4UA7
 
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4UAA
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4UA6
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4FCF
 | | K234R: apo structure of inhibitor resistant beta-lactamase | | 分子名称: | 2-AMINOETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | | 著者 | Rodkey, E.A, van den Akker, F. | | 登録日 | 2012-05-24 | | 公開日 | 2012-12-26 | | 最終更新日 | 2013-10-02 | | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | | 主引用文献 | Design and exploration of novel boronic acid inhibitors reveals important interactions with a clavulanic acid-resistant sulfhydryl-variable (SHV) beta-lactamase.
J.Med.Chem., 56, 2013
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3O87
 | | Crystal structure of AmpC beta-lactamase in complex with a sulfonamide boronic acid inhibitor | | 分子名称: | 4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, PHOSPHATE ION | | 著者 | Eidam, O, Romagnoli, C, Karpiak, J, Shoichet, B.K. | | 登録日 | 2010-08-02 | | 公開日 | 2010-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Design, Synthesis, Crystal Structures, and Antimicrobial Activity of Sulfonamide Boronic Acids as beta-Lactamase Inhibitors
J.Med.Chem., 53, 2010
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3O86
 | | Crystal structure of AmpC beta-lactamase in complex with a sulfonamide boronic acid inhibitor | | 分子名称: | Beta-lactamase, PHOSPHATE ION, {[(benzylsulfonyl)amino]methyl}boronic acid | | 著者 | Eidam, O, Romagnoli, C, Karpiak, J, Shoichet, B.K. | | 登録日 | 2010-08-02 | | 公開日 | 2010-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Design, Synthesis, Crystal Structures, and Antimicrobial Activity of Sulfonamide Boronic Acids as beta-Lactamase Inhibitors
J.Med.Chem., 53, 2010
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1PI5
 | | Structure of N289A mutant of AmpC in complex with SM2, carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain | | 分子名称: | (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION, ... | | 著者 | Roth, T.A, Minasov, G, Focia, P.J, Shoichet, B.K. | | 登録日 | 2003-05-29 | | 公開日 | 2004-02-24 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Thermodynamic cycle analysis and inhibitor design against beta-lactamase.
Biochemistry, 42, 2003
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1PI4
 | | Structure of N289A mutant of AmpC in complex with SM3, a phenylglyclboronic acid bearing the cephalothin R1 side chain | | 分子名称: | (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION, ... | | 著者 | Roth, T.A, Minasov, G, Focia, P.J, Shoichet, B.K. | | 登録日 | 2003-05-29 | | 公開日 | 2004-02-24 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Thermodynamic cycle analysis and inhibitor design against beta-lactamase.
Biochemistry, 42, 2003
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3O88
 | | Crystal structure of AmpC beta-lactamase in complex with a sulfonamide boronic acid inhibitor | | 分子名称: | 3-[(2R)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid, Beta-lactamase, PHOSPHATE ION | | 著者 | Eidam, O, Romagnoli, C, Karpiak, J, Shoichet, B.K. | | 登録日 | 2010-08-02 | | 公開日 | 2010-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Design, Synthesis, Crystal Structures, and Antimicrobial Activity of Sulfonamide Boronic Acids as beta-Lactamase Inhibitors
J.Med.Chem., 53, 2010
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5GLC
 | | Crystal structure of the class A beta-lactamase PenL-tTR11 containing 20 residues insertion in omega-loop | | 分子名称: | Beta-lactamase | | 著者 | Choi, J.M, Yi, H, Kim, H.S, Lee, S.H. | | 登録日 | 2016-07-10 | | 公開日 | 2017-02-15 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.601 Å) | | 主引用文献 | High adaptability of the omega loop underlies the substrate-spectrum-extension evolution of a class A beta-lactamase, PenL
Sci Rep, 6, 2016
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5GLD
 | | Crystal structure of the class A beta-lactamase PenL-tTR11 in complex with CBA | | 分子名称: | Beta-lactamase, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE | | 著者 | Choi, J.M, Yi, H, Kim, H.S, Lee, S.H. | | 登録日 | 2016-07-10 | | 公開日 | 2017-02-15 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | High adaptability of the omega loop underlies the substrate-spectrum-extension evolution of a class A beta-lactamase, PenL
Sci Rep, 6, 2016
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5GLA
 | | Crystal structure of the class A beta-lactamase PenL-tTR10 containing 10 residues insertion in omega-loop | | 分子名称: | Beta-lactamase | | 著者 | Choi, J.M, Yi, H, Kim, H.S, Lee, S.H. | | 登録日 | 2016-07-10 | | 公開日 | 2017-02-15 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | High adaptability of the omega loop underlies the substrate-spectrum-extension evolution of a class A beta-lactamase, PenL
Sci Rep, 6, 2016
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5GL9
 | | Crystal structure of the class A beta-lactamase PenL | | 分子名称: | Beta-lactamase, GLYCEROL | | 著者 | Choi, J.M, Yi, H, Kim, H.S, Lee, S.H. | | 登録日 | 2016-07-10 | | 公開日 | 2017-02-15 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | High adaptability of the omega loop underlies the substrate-spectrum-extension evolution of a class A beta-lactamase, PenL
Sci Rep, 6, 2016
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5GLB
 | | Crystal structure of the class A beta-lactamase PenL-tTR10 in complex with CBA | | 分子名称: | Beta-lactamase, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE | | 著者 | Choi, J.M, Yi, H, Kim, H.S, Lee, S.H. | | 登録日 | 2016-07-10 | | 公開日 | 2017-02-15 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | High adaptability of the omega loop underlies the substrate-spectrum-extension evolution of a class A beta-lactamase, PenL
Sci Rep, 6, 2016
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8FQW
 | | ADC-30 in complex with boronic acid transition state inhibitor MB076 | | 分子名称: | 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, ... | | 著者 | Powers, R.A, Wallar, B.J, June, C.M, Ruiz, V.J. | | 登録日 | 2023-01-06 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | 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 | | 分子名称: | Beta-lactamase, GLYCINE, PHOSPHATE ION | | 著者 | Powers, R.A, Wallar, B.J, June, C.M, Beardsley, T.J. | | 登録日 | 2023-01-06 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | 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 | | 分子名称: | Beta-lactamase, PHOSPHATE ION | | 著者 | Powers, R.A, Wallar, B.J, June, C.M, Ruiz, V.J. | | 登録日 | 2023-01-06 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | 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 | | 分子名称: | 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 | | 著者 | Powers, R.A, Wallar, B.J, June, C.M, Maurer, O.L. | | 登録日 | 2023-01-06 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | 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 | | 分子名称: | 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, ... | | 著者 | Powers, R.A, Wallar, B.J, June, C.M. | | 登録日 | 2023-01-06 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | 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 | | 分子名称: | 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, ... | | 著者 | Powers, R.A, Wallar, B.J, June, C.M, Fernando, M.C. | | 登録日 | 2023-01-06 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | 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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4OQI
 | | Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S/G238S mutations | | 分子名称: | CALCIUM ION, SULFATE ION, TEM-94 ES-beta-lactamase | | 著者 | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | | 登録日 | 2014-02-09 | | 公開日 | 2015-05-20 | | 最終更新日 | 2018-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
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8FQT
 | | Apo ADC-219 beta-lactamase | | 分子名称: | Beta-lactamase, PHOSPHATE ION | | 著者 | Powers, R.A, Wallar, B.J, June, C.M, Maurer, O.L. | | 登録日 | 2023-01-06 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | 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 | | 分子名称: | 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 | | 著者 | Powers, R.A, Wallar, B.J, June, C.M, Fernando, M.C. | | 登録日 | 2023-01-06 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | 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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8FQO
 | | ADC-33 in complex with boronic acid transition state inhibitor MB076 | | 分子名称: | 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 | | 著者 | Powers, R.A, Wallar, B.J, June, C.M, Fish, E.R. | | 登録日 | 2023-01-06 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | 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 | | 分子名称: | Beta-lactamase, GLYCINE, PHOSPHATE ION | | 著者 | Powers, R.A, Wallar, B.J, June, C.M, Fish, E.R. | | 登録日 | 2023-01-06 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.256 Å) | | 主引用文献 | 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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