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6N6T
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BU of 6n6t by Molmil
OXA-23 mutant F110A/M221A low pH form
Descriptor: Beta-lactamase oxa23, CITRATE ANION
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 (1.25 Å)
Cite:Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
6N6X
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BU of 6n6x by Molmil
OXA-23 mutant F110A/M221A neutral pH form imipenem complex
Descriptor: Beta-lactamase oxa23, Imipenem, SULFATE ION
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2018-11-27
Release date:2018-12-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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
Descriptor: Beta-lactamase, Imipenem
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2018-11-27
Release date:2018-12-19
Last modified:2024-10-23
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
6N6Y
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BU of 6n6y by Molmil
OXA-23 mutant F110A/M221A neutral pH form meropenem complex
Descriptor: Beta-lactamase oxa23, meropenem, bound form
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2018-11-27
Release date:2018-12-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.501 Å)
Cite:Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
4OH0
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BU of 4oh0 by Molmil
Crystal structure of OXA-58 carbapenemase
Descriptor: Beta-lactamase OXA-58, CHLORIDE ION
Authors:Smith, C.A, Antunes, N.T, Toth, M, Vakulenko, S.B.
Deposit date:2014-01-16
Release date:2014-02-26
Last modified:2014-04-02
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of Carbapenemase OXA-58 from Acinetobacter baumannii.
Antimicrob.Agents Chemother., 58, 2014
6N6V
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BU of 6n6v by Molmil
OXA-23 mutant F110A/M221A low pH form meropenem complex
Descriptor: Beta-lactamase, meropenem, bound form
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
4QC6
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BU of 4qc6 by Molmil
Crystal structure of aminoglycoside 6'-acetyltransferase-Ie
Descriptor: (3R,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphaheptadecane-17-sulfinic acid 3,5-dioxide (non-preferred name), Bifunctional AAC/APH, FORMIC ACID, ...
Authors:Smith, C.A, Toth, M, Weiss, T.M, Frase, H, Vakulenko, S.B.
Deposit date:2014-05-09
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of the bifunctional aminoglycoside-resistance enzyme AAC(6')-Ie-APH(2'')-Ia revealed by crystallographic and small-angle X-ray scattering analysis.
Acta Crystallogr.,Sect.D, 70, 2014
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:2024-10-23
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
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
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
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
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
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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