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4JF6
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BU of 4jf6 by Molmil
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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BU of 6p96 by Molmil
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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BU of 6p99 by Molmil
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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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
2QPN
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BU of 2qpn by Molmil
GES-1 beta-lactamase
分子名称: Beta-lactamase GES-1, SULFATE ION
著者Smith, C.A, Caccamo, M, Kantardjieff, K.A, Vakulenko, S.
登録日2007-07-24
公開日2008-08-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structure of GES-1 at atomic resolution: insights into the evolution of carbapenamase activity in the class A extended-spectrum beta-lactamases.
Acta Crystallogr.,Sect.D, 63, 2007
8FTG
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BU of 8ftg by Molmil
Biophysical and Structural Characterization of an Anti-Caffeine VHH Antibody
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anti-Caffeine VHH Antibody, CAFFEINE, ...
著者Horn, J.R, Smith, C.A, Sonneson, G.J, Walter, R.
登録日2023-01-12
公開日2023-06-07
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Molecular recognition requires dimerization of a VHH antibody.
Mabs, 15, 2023
1VOM
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BU of 1vom by Molmil
COMPLEX BETWEEN DICTYOSTELIUM MYOSIN AND MGADP AND VANADATE AT 1.9A RESOLUTION
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MYOSIN, ...
著者Rayment, I, Smith, C.A.
登録日1995-11-09
公開日1996-12-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray structure of the magnesium(II).ADP.vanadate complex of the Dictyostelium discoideum myosin motor domain to 1.9 A resolution.
Biochemistry, 35, 1996
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
8TH2
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BU of 8th2 by Molmil
Structure of the isoflavene-forming dirigent protein PsPTS2
分子名称: Dirigent protein
著者Smith, C.A, Meng, Q, Lewis, N.G, Davin, L.B.
登録日2023-07-13
公開日2024-01-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Dirigent isoflavene-forming PsPTS2: 3D structure, stereochemical, and kinetic characterization comparison with pterocarpan-forming PsPTS1 homolog in pea.
J.Biol.Chem., 300, 2024
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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BU of 8v9h by Molmil
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
6N6V
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BU of 6n6v by Molmil
OXA-23 mutant F110A/M221A low pH form meropenem complex
分子名称: Beta-lactamase, meropenem, bound form
著者Smith, C.A, Vakulenko, S.B.
登録日2018-11-27
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
6N6T
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BU of 6n6t by Molmil
OXA-23 mutant F110A/M221A low pH form
分子名称: Beta-lactamase oxa23, CITRATE ANION
著者Smith, C.A, Vakulenko, S.B.
登録日2018-11-27
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
6N6Y
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BU of 6n6y by Molmil
OXA-23 mutant F110A/M221A neutral pH form meropenem complex
分子名称: Beta-lactamase oxa23, meropenem, bound form
著者Smith, C.A, Vakulenko, S.B.
登録日2018-11-27
公開日2018-12-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.501 Å)
主引用文献Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
6N6X
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OXA-23 mutant F110A/M221A neutral pH form imipenem complex
分子名称: Beta-lactamase oxa23, Imipenem, SULFATE ION
著者Smith, C.A, Vakulenko, S.B.
登録日2018-11-27
公開日2018-12-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
6N6W
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BU of 6n6w by Molmil
OXA-23 mutant F110A/M221A neutral pH form
分子名称: Beta-lactamase oxa23
著者Smith, C.A, Vakulenko, S.B.
登録日2018-11-27
公開日2018-12-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
6N6U
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BU of 6n6u by Molmil
OXA-23 mutant F110A/M221A low pH form imipenem complex
分子名称: Beta-lactamase, Imipenem
著者Smith, C.A, Vakulenko, S.B.
登録日2018-11-27
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
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
1MND
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BU of 1mnd by Molmil
TRUNCATED HEAD OF MYOSIN FROM DICTYOSTELIUM DISCOIDEUM COMPLEXED WITH MGADP-ALF4
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MYOSIN, ...
著者Smith, C.A, Rayment, I.
登録日1995-04-15
公開日1996-08-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献X-ray structures of the myosin motor domain of Dictyostelium discoideum complexed with MgADP.BeFx and MgADP.AlF4-.
Biochemistry, 34, 1995
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
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

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