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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3N4V
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3N4U
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3N4T
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4NET
 | | Crystal structure of ADC-1 beta-lactamase | | 分子名称: | AmpC, GLYCEROL, NITRATE ION | | 著者 | Bhattacharya, M, Toth, M, Antunes, N.T, Smith, C.A, Vakulenko, S.B. | | 登録日 | 2013-10-30 | | 公開日 | 2014-03-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Structure of the extended-spectrum class C beta-lactamase ADC-1 from Acinetobacter baumannii.
Acta Crystallogr.,Sect.D, 70, 2014
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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
 | | 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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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
 | | 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
 | | 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
 | | 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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4JF4
 | | OXA-23 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-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase | | 著者 | Smith, C.A, Vakulenko, S.B, Toth, M. | | 登録日 | 2013-02-27 | | 公開日 | 2013-09-25 | | 最終更新日 | 2013-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii.
Chem.Biol., 20, 2013
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4K91
 | | Crystal structure of Penicillin-Binding Protein 5 (PBP5) from Pseudomonas aeruginosa in apo state | | 分子名称: | D-ala-D-ala-carboxypeptidase, SUCCINIC ACID | | 著者 | Smith, J, Toth, M, Vakulenko, S, Mobashery, S, Chen, Y. | | 登録日 | 2013-04-19 | | 公開日 | 2013-09-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structural analysis of the role of Pseudomonas aeruginosa penicillin-binding protein 5 in beta-lactam resistance.
Antimicrob.Agents Chemother., 57, 2013
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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
 | | 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
 | | 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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4FKA
 | | High resolution structure of the manganese derivative of insulin | | 分子名称: | Insulin A chain, Insulin B chain, MANGANESE (II) ION, ... | | 著者 | Prugovecki, B, Pulic, I, Toth, M, Matkovic-Calogovic, D. | | 登録日 | 2012-06-13 | | 公開日 | 2013-02-13 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | High Resolution Structure of the Manganese Derivative of Insulin
Croat.Chem.Acta, 85, 2012
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4ORK
 | | Crystal Structure of the Phosphotransferase Domain of the Bifunctional Aminoglycoside Resistance Enzyme AAC(6')-Ie-APH(2'')-Ia | | 分子名称: | Bifunctional AAC/APH, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | 著者 | Smith, C.A, Toth, M, Bhattacharya, M, Frase, H, Vakulenko, S.B. | | 登録日 | 2014-02-11 | | 公開日 | 2014-07-02 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure of the phosphotransferase domain of the bifunctional aminoglycoside-resistance enzyme AAC(6')-Ie-APH(2'')-Ia.
Acta Crystallogr.,Sect.D, 70, 2014
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3NIA
 | | GES-2 carbapenemase tazobactam complex | | 分子名称: | (3S)-3-(dihydroxy-lambda~4~-sulfanyl)-4-(1H-1,2,3-triazol-1-yl)-D-valine, Beta-lactamase GES-2, TAZOBACTAM INTERMEDIATE | | 著者 | Frase, H, Smith, C.A, Toth, M, Vakulenko, S.B. | | 登録日 | 2010-06-15 | | 公開日 | 2011-03-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Inhibition of the GES-2 beta-Lactamse by Tazobactam: Detection of Reaction
Intermediates by UV and Mass Spectrometry and X-Ray Crystallography
To be Published
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4QC6
 | | Crystal structure of aminoglycoside 6'-acetyltransferase-Ie | | 分子名称: | (3R,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphaheptadecane-17-sulfinic acid 3,5-dioxide (non-preferred name), Bifunctional AAC/APH, FORMIC ACID, ... | | 著者 | Smith, C.A, Toth, M, Weiss, T.M, Frase, H, Vakulenko, S.B. | | 登録日 | 2014-05-09 | | 公開日 | 2014-10-22 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Structure of the bifunctional aminoglycoside-resistance enzyme AAC(6')-Ie-APH(2'')-Ia revealed by crystallographic and small-angle X-ray scattering analysis.
Acta Crystallogr.,Sect.D, 70, 2014
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4OH0
 | | Crystal structure of OXA-58 carbapenemase | | 分子名称: | Beta-lactamase OXA-58, CHLORIDE ION | | 著者 | Smith, C.A, Antunes, N.T, Toth, M, Vakulenko, S.B. | | 登録日 | 2014-01-16 | | 公開日 | 2014-02-26 | | 最終更新日 | 2014-04-02 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Crystal Structure of Carbapenemase OXA-58 from Acinetobacter baumannii.
Antimicrob.Agents Chemother., 58, 2014
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5IY2
 | | Structure of apo OXA-143 carbapenemase | | 分子名称: | Beta-lactamase OXA-143, GLYCEROL | | 著者 | Smith, C.A, Vakulenko, S.B. | | 登録日 | 2016-03-23 | | 公開日 | 2017-08-09 | | 最終更新日 | 2019-12-11 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | The role of conserved surface hydrophobic residues in the carbapenemase activity of the class D beta-lactamases.
Acta Crystallogr D Struct Biol, 73, 2017
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5CTN
 | | Structure of BPu1 beta-lactamase | | 分子名称: | (2~{S},3~{R})-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Beta-lactamase, CITRATE ANION | | 著者 | Smith, C.A, Vakulenko, S.B. | | 登録日 | 2015-07-24 | | 公開日 | 2015-11-25 | | 最終更新日 | 2016-10-05 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Class D beta-lactamases do exist in Gram-positive bacteria.
Nat.Chem.Biol., 12, 2016
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5CTM
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3LEZ
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