5CHU
 
 | | CRYSTAL STRUCTURE OF Fox-4 cephamycinase complexed with sulfate | | Descriptor: | ACETATE ION, Beta-lactamase, SULFATE ION, ... | | Authors: | Malashkevich, V.N, Toro, R, Lefurgy, S, Almo, S.C. | | Deposit date: | 2015-07-10 | | Release date: | 2016-08-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | CRYSTAL STRUCTURE OF Fox-4 cephamycinase complexed with sulfate
To Be Published
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5CGS
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5CGX
 | | CRYSTAL STRUCTURE OF Fox-4 cephamycinase mutant Y150F complexed with cefoxitin | | Descriptor: | (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, SODIUM ION, ... | | Authors: | Malashkevich, V.N, Toro, R, Lefurgy, S, Almo, S.C. | | Deposit date: | 2015-07-09 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | FOX-4 cephamycinase: an analysis of structure and function.
Antimicrob.Agents Chemother., 2015
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5CGW
 | | CRYSTAL STRUCTURE OF Fox-4 cephamycinase mutant Y150F | | Descriptor: | ACETATE ION, Beta-lactamase, ZINC ION | | Authors: | Malashkevich, V.N, Toro, R, Lefurgy, S, Almo, S.C. | | Deposit date: | 2015-07-09 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | FOX-4 cephamycinase: an analysis of structure and function.
Antimicrob.Agents Chemother., 2015
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5CHJ
 | | CRYSTAL STRUCTURE OF Fox-4 cephamycinase complexed with cephalothin BATSI (SM23) | | Descriptor: | (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, ACETATE ION, Beta-lactamase, ... | | Authors: | Malashkevich, V.N, Toro, R, Lefurgy, S, Almo, S.C. | | Deposit date: | 2015-07-10 | | Release date: | 2016-08-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.358 Å) | | Cite: | Structures of FOX-4 Cephamycinase in Complex with Transition-State Analog Inhibitors.
Biomolecules, 10, 2020
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8FQT
 | | Apo ADC-219 beta-lactamase | | Descriptor: | Beta-lactamase, PHOSPHATE ION | | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Maurer, O.L. | | Deposit date: | 2023-01-06 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.89 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
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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
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5E2H
 | | Crystal Structure of D-alanine Carboxypeptidase AmpC from Mycobacterium smegmatis | | Descriptor: | Beta-lactamase, CHLORIDE ION, GLYCEROL | | Authors: | Kim, Y, Hatzos-Skintges, C, Endres, M, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-10-01 | | Release date: | 2015-10-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of D-alanine Carboxypeptidase AmpC from Mycobacterium smegmatis
To Be Published
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8FEK
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5E2G
 | | Crystal Structure of D-alanine Carboxypeptidase AmpC from Burkholderia cenocepacia | | Descriptor: | ACETIC ACID, Beta-lactamase, THIOCYANATE ION | | Authors: | Kim, Y, Joachimiak, G, Endres, M, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-10-01 | | Release date: | 2015-10-14 | | Method: | X-RAY DIFFRACTION (1.651 Å) | | Cite: | Crystal Structure of D-alanine Carboxypeptidase AmpC from Burkholderia cenocepacia
To Be Published
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8FQO
 | | ADC-33 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, PHOSPHATE ION | | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Fish, E.R. | | Deposit date: | 2023-01-06 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.83 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
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8FQN
 | | apo ADC-33 beta-lactamase | | Descriptor: | Beta-lactamase, GLYCINE, PHOSPHATE ION | | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Fish, E.R. | | Deposit date: | 2023-01-06 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.256 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
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8FQP
 | | apo ADC-162 beta-lactamase | | Descriptor: | Beta-lactamase, GLYCINE, PHOSPHATE ION | | 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: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.419 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
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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
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8FQU
 | | ADC-219 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, Maurer, O.L. | | Deposit date: | 2023-01-06 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.49 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
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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
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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
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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
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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
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5F1G
 | | Crystal structure of AmpC BER adenylylated in the cytoplasm | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Beta-lactamase, ... | | Authors: | An, Y.J, Kim, M.K, Na, J.H, Cha, S.S. | | Deposit date: | 2015-11-30 | | Release date: | 2016-12-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural and mechanistic insights into the inhibition of class C beta-lactamases through the adenylylation of the nucleophilic serine.
J.Antimicrob.Chemother., 72, 2017
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5EVI
 | | Crystal Structure of Beta-Lactamase/D-Alanine Carboxypeptidase from Pseudomonas syringae | | Descriptor: | 1,2-ETHANEDIOL, Beta-Lactamase/D-Alanine Carboxypeptidase, SULFATE ION | | Authors: | Kim, Y, Hatzos-Skintges, C, Endres, M, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-11-19 | | Release date: | 2016-01-13 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Beta-Lactamase/D-Alanine Carboxypeptidase from Pseudomonas syringae
To Be Published
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5EVL
 | | Crystal Structure of Beta-Lactamase/D-Alanine Carboxypeptidase from Chromobacterium violaceum | | Descriptor: | Beta-lactamase, CHLORIDE ION, GLYCEROL, ... | | Authors: | Kim, Y, Hatzos-Skintges, C, Endres, M, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-11-19 | | Release date: | 2015-12-02 | | Last modified: | 2019-11-27 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Crystal Structure of Beta-Lactamase/D-Alanine Carboxypeptidase from Chromobacterium violaceum
To Be Published
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5F1F
 | | Crystal structure of CMY-10 adenylylated by acetyl-AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, Beta-lactamase, CADMIUM ION | | Authors: | An, Y.J, Kim, M.K, Na, J.H, Cha, S.S. | | Deposit date: | 2015-11-30 | | Release date: | 2016-12-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.548 Å) | | Cite: | Structural and mechanistic insights into the inhibition of class C beta-lactamases through the adenylylation of the nucleophilic serine.
J.Antimicrob.Chemother., 72, 2017
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5GMX
 | | Crystal structure of a family VIII carboxylesterase | | Descriptor: | Carboxylesterase, phenylmethanesulfonic acid | | Authors: | An, Y.J, Cha, S.S. | | Deposit date: | 2016-07-18 | | Release date: | 2017-07-26 | | Last modified: | 2019-02-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of EstSRT1, a family VIII carboxylesterase displaying hydrolytic activity toward oxyimino cephalosporins
Biochem. Biophys. Res. Commun., 478, 2016
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5GHY
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