4QU3
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![BU of 4qu3 by Molmil](/molmil-images/mine/4qu3) | GES-2 ertapenem acyl-enzyme complex | 分子名称: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase GES-2, ... | 著者 | Stewart, N.K, Smith, C.A, Frase, H, Black, D.J, Vakulenko, S.B. | 登録日 | 2014-07-10 | 公開日 | 2014-12-31 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.402 Å) | 主引用文献 | Kinetic and Structural Requirements for Carbapenemase Activity in GES-Type beta-Lactamases. Biochemistry, 54, 2015
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8V9H
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![BU of 8v9h by Molmil](/molmil-images/mine/8v9h) | GES-5-NA-1-157 complex | 分子名称: | (5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | 著者 | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | 登録日 | 2023-12-08 | 公開日 | 2024-04-03 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Restricted Rotational Flexibility of the C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Leads to Potent Inhibition of the GES-5 Carbapenemase. Acs Infect Dis., 10, 2024
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8V9G
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![BU of 8v9g by Molmil](/molmil-images/mine/8v9g) | GES-5-meropenem complex | 分子名称: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, IODIDE ION, ... | 著者 | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | 登録日 | 2023-12-08 | 公開日 | 2024-04-03 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Restricted Rotational Flexibility of the C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Leads to Potent Inhibition of the GES-5 Carbapenemase. Acs Infect Dis., 10, 2024
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7T7G
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![BU of 7t7g by Molmil](/molmil-images/mine/7t7g) | Imipenem-OXA-23 2 minute complex | 分子名称: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase OXA-23 | 著者 | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | 登録日 | 2021-12-15 | 公開日 | 2022-05-04 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation. Mbio, 13, 2022
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7T7F
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![BU of 7t7f by Molmil](/molmil-images/mine/7t7f) | MA-1-206-OXA-23 25 minute complex | 分子名称: | (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23 | 著者 | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | 登録日 | 2021-12-15 | 公開日 | 2022-05-18 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation. Mbio, 13, 2022
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7T7D
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![BU of 7t7d by Molmil](/molmil-images/mine/7t7d) | MA-1-206-OXA-23 30s complex | 分子名称: | (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23 | 著者 | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | 登録日 | 2021-12-15 | 公開日 | 2022-05-18 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation. Mbio, 13, 2022
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7T7E
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![BU of 7t7e by Molmil](/molmil-images/mine/7t7e) | MA-1-206-OXA-23 3 minute complex | 分子名称: | (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23 | 著者 | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | 登録日 | 2021-12-15 | 公開日 | 2022-05-18 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation. Mbio, 13, 2022
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6W5G
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![BU of 6w5g by Molmil](/molmil-images/mine/6w5g) | Class D beta-lactamase BAT-2 | 分子名称: | 1,2-ETHANEDIOL, BAT-2 beta-lactamase | 著者 | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | 登録日 | 2020-03-13 | 公開日 | 2020-06-24 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.451 Å) | 主引用文献 | A surface loop modulates activity of the Bacillus class D beta-lactamases. J.Struct.Biol., 211, 2020
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6W5E
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![BU of 6w5e by Molmil](/molmil-images/mine/6w5e) | Class D beta-lactamase BSU-2 | 分子名称: | 1,2-ETHANEDIOL, BSU-2 beta-lactamase, MALONATE ION | 著者 | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | 登録日 | 2020-03-13 | 公開日 | 2020-06-24 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | A surface loop modulates activity of the Bacillus class D beta-lactamases. J.Struct.Biol., 211, 2020
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6W5O
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![BU of 6w5o by Molmil](/molmil-images/mine/6w5o) | Class D beta-lactamase BAT-2 delta mutant | 分子名称: | 1,2-ETHANEDIOL, BAT-2 Beta-lactamase delta mutant, CITRATE ANION | 著者 | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | 登録日 | 2020-03-13 | 公開日 | 2020-06-24 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | A surface loop modulates activity of the Bacillus class D beta-lactamases. J.Struct.Biol., 211, 2020
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6W5F
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![BU of 6w5f by Molmil](/molmil-images/mine/6w5f) | Class D beta-lactamase BSU-2 delta mutant | 分子名称: | 1,2-ETHANEDIOL, BSU-2delta mutant, DI(HYDROXYETHYL)ETHER, ... | 著者 | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | 登録日 | 2020-03-13 | 公開日 | 2020-06-24 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | A surface loop modulates activity of the Bacillus class D beta-lactamases. J.Struct.Biol., 211, 2020
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7KEQ
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![BU of 7keq by Molmil](/molmil-images/mine/7keq) | avibactam-CDD-1 6 minute complex | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | 著者 | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | 登録日 | 2020-10-11 | 公開日 | 2021-01-20 | 最終更新日 | 2021-05-26 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Inhibition of the Clostridioides difficile Class D beta-Lactamase CDD-1 by Avibactam. Acs Infect Dis., 7, 2021
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7KER
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![BU of 7ker by Molmil](/molmil-images/mine/7ker) | avibactam-CDD-1 45 minute complex | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | 著者 | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | 登録日 | 2020-10-12 | 公開日 | 2021-01-20 | 最終更新日 | 2021-05-26 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Inhibition of the Clostridioides difficile Class D beta-Lactamase CDD-1 by Avibactam. Acs Infect Dis., 7, 2021
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7KEP
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![BU of 7kep by Molmil](/molmil-images/mine/7kep) | avibactam-CDD-1 2 minute complex | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | 著者 | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | 登録日 | 2020-10-11 | 公開日 | 2021-01-20 | 最終更新日 | 2021-05-26 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Inhibition of the Clostridioides difficile Class D beta-Lactamase CDD-1 by Avibactam. Acs Infect Dis., 7, 2021
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7LNR
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![BU of 7lnr by Molmil](/molmil-images/mine/7lnr) | Structure of the avibactam-CDD-1 120 minute complex in imidazole and MPD | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | 著者 | Smith, C.A, Vakulenko, S.B, Stewart, N.K. | 登録日 | 2021-02-08 | 公開日 | 2021-05-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases. Acs Infect Dis., 7, 2021
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7LNO
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![BU of 7lno by Molmil](/molmil-images/mine/7lno) | Structure of apo-CDD-1 beta-lactamase in imidazole and MPD | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, SULFATE ION | 著者 | Smith, C.A, Vakulenko, S.B, Stewart, N.K. | 登録日 | 2021-02-08 | 公開日 | 2021-05-12 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases. Acs Infect Dis., 7, 2021
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7LNQ
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![BU of 7lnq by Molmil](/molmil-images/mine/7lnq) | Structure of the avibactam-CDD-1 3 minute complex in imidazole and MPD | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | 著者 | Smith, C.A, Vakulenko, S.B, Stewart, N.K. | 登録日 | 2021-02-08 | 公開日 | 2021-05-12 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases. Acs Infect Dis., 7, 2021
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4MN4
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![BU of 4mn4 by Molmil](/molmil-images/mine/4mn4) | Structural Basis for the MukB-topoisomerase IV Interaction | 分子名称: | Chromosome partition protein MukB, DNA topoisomerase 4 subunit A | 著者 | Vos, S.M, Stewart, N.K, Oakley, M.G, Berger, J.M. | 登録日 | 2013-09-09 | 公開日 | 2013-10-23 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural basis for the MukB-topoisomerase IV interaction and its functional implications in vivo. Embo J., 32, 2013
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8FAJ
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![BU of 8faj by Molmil](/molmil-images/mine/8faj) | OXA-48-NA-1-157 inhibitor complex | 分子名称: | (5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, CADMIUM ION, ... | 著者 | Smith, C.A, Stewart, N.K, Toth, M, Vakulenko, S.B. | 登録日 | 2022-11-28 | 公開日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | The C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Exhibits Potent Activity against Klebsiella spp. Isolates Producing OXA-48-Type Carbapenemases. Acs Infect Dis., 9, 2023
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4ZDX
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![BU of 4zdx by Molmil](/molmil-images/mine/4zdx) | Structure of OXA-51 beta-lactamase | 分子名称: | 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, Beta-lactamase, GLYCEROL | 著者 | Smith, C.A, Antunes, N.T, Stewart, N.K, Frase, H, Toth, M, Kantardjieff, K.A, Vakulenko, S.B. | 登録日 | 2015-04-20 | 公開日 | 2015-06-17 | 最終更新日 | 2015-09-02 | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | 主引用文献 | Structural Basis for Enhancement of Carbapenemase Activity in the OXA-51 Family of Class D beta-Lactamases. Acs Chem.Biol., 10, 2015
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8DA2
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![BU of 8da2 by Molmil](/molmil-images/mine/8da2) | Acinetobacter baumannii L,D-transpeptidase | 分子名称: | L,D-transpeptidase family protein | 著者 | Toth, M, Stewart, N.K, Smith, C.A, Vakulenko, S.B. | 登録日 | 2022-06-12 | 公開日 | 2022-09-14 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The l,d-Transpeptidase Ldt Ab from Acinetobacter baumannii Is Poorly Inhibited by Carbapenems and Has a Unique Structural Architecture. Acs Infect Dis., 8, 2022
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6EDM
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![BU of 6edm by Molmil](/molmil-images/mine/6edm) | Structure of apo-CDD-1 beta-lactamase | 分子名称: | Beta-lactamase, SULFATE ION | 著者 | Smith, C.A, Vakulenko, S.B. | 登録日 | 2018-08-09 | 公開日 | 2019-08-14 | 最終更新日 | 2020-03-25 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | The crystal structures of CDD-1, the intrinsic class D beta-lactamase from the pathogenic Gram-positive bacterium Clostridioides difficile, and its complex with cefotaxime. J.Struct.Biol., 208, 2019
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6PQC
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![BU of 6pqc by Molmil](/molmil-images/mine/6pqc) | Structure of cefotaxime-CDD-1 beta-lactamase complex | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, ... | 著者 | Smith, C.A, Vakulenko, S.B. | 登録日 | 2019-07-09 | 公開日 | 2019-10-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The crystal structures of CDD-1, the intrinsic class D beta-lactamase from the pathogenic Gram-positive bacterium Clostridioides difficile, and its complex with cefotaxime. J.Struct.Biol., 208, 2019
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6N6W
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![BU of 6n6w by Molmil](/molmil-images/mine/6n6w) | |
6N6V
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![BU of 6n6v by Molmil](/molmil-images/mine/6n6v) | |