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2WGI
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BU of 2wgi by Molmil
Crystal structure of the acyl-enzyme OXA-10 W154A-benzylpenicillin at pH 6
分子名称: BETA-LACTAMASE OXA-10, GLYCEROL, OPEN FORM - PENICILLIN G
著者Vercheval, L, Falzone, C, Sauvage, E, Herman, R, Charlier, P, Galleni, M, Kerff, F.
登録日2009-04-20
公開日2009-11-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Critical Role of Tryptophan 154 for the Activity and Stability of Class D Beta-Lactamases.
Biochemistry, 48, 2009
5DTK
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BU of 5dtk by Molmil
Fragments bound to the OXA-48 beta-lactamase: Compound 17
分子名称: 1,2-ETHANEDIOL, 3,5-di(pyridin-4-yl)benzoic acid, Beta-lactamase, ...
著者Lund, B.A, Christopeit, T, Leiros, H.-K.S.
登録日2015-09-18
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.60000241 Å)
主引用文献Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
5E2F
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BU of 5e2f by Molmil
Crystal Structure of Beta-lactamase class D from Bacillus subtilis
分子名称: 1,2-ETHANEDIOL, Beta-lactamase YbxI, CALCIUM ION
著者Kim, Y, Joachimiak, G, Endres, M, Babnigg, G, Joachimiak, A, MCSG, Midwest Center for Structural Genomics (MCSG)
登録日2015-10-01
公開日2015-10-14
最終更新日2022-03-30
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structure of Beta-lactamase class D from Bacillus subtilis
To Be Published
5DTT
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BU of 5dtt by Molmil
Fragments bound to the OXA-48 beta-lactamase: Compound 3
分子名称: 1,2-ETHANEDIOL, 3-(1,3-thiazol-2-yl)benzoic acid, Beta-lactamase, ...
著者Lund, B.A, Christopeit, T, Leiros, H.-K.S.
登録日2015-09-18
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.10000539 Å)
主引用文献Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
5DTS
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BU of 5dts by Molmil
Fragments bound to the OXA-48 beta-lactamase: Compound 2
分子名称: 3-(pyridin-3-yl)benzoic acid, Beta-lactamase, CHLORIDE ION
著者Lund, B.A, Christopeit, T, Leiros, H.-K.S.
登録日2015-09-18
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.94015872 Å)
主引用文献Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
2UWX
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BU of 2uwx by Molmil
Active site restructuring regulates ligand recognition in class A penicillin-binding proteins
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, ...
著者Macheboeuf, P, DiGuilmi, A.M, Job, V, Vernet, T, Dideberg, O, Dessen, A.
登録日2007-03-23
公開日2007-04-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Active Site Restructuring Regulates Ligand Recognition in Class a Penicillin-Binding Proteins
Proc.Natl.Acad.Sci.USA, 102, 2005
2X01
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BU of 2x01 by Molmil
CRYSTAL STRUCTURE OF THE OXA-10 S67A MUTANT AT PH 7
分子名称: BETA-LACTAMASE OXA-10, DIMETHYL SULFOXIDE, SULFATE ION, ...
著者Vercheval, L, Kerff, F, Bauvois, C, Sauvage, E, Guiet, R, Galleni, M, Charlier, P.
登録日2009-12-04
公開日2010-12-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Evidence of Chloride Inhibition and Impact of the Hydrophobic Core on the Lysine Carboxylated in Class D Beta-Lactamase
To be Published
5CRF
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BU of 5crf by Molmil
Structure of the penicillin-binding protein PonA1 from Mycobacterium Tuberculosis
分子名称: PHOSPHATE ION, Penicillin-binding protein 1A
著者Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Kieser, K, Endres, M, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
登録日2015-07-22
公開日2016-05-04
最終更新日2016-07-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of the transpeptidase domain of the Mycobacterium tuberculosis penicillin-binding protein PonA1 reveal potential mechanisms of antibiotic resistance.
Febs J., 283, 2016
2WKI
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BU of 2wki by Molmil
Crystal structure of the OXA-10 K70C mutant at pH 7.0
分子名称: 1,2-ETHANEDIOL, BETA-LACTAMASE OXA-10, GLYCEROL, ...
著者Vercheval, L, Bauvois, C, Kerff, F, Sauvage, E, Guiet, R, Charlier, P, Galleni, M.
登録日2009-06-11
公開日2010-08-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Three Factors that Modulate the Activity of Class D Beta-Lactamases and Interfere with the Post-Translational Carboxylation of Lys70.
Biochem.J., 432, 2010
2WKH
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BU of 2wkh by Molmil
Crystal structure of the acyl-enzyme OXA-10 K70C-Ampicillin at pH 7
分子名称: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, BETA-LACTAMASE OXA-10, SULFATE ION
著者Vercheval, L, Bauvois, C, Kerff, F, Sauvage, E, Guiet, R, Charlier, P, Galleni, M.
登録日2009-06-11
公開日2010-08-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.791 Å)
主引用文献Three Factors that Modulate the Activity of Class D Beta-Lactamases and Interfere with the Post-Translational Carboxylation of Lys70.
Biochem.J., 432, 2010
2X02
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BU of 2x02 by Molmil
CRYSTAL STRUCTURE OF THE CLASS D BETA-LACTAMASE OXA-10 AT 1.35 A RESOLUTION
分子名称: BETA-LACTAMASE OXA-10, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Vercheval, L, Kerff, F, Sauvage, E, Herman, R, Galleni, M, Charlier, P.
登録日2009-12-04
公開日2010-12-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Impact of the Carboxylated Lysine on the Acylation and Deacylation Step in Class D Beta-Lactamase
To be Published
5MMY
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BU of 5mmy by Molmil
Crystal structure of OXA10 with HEPES
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase OXA-10, ...
著者Brem, J.
登録日2016-12-12
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献(13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions.
Org. Biomol. Chem., 15, 2017
5MOX
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BU of 5mox by Molmil
OXA-10 Avibactam complex with bound CO2
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase OXA-10, CARBON DIOXIDE, ...
著者Brem, J.
登録日2016-12-14
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献(13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions.
Org. Biomol. Chem., 15, 2017
5MNU
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BU of 5mnu by Molmil
OXA-10 Avibactam complex with bound bromide
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, BROMIDE ION, Beta-lactamase OXA-10, ...
著者Brem, J, McDonough, M, Clifton, I.
登録日2016-12-13
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献(13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions.
Org. Biomol. Chem., 15, 2017
7JHQ
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BU of 7jhq by Molmil
OXA-48 bound by Compound 2.3
分子名称: 1,2-ETHANEDIOL, Beta-lactamase OXA-48, CHLORIDE ION, ...
著者Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T.
登録日2020-07-21
公開日2021-12-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
1K55
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BU of 1k55 by Molmil
OXA 10 class D beta-lactamase at pH 7.5
分子名称: 1,2-ETHANEDIOL, Beta lactamase OXA-10, SULFATE ION
著者Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S.
登録日2001-10-10
公開日2001-11-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases.
Proc.Natl.Acad.Sci.USA, 98, 2001
1K56
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BU of 1k56 by Molmil
OXA 10 class D beta-lactamase at pH 6.5
分子名称: OXA10 beta-lactamase, SULFATE ION
著者Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S.
登録日2001-10-10
公開日2001-11-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases.
Proc.Natl.Acad.Sci.USA, 98, 2001
1K6R
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BU of 1k6r by Molmil
STRUCTURE OF THE CLASS D BETA-LACTAMASE OXA-10 IN COMPLEX WITH MOXALACTAM
分子名称: (2R)-2-((R)-CARBOXY{[CARBOXY(4-HYDROXYPHENYL)ACETYL]AMINO}METHOXYMETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-1,3-OXAZINE-4-CARBO XYLIC ACID, Beta-lactamase PSE-2
著者Kerff, F, Fonze, E, Sauvage, E, Frere, J.M, Charlier, P.
登録日2001-10-17
公開日2003-06-24
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献CRYSTAL STRUCTURE OF CLASS D BETA-LACTAMASE OXA-10 IN COMPLEX WITH DIFFERENT SUBSTRATES AND ONE INHIBITOR.
To be Published
1K57
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BU of 1k57 by Molmil
OXA 10 class D beta-lactamase at pH 6.0
分子名称: BETA LACTAMASE OXA-10, SULFATE ION
著者Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S.
登録日2001-10-10
公開日2001-11-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases.
Proc.Natl.Acad.Sci.USA, 98, 2001
1K6S
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BU of 1k6s by Molmil
STRUCTURE OF THE CLASS D BETA-LACTAMASE OXA-10 IN COMPLEX WITH A PHENYLBORONIC ACID
分子名称: 4-IODO-ACETAMIDO PHENYLBORONIC ACID, Beta-lactamase PSE-2, CALCIUM ION, ...
著者Kerff, F, Fonze, E, Sauvage, E, Frere, J.M, Charlier, P.
登録日2001-10-17
公開日2003-06-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献CRYSTAL STRUCTURE OF CLASS D BETA-LACTAMASE OXA-10 IN COMPLEX WITH DIFFERENT SUBSTRATES AND ONE INHIBITOR.
To be Published
1K4E
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BU of 1k4e by Molmil
CRYSTAL STRUCTURE OF THE CLASS D BETA-LACTAMASES OXA-10 DETERMINED BY MAD PHASING WITH SELENOMETHIONINE
分子名称: Beta-lactamase PSE-2, SULFATE ION
著者Kerff, F, Fonze, E, Bouillene, F, Frere, J.M, Charlier, P.
登録日2001-10-08
公開日2001-10-31
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献STRUCTURE OF CLASS D BETA-LACTAMASE OXA-2
To be Published
1K4F
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BU of 1k4f by Molmil
CRYSTAL STRUCTURE OF THE CLASS D BETA-LACTAMASE OXA-10 AT 1.6 A RESOLUTION
分子名称: Beta-lactamase PSE-2, SULFATE ION
著者Kerff, F, Fonze, E, Bouillene, F, Frere, J.M, Charlier, P.
登録日2001-10-08
公開日2001-10-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of the class D beta-lactamase OXA-2
To be Published
1K54
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BU of 1k54 by Molmil
OXA-10 class D beta-lactamase partially acylated with reacted 6beta-(1-hydroxy-1-methylethyl) penicillanic acid
分子名称: (1R)-2-(1-CARBOXY-2-HYDROXY-2-METHYL-PROPYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, 1,2-ETHANEDIOL, Beta lactamase OXA-10, ...
著者Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S.
登録日2001-10-10
公開日2001-11-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases.
Proc.Natl.Acad.Sci.USA, 98, 2001
1K38
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BU of 1k38 by Molmil
CRYSTAL STRUCTURE OF THE CLASS D BETA-LACTAMASE OXA-2
分子名称: Beta-lactamase OXA-2, FORMIC ACID
著者Kerff, F, Fonze, E, Bouillenne, F, Frere, J.M, Charlier, P.
登録日2001-10-02
公開日2003-06-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献CRYSTAL STRUCTURE OF THE CLASS D BETA-LACTAMASE OXA-2
To be Published
7K5V
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BU of 7k5v by Molmil
OXA-48 bound by Compound 3.1
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
著者Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T.
登録日2020-09-17
公開日2021-12-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021

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