3W4O
| Crystal structure of PenI beta-lactamase from Burkholderia pseudomallei at pH9.5 | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Beta-lactamase, GLYCEROL | Authors: | Nukaga, M, Ohuchi, N, Papp-Wallace, K.M, Taracila, M.A, Bonomo, R.A. | Deposit date: | 2013-01-10 | Release date: | 2013-05-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Insights into beta-lactamases from Burkholderia species, two phylogenetically related yet distinct resistance determinants J.Biol.Chem., 288, 2013
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3W4P
| Crystal structure of PenI beta-lactamase from Burkholderia pseudomallei at pH7.5 | Descriptor: | Beta-lactamase, GLYCEROL, SULFATE ION | Authors: | Nukaga, M, Ohuchi, N, Papp-Wallace, K.M, Taracila, M.A, Bonomo, R.A. | Deposit date: | 2013-01-10 | Release date: | 2013-05-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Insights into beta-lactamases from Burkholderia species, two phylogenetically related yet distinct resistance determinants J.Biol.Chem., 288, 2013
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3W4Q
| Crystal structure of PenA beta-lactamase from Burkholderia multivorans at pH4.2 | Descriptor: | Beta-lactamase | Authors: | Nukaga, M, Ohuchi, N, Papp-Wallace, K.M, Taracila, M.A, Bonomo, R.A. | Deposit date: | 2013-01-10 | Release date: | 2013-05-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Insights into beta-lactamases from Burkholderia species, two phylogenetically related yet distinct resistance determinants J.Biol.Chem., 288, 2013
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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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5ZYB
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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
| 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: | 2024-10-16 | 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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8SQ8
| X-ray crystal structure of Acinetobacter baumanii beta-lactamase variant OXA-109 in complex with doripenem | Descriptor: | (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, BICARBONATE ION, Beta-lactamase OXA-109 | Authors: | Powers, R.A, Leonard, D.A, June, C.M, Szarecka, A, Wawrzak, Z. | Deposit date: | 2023-05-04 | Release date: | 2024-05-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural and Dynamic Features of Acinetobacter baumannii OXA-66 beta-Lactamase Explain Its Stability and Evolution of Novel Variants. J.Mol.Biol., 436, 2024
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8SQ7
| X-ray crystal structure of Acinetobacter baumanii beta-lactamase variant OXA-82 K83D in complex with doripenem | Descriptor: | (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase OXA-82, CITRATE ANION, ... | Authors: | Powers, R.A, Leonard, D.A, June, C.M, Szarecka, A, Wawrzak, Z. | Deposit date: | 2023-05-04 | Release date: | 2024-05-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural and Dynamic Features of Acinetobacter baumannii OXA-66 beta-Lactamase Explain Its Stability and Evolution of Novel Variants. J.Mol.Biol., 436, 2024
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7TB7
| Crystal structure of D179N KPC-2 beta-lactamase | Descriptor: | CITRIC ACID, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | van den Akker, F, Alsenani, T. | Deposit date: | 2021-12-21 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Structural Characterization of the D179N and D179Y Variants of KPC-2 beta-Lactamase: Omega-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam. Antimicrob.Agents Chemother., 66, 2022
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7TBX
| Crystal structure of D179Y KPC-2 beta-lactamase | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | van den Akker, F, Alsenani, T. | Deposit date: | 2021-12-22 | Release date: | 2022-03-02 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (3.16 Å) | Cite: | Structural Characterization of the D179N and D179Y Variants of KPC-2 beta-Lactamase: Omega-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam. Antimicrob.Agents Chemother., 66, 2022
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7TC1
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7UTB
| KPC-2 CARBAPENEMASE IN COMPLEX WITH THE BORONIC ACID INHIBITOR MB_076 | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, [(1~{R})-1-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]-2-(4-carboxy-1,2,3-triazol-1-yl)ethyl]-$l^{3}-oxidanyl-bis(oxidanyl)boron | Authors: | van den Akker, F, Alsenani, T.A. | Deposit date: | 2022-04-26 | Release date: | 2022-12-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Boronic Acid Transition State Inhibitors as Potent Inactivators of KPC and CTX-M beta-Lactamases: Biochemical and Structural Analyses. Antimicrob.Agents Chemother., 67, 2023
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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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4FCF
| K234R: apo structure of inhibitor resistant beta-lactamase | Descriptor: | 2-AMINOETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | Authors: | Rodkey, E.A, van den Akker, F. | Deposit date: | 2012-05-24 | Release date: | 2012-12-26 | Last modified: | 2013-10-02 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | 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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6C6I
| Crystal structure of a chimeric NDM-1 metallo-beta-lactamase harboring the IMP-1 L3 loop | Descriptor: | Metallo-beta-lactamase type 2 chimera, ZINC ION | Authors: | Otero, L, Giannini, E, Klinke, S, Palacios, A, Mojica, M, Bonomo, R, Llarrull, L, Vila, A. | Deposit date: | 2018-01-18 | Release date: | 2018-10-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The Reaction Mechanism of Metallo-beta-Lactamases Is Tuned by the Conformation of an Active-Site Mobile Loop. Antimicrob. Agents Chemother., 63, 2019
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6CAC
| Crystal structure of NDM-1 metallo-beta-lactamase harboring an insertion of a Pro residue in L3 loop | Descriptor: | CADMIUM ION, CALCIUM ION, COBALT (II) ION, ... | Authors: | Alzari, P.M, Giannini, E, Palacios, A, Mojica, M, Bonomo, R, Llarrull, L, Vila, A. | Deposit date: | 2018-01-30 | Release date: | 2018-10-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | The Reaction Mechanism of Metallo-beta-Lactamases Is Tuned by the Conformation of an Active-Site Mobile Loop. Antimicrob. Agents Chemother., 63, 2019
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5CHM
| CRYSTAL STRUCTURE OF Fox-4 cephamycinase complexed with ceftazidime BATSI (LP06) | Descriptor: | ACETATE ION, Beta-lactamase, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE, ... | Authors: | Malashkevich, V.N, Toro, R, Lefurgy, S, Almo, S.C. | Deposit date: | 2015-07-10 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of FOX-4 Cephamycinase in Complex with Transition-State Analog Inhibitors. Biomolecules, 10, 2020
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5CHJ
| CRYSTAL STRUCTURE OF Fox-4 cephamycinase complexed with cephalothin BATSI (SM23) | Descriptor: | (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, ACETATE ION, Beta-lactamase, ... | Authors: | Malashkevich, V.N, Toro, R, Lefurgy, S, Almo, S.C. | Deposit date: | 2015-07-10 | Release date: | 2016-08-03 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.358 Å) | Cite: | Structures of FOX-4 Cephamycinase in Complex with Transition-State Analog Inhibitors. Biomolecules, 10, 2020
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4X53
| Structure of the class D Beta-Lactamase OXA-160 V130D in Acyl-Enzyme Complex with Aztreonam | Descriptor: | 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, BICARBONATE ION, Class D beta-lactamase OXA-160 | Authors: | Clasman, J.R, June, C.M, Powers, R.A, Leonard, D.A. | Deposit date: | 2014-12-04 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of Activity against Aztreonam and Extended Spectrum Cephalosporins for Two Carbapenem-Hydrolyzing Class D beta-Lactamases from Acinetobacter baumannii. Biochemistry, 54, 2015
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4X56
| Structure of the class D Beta-Lactamase OXA-160 V130D in Acyl-Enzyme Complex with Ceftazidime | Descriptor: | ACYLATED CEFTAZIDIME, Class D beta-lactamase OXA-160 | Authors: | Clasman, J.R, June, C.M, Powers, R.A, Leonard, D.A. | Deposit date: | 2014-12-04 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural Basis of Activity against Aztreonam and Extended Spectrum Cephalosporins for Two Carbapenem-Hydrolyzing Class D beta-Lactamases from Acinetobacter baumannii. Biochemistry, 54, 2015
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4X55
| Structure of the class D Beta-Lactamase OXA-225 K82D in Acyl-Enzyme Complex with Ceftazidime | Descriptor: | 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, Beta-lactamase OXA-225 | Authors: | Clasman, J.R, June, C.M, Powers, R.A, Leonard, D.A. | Deposit date: | 2014-12-04 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.941 Å) | Cite: | Structural Basis of Activity against Aztreonam and Extended Spectrum Cephalosporins for Two Carbapenem-Hydrolyzing Class D beta-Lactamases from Acinetobacter baumannii. Biochemistry, 54, 2015
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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
| 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
| 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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