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PDB: 8 results

8CUO
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BU of 8cuo by Molmil
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
8CUL
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BU of 8cul by Molmil
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
8CUQ
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BU of 8cuq by Molmil
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
8CUP
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BU of 8cup by Molmil
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
8CUM
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BU of 8cum by Molmil
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
8FQM
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BU of 8fqm by Molmil
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
8FQQ
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BU of 8fqq by Molmil
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
8FQP
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BU of 8fqp by Molmil
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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PDB entries from 2024-06-12

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