5J8X
 
 | | CRYSTAL STRUCTURE OF E. COLI PBP5 WITH 2C | | Descriptor: | (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, D-alanyl-D-alanine carboxypeptidase DacA | | Authors: | Brem, J, Cain, R, McDonough, M.A, Clifton, I.J, Fishwick, C.W.G, Schofield, C.J. | | Deposit date: | 2016-04-08 | | Release date: | 2016-08-17 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Nat Commun, 7, 2016
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5FQ9
 | | Crystal structure of the OXA10 with 1C | | Descriptor: | (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, ACETATE ION, BETA-LACTAMASE OXA-10, ... | | Authors: | Brem, J, McDonough, M.A, Cain, R, Clifton, I, Fishwick, C.W.G, Schofield, C.J. | | Deposit date: | 2015-12-08 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Nat Commun, 7, 2016
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5FQC
 | | Crystal structure of the metallo-beta-lactamase VIM-2 with 2C | | Descriptor: | (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, BETA-LACTAMASE, DIMETHYL SULFOXIDE, ... | | Authors: | Brem, J, Cain, R, McDonough, M.A, Clifton, I.J, Fishwick, C.W.G, Schofield, C.J. | | Deposit date: | 2015-12-08 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.449 Å) | | Cite: | Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Nat Commun, 7, 2016
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4TYT
 | | Crystal Structure of BcII metallo-beta-lactamase in complex with ML302F | | Descriptor: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase 2, GLYCEROL, ... | | Authors: | Brem, J, van Berkel, S.S, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2014-07-09 | | Release date: | 2014-11-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition.
Nat.Chem., 6, 2014
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7AFX
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7AEZ
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7AFY
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 1306 | | Descriptor: | 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, SODIUM ION, ... | | Authors: | Brem, J, Schofield, C.J. | | Deposit date: | 2020-09-21 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.105 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM2 with 139
To Be Published
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6I30
 | | Crystal structure of the AmpC from Pseudomonas aeruginosa with 1C | | Descriptor: | (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Class C beta-lactamase PDC-301 | | Authors: | Brem, J, Cahill, S.T, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2018-11-02 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Studies on the inhibition of AmpC and other beta-lactamases by cyclic boronates.
Biochim Biophys Acta Gen Subj, 1863, 2019
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5A87
 | | Crystal structure of the metallo-beta-lactamase VIM-5 | | Descriptor: | GLYCEROL, METALLO-BETA-LACTAMASE VIM-5, ZINC ION | | Authors: | Brem, J, Duzgun, A.O, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2015-07-13 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Comparison of Verona Integron-Borne Metallo-beta-Lactamase (VIM) Variants Reveals Differences in Stability and Inhibition Profiles.
Antimicrob. Agents Chemother., 60, 2015
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4PVT
 | | Crystal Structure of VIM-2 metallo-beta-lactamase in complex with ML302F | | Descriptor: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... | | Authors: | Aik, W.S, Brem, J, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2014-03-18 | | Release date: | 2014-11-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition.
Nat.Chem., 6, 2014
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4PVO
 | | Crystal Structure of VIM-2 metallo-beta-lactamase in complex with ML302 and ML302F | | Descriptor: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase class B VIM-2, DIMETHYL SULFOXIDE, ... | | Authors: | Aik, W.S, Brem, J, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2014-03-18 | | Release date: | 2014-11-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition.
Nat.Chem., 6, 2014
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5FQB
 | | Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase with 2C | | Descriptor: | (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, BETA-LACTAMASE 2, GLYCEROL, ... | | Authors: | Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2015-12-08 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.899 Å) | | Cite: | Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Nat Commun, 7, 2016
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4BP0
 | | Crystal structure of the closed form of Pseudomonas aeruginosa SPM-1 | | Descriptor: | CHLORIDE ION, GLYCEROL, METALLO-B-LACTAMASE, ... | | Authors: | McDonough, M.A, Brem, J, Schofield, C.J. | | Deposit date: | 2013-05-22 | | Release date: | 2014-06-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Studying the active-site loop movement of the Sao Paolo metallo-beta-lactamase-1
Chem Sci, 6, 2015
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4BZ3
 | | Crystal structure of the metallo-beta-lactamase VIM-2 | | Descriptor: | BETA-LACTAMASE VIM-2, FORMIC ACID, SODIUM ION, ... | | Authors: | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | | Deposit date: | 2013-07-23 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.294 Å) | | Cite: | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
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4C1E
 | | Crystal structure of the metallo-beta-lactamase VIM-2 with D-captopril | | Descriptor: | 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, BETA-LACTAMASE CLASS B VIM-2, FORMIC ACID, ... | | Authors: | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | | Deposit date: | 2013-08-12 | | Release date: | 2014-08-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
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4C1H
 | | Crystal structure of the metallo-beta-lactamase BCII with L-captopril | | Descriptor: | BETA-LACTAMASE 2, GLYCEROL, L-CAPTOPRIL, ... | | Authors: | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | | Deposit date: | 2013-08-12 | | Release date: | 2014-08-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
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4C1D
 | | Crystal structure of the metallo-beta-lactamase VIM-2 with L-captopril | | Descriptor: | BETA-LACTAMASE CLASS B VIM-2, FORMIC ACID, L-CAPTOPRIL, ... | | Authors: | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | | Deposit date: | 2013-08-12 | | Release date: | 2014-08-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.198 Å) | | Cite: | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
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4C1G
 | | Crystal structure of the metallo-beta-lactamase IMP-1 with D-captopril | | Descriptor: | 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, BETA-LACTAMASE IMP-1, SULFATE ION, ... | | Authors: | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | | Deposit date: | 2013-08-12 | | Release date: | 2014-08-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.714 Å) | | Cite: | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
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4C1C
 | | Crystal structure of the metallo-beta-lactamase BCII with D-captopril | | Descriptor: | 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, BETA-LACTAMASE 2, GLYCEROL, ... | | Authors: | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | | Deposit date: | 2013-08-12 | | Release date: | 2014-08-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
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4C1F
 | | Crystal structure of the metallo-beta-lactamase IMP-1 with L-captopril | | Descriptor: | BETA-LACTAMASE IMP-1, L-CAPTOPRIL, SULFATE ION, ... | | Authors: | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | | Deposit date: | 2013-08-12 | | Release date: | 2014-08-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
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4C09
 | | Crystal structure of the metallo-beta-lactamase BCII | | Descriptor: | BETA-LACTAMASE 2, GLYCEROL, SULFATE ION, ... | | Authors: | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | | Deposit date: | 2013-07-31 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
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7AFZ
 | | L1 metallo-b-lactamase with compound EBL-1306 | | Descriptor: | 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | | Authors: | Hinchliffe, P, Spencer, J, Brem, J. | | Deposit date: | 2020-09-21 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Imitation of beta-lactam binding enables broad-spectrum metallo-beta-lactamase inhibitors.
Nat.Chem., 14, 2022
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6RTN
 | | Crystal structure of OXA-10 with VNRX-5133 | | Descriptor: | (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Beta-lactamase OXA-10, CHLORIDE ION | | Authors: | Brem, J, Schofield, C. | | Deposit date: | 2019-05-24 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-beta-Lactamases.
J.Med.Chem., 62, 2019
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5MMY
 | | Crystal structure of OXA10 with HEPES | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase OXA-10, ... | | Authors: | Brem, J. | | Deposit date: | 2016-12-12 | | Release date: | 2017-07-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | (13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions.
Org. Biomol. Chem., 15, 2017
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5MOX
 | | OXA-10 Avibactam complex with bound CO2 | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase OXA-10, CARBON DIOXIDE, ... | | Authors: | Brem, J. | | Deposit date: | 2016-12-14 | | Release date: | 2017-07-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | (13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions.
Org. Biomol. Chem., 15, 2017
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