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3NI9
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BU of 3ni9 by Molmil
GES-2 carbapenemase apo form
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase GES-2
著者Frase, H, Smith, C.A, Toth, M, Vakulenko, S.B.
登録日2010-06-15
公開日2011-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kinetic and structural requirements for carbapenemase activity in GES-type beta-lactamases.
Biochemistry, 54, 2015
7MEE
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BU of 7mee by Molmil
CDD-1 beta-lactamase in imidazole/MPD 6 minute avibactam complex
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ...
著者Smith, C.A, Vakulenko, S.B.
登録日2021-04-06
公開日2022-02-16
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献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
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ...
著者Smith, C.A, Vakulenko, S.B.
登録日2021-04-06
公開日2022-02-16
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献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
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ...
著者Smith, C.A, Vakulenko, S.B.
登録日2021-04-06
公開日2022-02-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, SULFATE ION
著者Smith, C.A, Vakulenko, S.B.
登録日2021-04-06
公開日2022-02-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ...
著者Smith, C.A, Vakulenko, S.B.
登録日2021-04-06
公開日2022-02-16
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献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
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ...
著者Smith, C.A, Vakulenko, S.B.
登録日2021-04-06
公開日2022-02-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ...
著者Smith, C.A, Vakulenko, S.B.
登録日2021-04-06
公開日2022-02-16
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献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
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ...
著者Smith, C.A, Vakulenko, S.B.
登録日2021-04-06
公開日2022-02-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ...
著者Smith, C.A, Vakulenko, S.B.
登録日2021-04-06
公開日2022-02-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
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
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
6N6X
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BU of 6n6x by Molmil
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
6PQC
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BU of 6pqc by Molmil
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
5CTM
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BU of 5ctm by Molmil
Structure of BPu1 beta-lactamase
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CITRATE ANION, ...
著者Smith, C.A, Vakulenko, S.B.
登録日2015-07-24
公開日2015-11-18
最終更新日2015-12-30
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Class D beta-lactamases do exist in Gram-positive bacteria.
Nat.Chem.Biol., 12, 2016
6P98
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BU of 6p98 by Molmil
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
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
6BFH
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BU of 6bfh by Molmil
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
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
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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BU of 5f82 by Molmil
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
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
5CTN
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BU of 5ctn by Molmil
Structure of BPu1 beta-lactamase
分子名称: (2~{S},3~{R})-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Beta-lactamase, CITRATE ANION
著者Smith, C.A, Vakulenko, S.B.
登録日2015-07-24
公開日2015-11-25
最終更新日2016-10-05
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Class D beta-lactamases do exist in Gram-positive bacteria.
Nat.Chem.Biol., 12, 2016
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

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