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PDB: 71 件
4ZDX
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BU of 4zdx by Molmil
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
5F83
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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
3HAM
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BU of 3ham by Molmil
Structure of the gentamicin-APH(2")-IIa complex
分子名称: (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, Aminoglycoside phosphotransferase, GLYCEROL
著者Young, P.G, Baker, E.N, Vakulenko, S.B, Smith, C.A.
登録日2009-05-02
公開日2009-07-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structures of substrate and nucleotide complexes of Enterococcus faecium aminoglycoside-2''-phosphotransferase-IIa [APH(2'')-IIa] provide insights into substrate selectivity in the APH(2'') subfamily.
J.Bacteriol., 191, 2009
5IY2
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BU of 5iy2 by Molmil
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
3HAV
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BU of 3hav by Molmil
Structure of the streptomycin-ATP-APH(2")-IIa ternary complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Aminoglycoside phosphotransferase, MAGNESIUM ION, ...
著者Young, P.G, Baker, E.N, Vakulenko, S.B, Smith, C.A.
登録日2009-05-02
公開日2009-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The crystal structures of substrate and nucleotide complexes of Enterococcus faecium aminoglycoside-2''-phosphotransferase-IIa [APH(2'')-IIa] provide insights into substrate selectivity in the APH(2'') subfamily.
J.Bacteriol., 191, 2009
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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BU of 6p9c by Molmil
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2024-10-23
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
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
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
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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BU of 6p97 by Molmil
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
6W5E
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BU of 6w5e by Molmil
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
6W5F
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BU of 6w5f by Molmil
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
6W5O
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BU of 6w5o by Molmil
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
6W5G
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BU of 6w5g by Molmil
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
7T7G
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BU of 7t7g by Molmil
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
7T7F
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BU of 7t7f by Molmil
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
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
7T7E
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BU of 7t7e by Molmil
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
4JF4
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BU of 4jf4 by Molmil
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-d ihydro-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2024-10-09
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
4JF5
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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
3LEZ
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BU of 3lez by Molmil
Crystal structure of a halotolerant bacterial beta-lactamase
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase, CALCIUM ION, ...
著者Smith, C.A, Vakulenko, S.B.
登録日2010-01-15
公開日2010-02-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献An antibiotic-resistance enzyme from a deep-sea bacterium
J.Am.Chem.Soc., 132, 2010
4ORK
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BU of 4ork by Molmil
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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