5FQC
 
 | | Crystal structure of the metallo-beta-lactamase VIM-2 with 2C | | 分子名称: | (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, ... | | 著者 | Brem, J, Cain, R, McDonough, M.A, Clifton, I.J, Fishwick, C.W.G, Schofield, C.J. | | 登録日 | 2015-12-08 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.449 Å) | | 主引用文献 | 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
 | | CRYSTAL STRUCTURE OF E. COLI PBP5 WITH 2C | | 分子名称: | (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 | | 著者 | Brem, J, Cain, R, McDonough, M.A, Clifton, I.J, Fishwick, C.W.G, Schofield, C.J. | | 登録日 | 2016-04-08 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | 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 | | 分子名称: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase 2, GLYCEROL, ... | | 著者 | Brem, J, van Berkel, S.S, McDonough, M.A, Schofield, C.J. | | 登録日 | 2014-07-09 | | 公開日 | 2014-11-26 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.799 Å) | | 主引用文献 | Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition.
Nat.Chem., 6, 2014
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5FQ9
 | | Crystal structure of the OXA10 with 1C | | 分子名称: | (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, ACETATE ION, BETA-LACTAMASE OXA-10, ... | | 著者 | Brem, J, McDonough, M.A, Cain, R, Clifton, I, Fishwick, C.W.G, Schofield, C.J. | | 登録日 | 2015-12-08 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | 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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7AFY
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7AEZ
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5FQB
 | | Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase with 2C | | 分子名称: | (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, ... | | 著者 | Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J. | | 登録日 | 2015-12-08 | | 公開日 | 2016-08-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.899 Å) | | 主引用文献 | 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
 | | Crystal structure of the metallo-beta-lactamase VIM-5 | | 分子名称: | GLYCEROL, METALLO-BETA-LACTAMASE VIM-5, ZINC ION | | 著者 | Brem, J, Duzgun, A.O, McDonough, M.A, Schofield, C.J. | | 登録日 | 2015-07-13 | | 公開日 | 2015-12-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | 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
 | | Crystal structure of the AmpC from Pseudomonas aeruginosa with 1C | | 分子名称: | (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Class C beta-lactamase PDC-301 | | 著者 | Brem, J, Cahill, S.T, McDonough, M.A, Schofield, C.J. | | 登録日 | 2018-11-02 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | 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
 | | Crystal Structure of VIM-2 metallo-beta-lactamase in complex with ML302 and ML302F | | 分子名称: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase class B VIM-2, DIMETHYL SULFOXIDE, ... | | 著者 | Aik, W.S, Brem, J, McDonough, M.A, Schofield, C.J. | | 登録日 | 2014-03-18 | | 公開日 | 2014-11-19 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition.
Nat.Chem., 6, 2014
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4PVT
 | | Crystal Structure of VIM-2 metallo-beta-lactamase in complex with ML302F | | 分子名称: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... | | 著者 | Aik, W.S, Brem, J, McDonough, M.A, Schofield, C.J. | | 登録日 | 2014-03-18 | | 公開日 | 2014-11-19 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition.
Nat.Chem., 6, 2014
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4BP0
 | | Crystal structure of the closed form of Pseudomonas aeruginosa SPM-1 | | 分子名称: | CHLORIDE ION, GLYCEROL, METALLO-B-LACTAMASE, ... | | 著者 | McDonough, M.A, Brem, J, Schofield, C.J. | | 登録日 | 2013-05-22 | | 公開日 | 2014-06-18 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Studying the active-site loop movement of the Sao Paolo metallo-beta-lactamase-1
Chem Sci, 6, 2015
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6RTN
 | | Crystal structure of OXA-10 with VNRX-5133 | | 分子名称: | (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 | | 著者 | Brem, J, Schofield, C. | | 登録日 | 2019-05-24 | | 公開日 | 2019-09-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-beta-Lactamases.
J.Med.Chem., 62, 2019
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7AFZ
 | | L1 metallo-b-lactamase with compound EBL-1306 | | 分子名称: | 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | | 著者 | Hinchliffe, P, Spencer, J, Brem, J. | | 登録日 | 2020-09-21 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Imitation of beta-lactam binding enables broad-spectrum metallo-beta-lactamase inhibitors.
Nat.Chem., 14, 2022
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4C1D
 | | Crystal structure of the metallo-beta-lactamase VIM-2 with L-captopril | | 分子名称: | BETA-LACTAMASE CLASS B VIM-2, FORMIC ACID, L-CAPTOPRIL, ... | | 著者 | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | | 登録日 | 2013-08-12 | | 公開日 | 2014-08-27 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.198 Å) | | 主引用文献 | 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 | | 分子名称: | 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, BETA-LACTAMASE 2, GLYCEROL, ... | | 著者 | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | | 登録日 | 2013-08-12 | | 公開日 | 2014-08-27 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
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5MMY
 | | Crystal structure of OXA10 with HEPES | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase OXA-10, ... | | 著者 | Brem, J. | | 登録日 | 2016-12-12 | | 公開日 | 2017-07-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | (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 | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase OXA-10, CARBON DIOXIDE, ... | | 著者 | Brem, J. | | 登録日 | 2016-12-14 | | 公開日 | 2017-07-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | (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
 | | OXA-10 Avibactam complex with bound bromide | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, BROMIDE ION, Beta-lactamase OXA-10, ... | | 著者 | Brem, J, McDonough, M, Clifton, I. | | 登録日 | 2016-12-13 | | 公開日 | 2017-07-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | (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
 | | Crystal structure of LdtMt2 from Mycobacterium tuberculosis bound to Ebselen | | 分子名称: | 1,2-ETHANEDIOL, AMMONIUM ION, GLYCEROL, ... | | 著者 | Brem, J, Lohans, C, Schofield, C. | | 登録日 | 2019-05-20 | | 公開日 | 2019-08-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Targeting the Mycobacterium tuberculosis transpeptidase LdtMt2with cysteine-reactive inhibitors including ebselen.
Chem.Commun.(Camb.), 55, 2019
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4C1E
 | | Crystal structure of the metallo-beta-lactamase VIM-2 with D-captopril | | 分子名称: | 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, BETA-LACTAMASE CLASS B VIM-2, FORMIC ACID, ... | | 著者 | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | | 登録日 | 2013-08-12 | | 公開日 | 2014-08-27 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.399 Å) | | 主引用文献 | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
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5MOZ
 | | OXA-10 Avibactam complex with bound Iodide | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase OXA-10, CHLORIDE ION, ... | | 著者 | Brem, J. | | 登録日 | 2016-12-15 | | 公開日 | 2017-07-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | (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
 | | Crystal structure of the metallo-beta-lactamase BCII | | 分子名称: | BETA-LACTAMASE 2, GLYCEROL, SULFATE ION, ... | | 著者 | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | | 登録日 | 2013-07-31 | | 公開日 | 2014-08-20 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | 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 | | 分子名称: | 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, BETA-LACTAMASE IMP-1, SULFATE ION, ... | | 著者 | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | | 登録日 | 2013-08-12 | | 公開日 | 2014-08-27 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.714 Å) | | 主引用文献 | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
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