sodium channel. Embo J., 35, 2016
|
|
6SXF
| Crystal Structure of the Voltage-Gated Sodium Channel NavMs (F208L) in complex with Tamoxifen (2.8 Angstrom resolution) | Descriptor: | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE, DODECAETHYLENE GLYCOL, HEGA-10, ... | Authors: | Sula, A, Hollingworth, D, Wallace, B.A. | Deposit date: | 2019-09-25 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.839 Å) | Cite: | A tamoxifen receptor within a voltage-gated sodium channel. Mol.Cell, 81, 2021
|
|
8FQW
| ADC-30 in complex with boronic acid transition state inhibitor MB076 | Descriptor: | 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ... | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Ruiz, V.J. | Deposit date: | 2023-01-06 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum. J.Med.Chem., 66, 2023
|
|
8FQR
| Apo ADC-212 beta-lactamase | Descriptor: | Beta-lactamase, GLYCINE, PHOSPHATE ION | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Beardsley, T.J. | Deposit date: | 2023-01-06 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum. J.Med.Chem., 66, 2023
|
|
8FQV
| apo ADC-30 beta-lactamase | Descriptor: | Beta-lactamase, PHOSPHATE ION | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Ruiz, V.J. | Deposit date: | 2023-01-06 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum. J.Med.Chem., 66, 2023
|
|
5KIV
| Crystal structure of SauMacro (SAV0325) | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, Protein-ADP-ribose hydrolase, ... | Authors: | Williams, R.S, Appel, C.D, Feld, G.K, Wallace, B.D. | Deposit date: | 2016-06-17 | Release date: | 2016-07-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of the sirtuin-linked macrodomain SAV0325 from Staphylococcus aureus. Protein Sci., 25, 2016
|
|
6TZH
| ADC-7 in complex with boronic acid transition state inhibitor S06015 | Descriptor: | Beta-lactamase, GLYCINE, PHOSPHATE ION, ... | Authors: | Fish, E.R, Powers, R.A, Wallar, B.J. | Deposit date: | 2019-08-12 | Release date: | 2020-06-24 | Last modified: | 2020-07-22 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | 1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase. Acs Infect Dis., 6, 2020
|
|
7N3Y
| Crystal Structure of Saccharomyces cerevisiae Apn2 Catalytic Domain E59Q/D222N Mutant in Complex with DNA | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ... | Authors: | Wojtaszek, J.L, Krahn, J, Wallace, B.D, Williams, R.S. | Deposit date: | 2021-06-02 | Release date: | 2022-09-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Molecular basis for processing of topoisomerase 1-triggered DNA damage by Apn2/APE2. Cell Rep, 41, 2022
|
|