5FQC
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![BU of 5fqc by Molmil](/molmil-images/mine/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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5J8X
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![BU of 5j8x by Molmil](/molmil-images/mine/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: | 2024-01-10 | 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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4TYT
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![BU of 4tyt by Molmil](/molmil-images/mine/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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5FQ9
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![BU of 5fq9 by Molmil](/molmil-images/mine/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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7AFX
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![BU of 7afx by Molmil](/molmil-images/mine/7afx) | |
7AFY
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![BU of 7afy by Molmil](/molmil-images/mine/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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7AEZ
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![BU of 7aez by Molmil](/molmil-images/mine/7aez) | |
5FQB
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![BU of 5fqb by Molmil](/molmil-images/mine/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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5A87
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![BU of 5a87 by Molmil](/molmil-images/mine/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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6I30
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![BU of 6i30 by Molmil](/molmil-images/mine/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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4PVO
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![BU of 4pvo by Molmil](/molmil-images/mine/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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4PVT
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![BU of 4pvt by Molmil](/molmil-images/mine/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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4BP0
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![BU of 4bp0 by Molmil](/molmil-images/mine/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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6RTN
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![BU of 6rtn by Molmil](/molmil-images/mine/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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7AFZ
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![BU of 7afz by Molmil](/molmil-images/mine/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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4C1D
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![BU of 4c1d by Molmil](/molmil-images/mine/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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4C1C
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![BU of 4c1c by Molmil](/molmil-images/mine/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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5MMY
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![BU of 5mmy by Molmil](/molmil-images/mine/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
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![BU of 5mox by Molmil](/molmil-images/mine/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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5MNU
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![BU of 5mnu by Molmil](/molmil-images/mine/5mnu) | OXA-10 Avibactam complex with bound bromide | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, BROMIDE ION, Beta-lactamase OXA-10, ... | Authors: | Brem, J, McDonough, M, Clifton, I. | Deposit date: | 2016-12-13 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.56 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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6RRM
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![BU of 6rrm by Molmil](/molmil-images/mine/6rrm) | Crystal structure of LdtMt2 from Mycobacterium tuberculosis bound to Ebselen | Descriptor: | 1,2-ETHANEDIOL, AMMONIUM ION, GLYCEROL, ... | Authors: | Brem, J, Lohans, C, Schofield, C. | Deposit date: | 2019-05-20 | Release date: | 2019-08-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Targeting the Mycobacterium tuberculosis transpeptidase LdtMt2with cysteine-reactive inhibitors including ebselen. Chem.Commun.(Camb.), 55, 2019
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4C1E
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![BU of 4c1e by Molmil](/molmil-images/mine/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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5MOZ
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![BU of 5moz by Molmil](/molmil-images/mine/5moz) | OXA-10 Avibactam complex with bound Iodide | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase OXA-10, CHLORIDE ION, ... | Authors: | Brem, J. | Deposit date: | 2016-12-15 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.34 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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4C09
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![BU of 4c09 by Molmil](/molmil-images/mine/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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4C1G
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![BU of 4c1g by Molmil](/molmil-images/mine/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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