3PTE
 
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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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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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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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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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3O86
 | | Crystal structure of AmpC beta-lactamase in complex with a sulfonamide boronic acid inhibitor | | Descriptor: | Beta-lactamase, PHOSPHATE ION, {[(benzylsulfonyl)amino]methyl}boronic acid | | Authors: | Eidam, O, Romagnoli, C, Karpiak, J, Shoichet, B.K. | | Deposit date: | 2010-08-02 | | Release date: | 2010-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Design, Synthesis, Crystal Structures, and Antimicrobial Activity of Sulfonamide Boronic Acids as beta-Lactamase Inhibitors
J.Med.Chem., 53, 2010
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3O88
 | | Crystal structure of AmpC beta-lactamase in complex with a sulfonamide boronic acid inhibitor | | Descriptor: | 3-[(2R)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Eidam, O, Romagnoli, C, Karpiak, J, Shoichet, B.K. | | Deposit date: | 2010-08-02 | | Release date: | 2010-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Design, Synthesis, Crystal Structures, and Antimicrobial Activity of Sulfonamide Boronic Acids as beta-Lactamase Inhibitors
J.Med.Chem., 53, 2010
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3RJU
 | | Crystal Structure of Beta-lactamase/D-alanine Carboxypeptidase from Yersinia pestis complexed with citrate | | Descriptor: | Beta-lactamase/D-alanine Carboxypeptidase, CITRIC ACID, GLYCEROL | | Authors: | Kim, Y, Zhou, M, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-04-15 | | Release date: | 2011-04-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of Beta-lactamase/D-alanine Carboxypeptidase from Yersinia pestis complexed with citrate
To be Published
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3S22
 | | AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA) in complex with an inhibitor | | Descriptor: | Beta-lactamase, CHLORIDE ION, [(2S,3R)-2-formyl-1-{[4-(methylamino)butyl]carbamoyl}pyrrolidin-3-yl]sulfamic acid | | Authors: | Scapin, G, Lu, J, Fitzgerald, P.M.D, Sharma, N. | | Deposit date: | 2011-05-16 | | Release date: | 2011-06-29 | | Last modified: | 2013-06-26 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Side chain SAR of bicyclic Beta-lactamase inhibitors (BLIs). 2. N-Alkylated and open chain analogs of MK-8712
Bioorg.Med.Chem.Lett., 21, 2011
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4QD4
 | | Structure of ADC-68, a Novel Carbapenem-Hydrolyzing Class C Extended-Spectrum -Lactamase from Acinetobacter baumannii | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase ADC-68, CITRIC ACID | | Authors: | Hong, M.K, Kang, L.W. | | Deposit date: | 2014-05-13 | | Release date: | 2015-01-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of ADC-68, a novel carbapenem-hydrolyzing class C extended-spectrum beta-lactamase isolated from Acinetobacter baumannii
Acta Crystallogr.,Sect.D, 70, 2014
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2DCF
 | | Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/H266N mutant with substrate | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ... | | Authors: | Ohki, T, Shibata, N, Higuchi, Y, Takeo, M, Negoro, S. | | Deposit date: | 2006-01-06 | | Release date: | 2007-01-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Nylon-oligomer degrading enzyme/substrate complex: catalytic mechanism of 6-aminohexanoate-dimer hydrolase
J.Mol.Biol., 370, 2007
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2DRW
 | | The crystal structutre of D-amino acid amidase from Ochrobactrum anthropi SV3 | | Descriptor: | BARIUM ION, D-Amino acid amidase | | Authors: | Okazaki, S, Suzuki, A, Komeda, H, Asano, Y, Yamane, T. | | Deposit date: | 2006-06-15 | | Release date: | 2006-07-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure and Functional Characterization of a D-Stereospecific Amino Acid Amidase from Ochrobactrum anthropi SV3, a New Member of the Penicillin-recognizing Proteins
J.Mol.Biol., 368, 2007
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2DNS
 | | The crystal structure of D-amino acid amidase from Ochrobactrum anthropi SV3 complexed with D-Phenylalanine | | Descriptor: | BARIUM ION, D-PHENYLALANINE, D-amino acid amidase | | Authors: | Okazaki, S, Suzuki, A, Komeda, H, Asano, Y, Yamane, T. | | Deposit date: | 2006-04-26 | | Release date: | 2006-05-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure and Functional Characterization of a D-Stereospecific Amino Acid Amidase from Ochrobactrum anthropi SV3, a New Member of the Penicillin-recognizing Proteins
J.Mol.Biol., 368, 2007
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2EFX
 | | The crystal structure of D-amino acid amidase from Ochrobactrum anthropi SV3 complexed with L-phenylalanine amide | | Descriptor: | BARIUM ION, D-amino acid amidase, PHENYLALANINE AMIDE | | Authors: | Okazaki, S, Suzuki, A, Mizushima, T, Komeda, H, Asano, Y, Yamane, T. | | Deposit date: | 2007-02-26 | | Release date: | 2007-03-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of D-amino-acid amidase complexed with L-phenylalanine and with L-phenylalanine amide: insight into the D-stereospecificity of D-amino-acid amidase from Ochrobactrum anthropi SV3.
Acta Crystallogr.,Sect.D, 64, 2008
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2EFU
 | | The crystal structure of D-amino acid amidase from Ochrobactrum anthropi SV3 complexed with L-phenylalanine | | Descriptor: | BARIUM ION, D-Amino acid amidase, PHENYLALANINE | | Authors: | Okazaki, S, Suzuki, A, Mizushima, T, Komeda, H, Asano, Y, Yamane, T. | | Deposit date: | 2007-02-26 | | Release date: | 2007-03-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of D-amino-acid amidase complexed with L-phenylalanine and with L-phenylalanine amide: insight into the D-stereospecificity of D-amino-acid amidase from Ochrobactrum anthropi SV3.
Acta Crystallogr.,Sect.D, 64, 2008
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8AIK
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8AKH
 | | Crystal structure of DltE from L. plantarum soaked with LTA | | Descriptor: | Beta-lactamase family protein, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Ravaud, S, Nikolopoulos, N, Grangeasse, C. | | Deposit date: | 2022-07-29 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-function analysis of Lactiplantibacillus plantarum DltE& reveals D-alanylated lipoteichoic acids as direct cues supporting Drosophila juvenile growth.
Elife, 12, 2023
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8AJI
 | | Crystal structure of DltE from L. plantarum, TCEP form | | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, Beta-lactamase family protein, GLYCEROL, ... | | Authors: | Ravaud, S, Nikolopoulos, N, Grangeasse, C. | | Deposit date: | 2022-07-28 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structure-function analysis of Lactiplantibacillus plantarum DltE& reveals D-alanylated lipoteichoic acids as direct cues supporting Drosophila juvenile growth.
Elife, 12, 2023
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8AGR
 | | Crystal structure of DltE from L. plantarum, apo form | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase family protein, SULFATE ION | | Authors: | Ravaud, S, Nikolopoulos, N, Grangeasse, C. | | Deposit date: | 2022-07-20 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structure-function analysis of Lactiplantibacillus plantarum DltE& reveals D-alanylated lipoteichoic acids as direct cues supporting Drosophila juvenile growth.
Elife, 12, 2023
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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
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2FFY
 | | AmpC beta-lactamase N289A mutant in complex with a boronic acid deacylation transition state analog compound SM3 | | Descriptor: | (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION, ... | | Authors: | Chen, Y, Minasov, G, Roth, T.A, Prati, F, Shoichet, B.K. | | Deposit date: | 2005-12-20 | | Release date: | 2006-03-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | The deacylation mechanism of AmpC beta-lactamase at ultrahigh resolution
J.Am.Chem.Soc., 128, 2006
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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
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2HDR
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