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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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 | | 最終更新日 | 2024-10-16 | | 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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1YT4
 | | Crystal structure of TEM-76 beta-lactamase at 1.4 Angstrom resolution | | 分子名称: | Beta-lactamase TEM | | 著者 | Thomas, V.L, Golemi-Kotra, D, Kim, C, Vakulenko, S.B, Mobashery, S, Shoichet, B.K. | | 登録日 | 2005-02-09 | | 公開日 | 2005-07-12 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structural Consequences of the Inhibitor-Resistant Ser130Gly Substitution in TEM beta-Lactamase.
Biochemistry, 44, 2005
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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 | 2024-10-30 | | 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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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 | 2024-10-16 | | 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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6BFF
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3N4V
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3N4T
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3NI9
 | | GES-2 carbapenemase apo form | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase GES-2 | | 著者 | Frase, H, Smith, C.A, Toth, M, Vakulenko, S.B. | | 登録日 | 2010-06-15 | | 公開日 | 2011-02-23 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2 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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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 | 2024-10-16 | | 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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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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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)meth yl]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 | 2024-10-16 | | 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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4GOG
 | | Crystal structure of the GES-1 imipenem acyl-enzyme 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-carboxylic acid, Beta-lactamase GES-1, IODIDE ION, ... | | 著者 | Smith, C.A, Vakulenko, S.B, Munoz, J. | | 登録日 | 2012-08-20 | | 公開日 | 2013-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases.
J.Am.Chem.Soc., 134, 2012
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4GNU
 | | Crystal structure of GES-5 carbapenemase | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase GES-5 | | 著者 | Smith, C.A, Vakulenko, S.B. | | 登録日 | 2012-08-17 | | 公開日 | 2013-07-24 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | | 主引用文献 | Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases.
J.Am.Chem.Soc., 134, 2012
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4H8R
 | | Imipenem complex of GES-5 carbapenemase | | 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, Extended-spectrum beta-lactamase GES-5, IODIDE ION, ... | | 著者 | Smith, C.A, Vakulenko, S.B. | | 登録日 | 2012-09-23 | | 公開日 | 2013-07-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases.
J.Am.Chem.Soc., 134, 2012
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3N4U
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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 | 2024-11-06 | | 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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3TDV
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3TDW
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6BFH
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6CTZ
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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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