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8V9G
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BU of 8v9g by Molmil
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
8V9H
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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
6BFF
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BU of 6bff by Molmil
Structure of the aminoglycoside acetyltransferase AAC(6')-Im
分子名称: Aminoglycoside acetyltransferase, MAGNESIUM ION
著者Smith, C.A, Vakulenko, S.B.
登録日2017-10-26
公開日2017-11-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Aminoglycoside resistance profile and structural architecture of the aminoglycoside acetyltransferase AAC(6')-Im.
Microb Cell, 4, 2017
6BFH
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Structure of the kanamycin complex of aminoglycoside acetyltransferase AAC(6')-Im
分子名称: Aminoglycoside acetyltransferase, GLYCEROL, KANAMYCIN A
著者Smith, C.A, Vakulenko, S.B.
登録日2017-10-26
公開日2017-11-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Aminoglycoside resistance profile and structural architecture of the aminoglycoside acetyltransferase AAC(6')-Im.
Microb Cell, 4, 2017
7T7G
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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
7T7E
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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
7T7D
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BU of 7t7d by Molmil
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
7T7F
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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
1KJS
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BU of 1kjs by Molmil
NMR SOLUTION STRUCTURE OF C5A AT PH 5.2, 303K, 20 STRUCTURES
分子名称: C5A
著者Zhang, X, Boyar, W, Toth, M, Wennogle, L, Gonnella, N.C.
登録日1997-01-09
公開日1997-05-15
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Structural definition of the C5a C terminus by two-dimensional nuclear magnetic resonance spectroscopy.
Proteins, 28, 1997
5F83
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BU of 5f83 by Molmil
Imipenem complex of the GES-5 C69G mutant
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
著者Smith, C.A, Vakulenko, S.B.
登録日2015-12-09
公開日2016-09-07
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Role of the Conserved Disulfide Bridge in Class A Carbapenemases.
J.Biol.Chem., 291, 2016
5F82
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Apo GES-5 C69G mutant
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase
著者Smith, C.A, Vakulenko, S.B.
登録日2015-12-08
公開日2016-09-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Role of the Conserved Disulfide Bridge in Class A Carbapenemases.
J.Biol.Chem., 291, 2016
4JF5
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BU of 4jf5 by Molmil
Structure of OXA-23 at pH 4.1
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CITRATE ANION
著者Smith, C.A, Vakulenko, S.B.
登録日2013-02-27
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii.
Chem.Biol., 20, 2013
4JF6
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Structure of OXA-23 at pH 7.0
分子名称: Beta-lactamase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Smith, C.A, Vakulenko, S.B.
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 (2.5 Å)
主引用文献Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii.
Chem.Biol., 20, 2013
6P96
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OXA-48 carbapanemase, apo form
分子名称: Beta-lactamase, CADMIUM ION, CALCIUM ION, ...
著者Smith, C.A, Vakulenko, S.B.
登録日2019-06-10
公開日2019-08-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase.
Antimicrob.Agents Chemother., 63, 2019
6P9C
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OXA-48 carbapanemase, doripenem complex
分子名称: (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, CADMIUM ION, ...
著者Smith, C.A, Vakulenko, S.B.
登録日2019-06-10
公開日2019-08-07
最終更新日2019-10-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase.
Antimicrob.Agents Chemother., 63, 2019
6P99
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OXA-48 carbapanemase, ertapenem 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, Beta-lactamase, CADMIUM ION, ...
著者Smith, C.A, Vakulenko, S.B.
登録日2019-06-10
公開日2019-08-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase.
Antimicrob.Agents Chemother., 63, 2019
6PQC
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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
6P98
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OXA-48 carbapanemase, meropenem complex
分子名称: Beta-lactamase, CADMIUM ION, CALCIUM ION, ...
著者Smith, C.A, Vakulenko, S.B.
登録日2019-06-10
公開日2019-08-07
最終更新日2019-10-09
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase.
Antimicrob.Agents Chemother., 63, 2019
6P97
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OXA-48 carbapanemase, imipenem 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, CADMIUM ION, ...
著者Smith, C.A, Vakulenko, S.B.
登録日2019-06-10
公開日2019-08-07
最終更新日2019-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase.
Antimicrob.Agents Chemother., 63, 2019
3TDV
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BU of 3tdv by Molmil
Structure of the GDP complex of wild-type aminoglycoside 2'-phosphotransferase-IIIa
分子名称: GUANOSINE-5'-DIPHOSPHATE, Gentamicin resistance protein, MAGNESIUM ION
著者Smith, C.A, Vakulenko, S.B.
登録日2011-08-11
公開日2012-03-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Aminoglycoside-2' phosphotransferase-IIIa (APH(2')-IIIa) prefers GTP over ATP: Structural templates for nucleotide recognition in the bacterial aminoglycoside-2' kinases.
J.Biol.Chem., 287, 2012
3TDW
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BU of 3tdw by Molmil
The GDP complex of the aminoglycoside 2'-phosphotransfere-IIIa F108L mutant
分子名称: GUANOSINE-5'-DIPHOSPHATE, Gentamicin resistance protein, MAGNESIUM ION
著者Smith, C.A, Vakulenko, S.B.
登録日2011-08-11
公開日2012-03-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Aminoglycoside 2''-Phosphotransferase IIIa (APH(2'')-IIIa) Prefers GTP over ATP: STRUCTURAL TEMPLATES FOR NUCLEOTIDE RECOGNITION IN THE BACTERIAL AMINOGLYCOSIDE-2'' KINASES.
J.Biol.Chem., 287, 2012
6CTZ
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BU of 6ctz by Molmil
Structure of the GDP and kanamycin complex of APH(2")-IIia
分子名称: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Gentamicin resistance protein, ...
著者Smith, C.A, Vakulenko, S.B.
登録日2018-03-23
公開日2019-03-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Structural basis for the diversity of the mechanism of nucleotide hydrolysis by the aminoglycoside-2''-phosphotransferases
Acta Crystallogr.,Sect.D, 75, 2019
6EDM
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BU of 6edm by Molmil
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
4GOG
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BU of 4gog by Molmil
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
4GNU
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BU of 4gnu by Molmil
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
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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