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6N6U
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BU of 6n6u by Molmil
OXA-23 mutant F110A/M221A low pH form imipenem complex
Descriptor: Beta-lactamase, Imipenem
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2018-11-27
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
4JF5
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BU of 4jf5 by Molmil
Structure of OXA-23 at pH 4.1
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, CITRATE ANION
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2013-02-27
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii.
Chem.Biol., 20, 2013
4JF4
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BU of 4jf4 by Molmil
OXA-23 meropenem complex
Descriptor: (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
Authors:Smith, C.A, Vakulenko, S.B, Toth, M.
Deposit date:2013-02-27
Release date:2013-09-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii.
Chem.Biol., 20, 2013
4JF6
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BU of 4jf6 by Molmil
Structure of OXA-23 at pH 7.0
Descriptor: Beta-lactamase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2013-02-27
Release date:2013-09-25
Last modified:2013-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii.
Chem.Biol., 20, 2013
7KEQ
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BU of 7keq by Molmil
avibactam-CDD-1 6 minute complex
Descriptor: (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, ...
Authors:Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M.
Deposit date:2020-10-11
Release date:2021-01-20
Last modified:2021-05-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of the Clostridioides difficile Class D beta-Lactamase CDD-1 by Avibactam.
Acs Infect Dis., 7, 2021
7KER
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BU of 7ker by Molmil
avibactam-CDD-1 45 minute complex
Descriptor: (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, ...
Authors:Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M.
Deposit date:2020-10-12
Release date:2021-01-20
Last modified:2021-05-26
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Inhibition of the Clostridioides difficile Class D beta-Lactamase CDD-1 by Avibactam.
Acs Infect Dis., 7, 2021
7MEF
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BU of 7mef by Molmil
CDD-1 beta-lactamase in imidazole/MPD 10 minute avibactam complex
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2021-04-06
Release date:2022-02-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
7MEE
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BU of 7mee by Molmil
CDD-1 beta-lactamase in imidazole/MPD 6 minute avibactam complex
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2021-04-06
Release date:2022-02-16
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
7MEC
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BU of 7mec by Molmil
CDD-1 beta-lactamase in imidazole/MPD 4 minute avibactam complex
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2021-04-06
Release date:2022-02-16
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
7ME9
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BU of 7me9 by Molmil
CDD-1 beta-lactamase in imidazole/MPD 30 seconds avibactam complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, SULFATE ION
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2021-04-06
Release date:2022-02-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
7MED
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BU of 7med by Molmil
CDD-1 beta-lactamase in imidazole/MPD 5 minute avibactam complex
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2021-04-06
Release date:2022-02-16
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
7MEH
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BU of 7meh by Molmil
CDD-1 beta-lactamase in imidazole/MPD 60 minute avibactam complex
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2021-04-06
Release date:2022-02-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
7MEG
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BU of 7meg by Molmil
CDD-1 beta-lactamase in imidazole/MPD 30 minute avibactam complex
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2021-04-06
Release date:2022-02-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
7MEA
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BU of 7mea by Molmil
CDD-1 beta-lactamase in imidazole/MPD 1 minute avibactam complex
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2021-04-06
Release date:2022-02-16
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
7MEB
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BU of 7meb by Molmil
CDD-1 beta-lactamase in imidazole/MPD 2 minute avibactam complex
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2021-04-06
Release date:2022-02-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
7LNR
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BU of 7lnr by Molmil
Structure of the avibactam-CDD-1 120 minute complex in imidazole and MPD
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ...
Authors:Smith, C.A, Vakulenko, S.B, Stewart, N.K.
Deposit date:2021-02-08
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
7LNO
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BU of 7lno by Molmil
Structure of apo-CDD-1 beta-lactamase in imidazole and MPD
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, SULFATE ION
Authors:Smith, C.A, Vakulenko, S.B, Stewart, N.K.
Deposit date:2021-02-08
Release date:2021-05-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
7LNQ
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BU of 7lnq by Molmil
Structure of the avibactam-CDD-1 3 minute complex in imidazole and MPD
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ...
Authors:Smith, C.A, Vakulenko, S.B, Stewart, N.K.
Deposit date:2021-02-08
Release date:2021-05-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
7KEP
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BU of 7kep by Molmil
avibactam-CDD-1 2 minute complex
Descriptor: (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, ...
Authors:Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M.
Deposit date:2020-10-11
Release date:2021-01-20
Last modified:2021-05-26
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Inhibition of the Clostridioides difficile Class D beta-Lactamase CDD-1 by Avibactam.
Acs Infect Dis., 7, 2021
4ZDX
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BU of 4zdx by Molmil
Structure of OXA-51 beta-lactamase
Descriptor: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, Beta-lactamase, GLYCEROL
Authors:Smith, C.A, Antunes, N.T, Stewart, N.K, Frase, H, Toth, M, Kantardjieff, K.A, Vakulenko, S.B.
Deposit date:2015-04-20
Release date:2015-06-17
Last modified:2015-09-02
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural Basis for Enhancement of Carbapenemase Activity in the OXA-51 Family of Class D beta-Lactamases.
Acs Chem.Biol., 10, 2015
3LEZ
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BU of 3lez by Molmil
Crystal structure of a halotolerant bacterial beta-lactamase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase, CALCIUM ION, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2010-01-15
Release date:2010-02-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:An antibiotic-resistance enzyme from a deep-sea bacterium
J.Am.Chem.Soc., 132, 2010
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