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8FQR
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BU of 8fqr by Molmil
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
8FQV
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BU of 8fqv by Molmil
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
8FQU
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BU of 8fqu by Molmil
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
8FQS
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BU of 8fqs by Molmil
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
8FQQ
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BU of 8fqq by Molmil
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
8FQT
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BU of 8fqt by Molmil
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
8FQM
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BU of 8fqm by Molmil
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
8FQO
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BU of 8fqo by Molmil
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
8FQN
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BU of 8fqn by Molmil
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
8FQP
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BU of 8fqp by Molmil
apo ADC-162 beta-lactamase
分子名称: Beta-lactamase, GLYCINE, PHOSPHATE ION
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2024-05-22
実験手法X-RAY DIFFRACTION (1.419 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
4E3J
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BU of 4e3j by Molmil
Crystal structure of AmpC beta-lactamase in complex with a designed 4-tetrazolyl benzene sulfonamide boronic acid inhibitor
分子名称: Beta-lactamase, PHOSPHATE ION, [({[4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
著者Eidam, O, Shoichet, B.K.
登録日2012-03-09
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7999 Å)
主引用文献Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E3M
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BU of 4e3m by Molmil
Crystal structure of AmpC beta-lactamase in complex with a 2-chloro-4-tetrazolyl benzene sulfonamide boronic acid inhibitor
分子名称: Beta-lactamase, PHOSPHATE ION, [({[2-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
著者Eidam, O, Shoichet, B.K.
登録日2012-03-09
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E3I
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BU of 4e3i by Molmil
Crystal structure of AmpC beta-lactamase in complex with a designed 3-carboxyl benzyl sulfonamide boronic acid inhibitor
分子名称: 3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, PHOSPHATE ION
著者Eidam, O, Shoichet, B.K.
登録日2012-03-09
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E3L
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BU of 4e3l by Molmil
Crystal structure of AmpC beta-lactamase in complex with a 3-chloro-4-tetrazolyl benzene sulfonamide boronic acid inhibitor
分子名称: Beta-lactamase, PHOSPHATE ION, [({[3-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
著者Eidam, O, Shoichet, B.K.
登録日2012-03-09
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E3K
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BU of 4e3k by Molmil
Crystal structure of AmpC beta-lactamase in complex with a designed 4-tetrazolyl pyridine sulfonamide boronic acid inhibitor
分子名称: Beta-lactamase, PHOSPHATE ION, [({[6-(1H-tetrazol-5-yl)pyridin-3-yl]sulfonyl}amino)methyl]boronic acid
著者Eidam, O, Shoichet, B.K.
登録日2012-03-09
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4299 Å)
主引用文献Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E3N
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BU of 4e3n by Molmil
Crystal structure of AmpC beta-lactamase in complex with a 2-trifluoromethyl-4-tetrazolyl benzene sulfonamide boronic acid inhibitor
分子名称: Beta-lactamase, PHOSPHATE ION, [({[4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid
著者Eidam, O, Shoichet, B.K.
登録日2012-03-09
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E6X
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BU of 4e6x by Molmil
ClbP in complex boron-based inhibitor
分子名称: ({[(chloromethyl)sulfonyl]amino}methyl)boronic acid, ClbP peptidase, PHOSPHATE ION
著者Cougnoux, A, Delmas, J, Bonnet, R.
登録日2012-03-16
公開日2013-03-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献The NRP peptidase ClbP as a target for the inhibition of genotoxicity, cell proliferation and tumorogenesis mediated by pks-harboring bacteria
To be Published
4E3O
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BU of 4e3o by Molmil
Crystal structure of AmpC beta-lactamase in complex with a small chloromethyl sulfonamide boronic acid inhibitor
分子名称: ({[(chloromethyl)sulfonyl]amino}methyl)boronic acid, Beta-lactamase, PHOSPHATE ION
著者Eidam, O, Shoichet, B.K.
登録日2012-03-09
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012

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件を2024-08-21に公開中

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