4JXG
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![BU of 4jxg by Molmil](/molmil-images/mine/4jxg) | Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Oxacillin | Descriptor: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, Beta-lactamase, PHOSPHATE ION, ... | Authors: | Wallar, B.J, Powers, R.A, Docter, B.E. | Deposit date: | 2013-03-28 | Release date: | 2014-10-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Complexed structures of AmpC beta-lactamase To be Published
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4U0X
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![BU of 4u0x by Molmil](/molmil-images/mine/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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4U0T
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![BU of 4u0t by Molmil](/molmil-images/mine/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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2MOB
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![BU of 2mob by Molmil](/molmil-images/mine/2mob) | METHANE MONOOXYGENASE COMPONENT B | Descriptor: | PROTEIN (METHANE MONOOXYGENASE REGULATORY PROTEIN B) | Authors: | Chang, S.L, Wallar, B.J, Lipscomb, J.D, Mayo, K.H. | Deposit date: | 1999-03-10 | Release date: | 1999-08-11 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of component B from methane monooxygenase derived through heteronuclear NMR and molecular modeling. Biochemistry, 38, 1999
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6TZG
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![BU of 6tzg by Molmil](/molmil-images/mine/6tzg) | ADC-7 in complex with boronic acid transition state inhibitor S17083 | Descriptor: | Beta-lactamase, [4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid | Authors: | Fish, E.R, Powers, R.A, Wallar, B.J. | Deposit date: | 2019-08-12 | Release date: | 2020-06-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.816 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
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6TZH
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![BU of 6tzh by Molmil](/molmil-images/mine/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
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6TZJ
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![BU of 6tzj by Molmil](/molmil-images/mine/6tzj) | ADC-7 in complex with boronic acid transition state inhibitor ME_096 | Descriptor: | Beta-lactamase, GLYCINE, [4-[[(4-methylphenyl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid | Authors: | Fish, E.R, Powers, R.A, Wallar, B.J. | Deposit date: | 2019-08-12 | Release date: | 2020-06-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 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
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6TZI
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![BU of 6tzi by Molmil](/molmil-images/mine/6tzi) | ADC-7 in complex with boronic acid transition state inhibitor PFC_001 | Descriptor: | Beta-lactamase, phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid | Authors: | Fish, E.R, Powers, R.A, Wallar, B.J. | Deposit date: | 2019-08-12 | Release date: | 2020-06-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.744 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
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6TZF
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![BU of 6tzf by Molmil](/molmil-images/mine/6tzf) | ADC-7 in complex with boronic acid transition state inhibitor S17079 | Descriptor: | 3-(1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazol-4-yl)benzoic acid, Beta-lactamase | Authors: | Fish, E.R, Powers, R.A, Wallar, B.J. | Deposit date: | 2019-08-12 | Release date: | 2020-06-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.96 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
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8CUO
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![BU of 8cuo by Molmil](/molmil-images/mine/8cuo) | X-ray crystal structure of OXA-24/40 in complex with sulfonamidoboronic acid 6e | Descriptor: | 3-({[(1R)-1-boronopropyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, SULFATE ION | Authors: | Fernando, M.C, Wallar, B.J, Powers, R.A. | Deposit date: | 2022-05-17 | Release date: | 2023-04-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii . Antibiotics, 12, 2023
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8CUL
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![BU of 8cul by Molmil](/molmil-images/mine/8cul) | Xray ray crystal structure of OXA-24/40 in complex with CR167 | Descriptor: | 3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase | Authors: | Fernando, M.C, Wallar, B.J, Powers, R.A. | Deposit date: | 2022-05-17 | Release date: | 2023-04-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii . Antibiotics, 12, 2023
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8CUQ
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![BU of 8cuq by Molmil](/molmil-images/mine/8cuq) | X-ray crystal structure of ADC-33 in complex with sulfonamidoboronic acid 6e | Descriptor: | 3-[(4R)-4-ethyl-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: | Fernando, M.C, Wallar, B.J, Powers, R.A. | Deposit date: | 2022-05-17 | Release date: | 2023-04-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii . Antibiotics, 12, 2023
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8CUP
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![BU of 8cup by Molmil](/molmil-images/mine/8cup) | X-ray crystal structure of ADC-33 in complex with sulfonamidoboronic acid 6d | Descriptor: | 3-[(4S)-4-ethyl-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: | Fernando, M.C, Wallar, B.J, Powers, R.A. | Deposit date: | 2022-05-17 | Release date: | 2023-04-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii . Antibiotics, 12, 2023
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8CUM
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![BU of 8cum by Molmil](/molmil-images/mine/8cum) | X-ray crystal structure of OXA-24/40 in complex with sulfonamidoboronic acid 6d | Descriptor: | 3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, SULFATE ION | Authors: | Fernando, M.C, Wallar, B.J, Powers, R.A. | Deposit date: | 2022-05-17 | Release date: | 2023-04-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii . Antibiotics, 12, 2023
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6PWL
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![BU of 6pwl by Molmil](/molmil-images/mine/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
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6PWM
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![BU of 6pwm by Molmil](/molmil-images/mine/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
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4KG6
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![BU of 4kg6 by Molmil](/molmil-images/mine/4kg6) | |
4KEN
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![BU of 4ken by Molmil](/molmil-images/mine/4ken) | Crystal Structure of AmpC beta-lactamase N152G Mutant in Complex 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, PHOSPHATE ION | Authors: | Docter, B.E, Baggett, V.L, Powers, R.A, Wallar, B.J. | Deposit date: | 2013-04-25 | Release date: | 2014-10-29 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Complexed structures of AmpC beta-lactamase To be Published
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4KG5
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![BU of 4kg5 by Molmil](/molmil-images/mine/4kg5) | Crystal Structure of AmpC beta-lactamase N152G Mutant in Complex with Cefotaxime | Descriptor: | Beta-lactamase, CEFOTAXIME, C3' cleaved, ... | Authors: | Docter, B.E, Baggett, V.L, Powers, R.A, Wallar, B.J. | Deposit date: | 2013-04-28 | Release date: | 2014-10-29 | Last modified: | 2018-09-19 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Complexed structures of AmpC beta-lactamase To be Published
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4KG2
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![BU of 4kg2 by Molmil](/molmil-images/mine/4kg2) | Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Cefotaxime | Descriptor: | Beta-lactamase, CEFOTAXIME, C3' cleaved, ... | Authors: | Docter, B.E, Baggett, V.L, Powers, R.A, Wallar, B.J. | Deposit date: | 2013-04-28 | Release date: | 2014-10-29 | Last modified: | 2018-09-19 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Complexed structures of AmpC beta-lactamase To be Published
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8FQM
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![BU of 8fqm by Molmil](/molmil-images/mine/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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8FQQ
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![BU of 8fqq by Molmil](/molmil-images/mine/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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8FQN
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![BU of 8fqn by Molmil](/molmil-images/mine/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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8FQV
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![BU of 8fqv by Molmil](/molmil-images/mine/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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8FQP
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![BU of 8fqp by Molmil](/molmil-images/mine/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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