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3IF6
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BU of 3if6 by Molmil
Crystal structure of OXA-46 beta-lactamase from P. aeruginosa
分子名称: 1,2-ETHANEDIOL, HEXAETHYLENE GLYCOL, L(+)-TARTARIC ACID, ...
著者Docquier, J.D, Benvenuti, M, Calderone, V, Giuliani, F, Kapetis, D, De Luca, F, Rossolini, G.M, Mangani, S.
登録日2009-07-24
公開日2010-03-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the narrow-spectrum OXA-46 class D beta-lactamase: relationship between active-site lysine carbamylation and inhibition by polycarboxylates
Antimicrob.Agents Chemother., 54, 2010
3HBR
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BU of 3hbr by Molmil
Crystal structure of OXA-48 beta-lactamase
分子名称: 1,2-ETHANEDIOL, OXA-48
著者Calderone, V, Mangani, S, Benvenuti, M, Rossolini, G.M, Docquier, J.D.
登録日2009-05-05
公開日2009-06-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the OXA-48 beta-lactamase reveals mechanistic diversity among class D carbapenemases.
Chem.Biol., 16, 2009
3QNB
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BU of 3qnb by Molmil
Crystal Structure of an Engineered OXA-10 Variant with Carbapenemase Activity, OXA-10loop24
分子名称: 1,2-ETHANEDIOL, Oxacillinase, SULFATE ION
著者De Luca, F, Benvenuti, M, Carboni, F, Pozzi, C, Rossolini, G.M, Mangani, S, Docquier, J.D.
登録日2011-02-08
公開日2011-11-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Evolution to carbapenem-hydrolyzing activity in noncarbapenemase class D {beta}-lactamase OXA-10 by rational protein design.
Proc.Natl.Acad.Sci.USA, 108, 2011
3LVZ
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BU of 3lvz by Molmil
New refinement of the crystal structure of BJP-1, a subclass B3 metallo-beta-lactamase of Bradyrhizobium japonicum
分子名称: Blr6230 protein, ZINC ION
著者Docquier, J.D, Benvenuti, M, Calderone, V, Stoczko, M, Rossolini, G.M, Mangani, S.
登録日2010-02-23
公開日2011-01-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High-resolution crystal structure of the subclass B3 metallo-beta-lactamase BJP-1: rational basis for substrate specificity and interaction with sulfonamides.
Antimicrob.Agents Chemother., 54, 2010
3P98
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BU of 3p98 by Molmil
The crystal structure of the extended spectrum beta-lactamase TEM-72 reveals inhibition by citrate
分子名称: Beta-lactamase TEM-72, CITRIC ACID, DI(HYDROXYETHYL)ETHER
著者Docquier, J.D, Benvenuti, M, Calderone, V, Rossolini, G.M, Mangani, S.
登録日2010-10-16
公開日2011-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the extended-spectrum [beta]-lactamase TEM-72 inhibited by citrate
Acta Crystallogr.,Sect.F, 67, 2011
3QNC
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BU of 3qnc by Molmil
Crystal Structure of a Rationally Designed OXA-10 Variant Showing Carbapenemase Activity, OXA-10loop48
分子名称: 1,2-ETHANEDIOL, CARBON DIOXIDE, Oxacillinase, ...
著者De Luca, F, Benvenuti, M, Carboni, F, Pozzi, C, Rossolini, G.M, Mangani, S, Docquier, J.D.
登録日2011-02-08
公開日2011-11-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Evolution to carbapenem-hydrolyzing activity in noncarbapenemase class D {beta}-lactamase OXA-10 by rational protein design.
Proc.Natl.Acad.Sci.USA, 108, 2011
1N8N
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BU of 1n8n by Molmil
Crystal structure of the Au3+ complex of AphA class B acid phosphatase/phosphotransferase from E. coli at 1.69 A resolution
分子名称: Class B acid phosphatase, GOLD 3+ ION
著者Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S.
登録日2002-11-21
公開日2004-02-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献The first structure of a bacterial class B Acid phosphatase reveals further structural heterogeneity among phosphatases of the haloacid dehalogenase fold.
J.Mol.Biol., 335, 2004
2B8J
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BU of 2b8j by Molmil
Crystal structure of AphA class B acid phosphatase/phosphotransferase ternary complex with adenosine and phosphate at 2 A resolution
分子名称: ADENOSINE, GOLD 3+ ION, GOLD ION, ...
著者Calderone, V, Forleo, C, Benvenuti, M, Thaller, M.C, Rossolini, G.M, Mangani, S.
登録日2005-10-07
公開日2005-11-29
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.033 Å)
主引用文献A structure-based proposal for the catalytic mechanism of the bacterial acid phosphatase AphA belonging to the DDDD superfamily of phosphohydrolases
J.Mol.Biol., 355, 2006
2B82
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BU of 2b82 by Molmil
Crystal structure of AphA class B acid phosphatase/phosphotransferase ternary complex with adenosine and phosphate bound to the catalytic metal at 1.2 A resolution
分子名称: ADENOSINE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Calderone, V, Forleo, C, Benvenuti, M, Thaller, M.C, Rossolini, G.M, Mangani, S.
登録日2005-10-06
公開日2005-11-29
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A structure-based proposal for the catalytic mechanism of the bacterial acid phosphatase AphA belonging to the DDDD superfamily of phosphohydrolases
J.Mol.Biol., 355, 2006
1KO2
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BU of 1ko2 by Molmil
VIM-2, a Zn-beta-lactamase from Pseudomonas aeruginosa with an oxidized Cys (cysteinesulfonic)
分子名称: ACETATE ION, VIM-2 metallo-beta-lactamase, ZINC ION
著者Garcia-Saez, I, Docquier, J.-D, Rossolini, G.M, Dideberg, O.
登録日2001-12-20
公開日2003-09-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The three-dimensional structure of VIM-2, a Zn-beta-lactamase from Pseudomonas aeruginosa in its reduced and oxidised form
J.Mol.Biol., 375, 2008
1KO3
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BU of 1ko3 by Molmil
VIM-2, a Zn-beta-lactamase from Pseudomonas aeruginosa with Cys221 reduced
分子名称: ACETATE ION, CHLORIDE ION, HYDROXIDE ION, ...
著者Garcia-Saez, I, Docquier, J.-D, Rossolini, G.M, Dideberg, O.
登録日2001-12-20
公開日2003-09-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献The three-dimensional structure of VIM-2, a Zn-beta-lactamase from Pseudomonas aeruginosa in its reduced and oxidised form
J.Mol.Biol., 375, 2008
1RMT
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BU of 1rmt by Molmil
Crystal structure of AphA class B acid phosphatase/phosphotransferase complexed with adenosine.
分子名称: ADENOSINE, Class B acid phosphatase, MAGNESIUM ION
著者Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S.
登録日2003-11-28
公開日2004-12-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Insights in the catalytic mechanism of AphA from Escherichia coli
To be Published
1RMQ
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BU of 1rmq by Molmil
Crystal structure of AphA class B acid phosphatase/phosphotransferase with osmiate mimicking the catalytic intermediate
分子名称: COBALT (II) ION, Class B acid phosphatase, OSMIUM ION
著者Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S.
登録日2003-11-28
公開日2004-12-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insights in the catalytic mechanism of AphA from Escherichia coli
To be Published
1RMY
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BU of 1rmy by Molmil
Crystal structure of AphA class B acid phosphatase/phosphotransferase ternary complex with deoxycytosine and phosphate bound to the catalytic metal
分子名称: 2'-DEOXYCYTIDINE, Class B acid phosphatase, MAGNESIUM ION, ...
著者Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S.
登録日2003-11-28
公開日2004-12-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Insights in the catalytic mechanism of AphA from Escherichia coli
To be Published
1N9K
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BU of 1n9k by Molmil
Crystal structure of the bromide adduct of AphA class B acid phosphatase/phosphotransferase from E. coli at 2.2 A resolution
分子名称: BROMIDE ION, Class B acid phosphatase, MAGNESIUM ION
著者Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S.
登録日2002-11-25
公開日2004-02-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The first structure of a bacterial class B Acid phosphatase reveals further structural heterogeneity among phosphatases of the haloacid dehalogenase fold.
J.Mol.Biol., 335, 2004
2GMN
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BU of 2gmn by Molmil
Crystal structure of BJP-1, a subclass B3 metallo-beta-lactamase of Bradyrhizobium japonicum
分子名称: Metallo-beta-lactamase, ZINC ION
著者Calderone, V, Benvenuti, M, Stoczko, M, Docquier, J.D, Rossolini, G.M, Mangani, S.
登録日2006-04-07
公開日2007-04-24
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Postgenomic scan of metallo-beta-lactamase homologues in rhizobacteria: identification and characterization of BJP-1, a subclass B3 ortholog from Bradyrhizobium japonicum.
Antimicrob.Agents Chemother., 50, 2006
2G1A
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BU of 2g1a by Molmil
Crystal structure of the complex between Apha class B acid phosphatase/phosphotransferase
分子名称: Class B acid phosphatase, MAGNESIUM ION, {[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACID
著者Leone, R, Calderone, V, Cappelletti, E, Benvenuti, M, Mangani, S.
登録日2006-02-14
公開日2007-04-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the complex between Apha class B acid phosphatase/phosphotransferase
To be published
4WMC
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BU of 4wmc by Molmil
OXA-48 covalent complex with Avibactam inhibitor
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CARBON DIOXIDE
著者Mangani, S, Benvenuti, M, Docquier, J.D.
登録日2014-10-08
公開日2014-12-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular Basis of Selective Inhibition and Slow Reversibility of Avibactam against Class D Carbapenemases: A Structure-Guided Study of OXA-24 and OXA-48.
Acs Chem.Biol., 10, 2015
5WCM
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BU of 5wcm by Molmil
Crystal structure of the complex between class B3 beta-lactamase BJP-1 and 4-nitrobenzene-sulfonamide - new refinement
分子名称: 4-nitrobenzenesulfonamide, Blr6230 protein, ZINC ION
著者Docquier, J.D, Benvenuti, M, Calderone, V, Menciassi, N, Shabalin, I.G, Raczynska, J.E, Wlodawer, A, Jaskolski, M, Minor, W, Mangani, S.
登録日2017-06-30
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献High-resolution crystal structure of the subclass B3 metallo-beta-lactamase BJP-1: rational basis for substrate specificity and interaction with sulfonamides.
Antimicrob. Agents Chemother., 54, 2010
4WM9
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BU of 4wm9 by Molmil
Acinetobacter baumanii OXA-24 complex with Avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ...
著者Mangani, S, Benvenuti, M, Docquier, J.-D.
登録日2014-10-08
公開日2014-12-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular Basis of Selective Inhibition and Slow Reversibility of Avibactam against Class D Carbapenemases: A Structure-Guided Study of OXA-24 and OXA-48.
Acs Chem.Biol., 10, 2015
5EPH
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BU of 5eph by Molmil
Crystal structure of extended-spectrum beta-lactamase BEL-1 in complex with Imipenem
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Beta-lactamase, CHLORIDE ION, ...
著者Pozzi, C, Benvenuti, M, De Luca, F, Docquier, J.D, Mangani, S.
登録日2015-11-11
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal Structure of the Pseudomonas aeruginosa BEL-1 Extended-Spectrum beta-Lactamase and Its Complexes with Moxalactam and Imipenem.
Antimicrob.Agents Chemother., 60, 2016
4HBU
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BU of 4hbu by Molmil
Crystal structure of CTX-M-15 extended-spectrum beta-lactamase in complex with avibactam (NXL104)
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ...
著者Docquier, J.D, Benvenuti, M, Bruneau, J.M, Rossolini, G.M, Miossec, C, Black, M.T, Mangani, S.
登録日2012-09-28
公開日2013-04-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural insight into potent broad-spectrum inhibition with reversible recyclization mechanism: avibactam in complex with CTX-M-15 and Pseudomonas aeruginosa AmpC beta-lactamases
Antimicrob.Agents Chemother., 57, 2013
7PZF
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BU of 7pzf by Molmil
Crystal structure of the OmpK36 TD insertion chimera from Klebsiella pneumonia
分子名称: LITHIUM ION, OmpK36, TETRADECANE
著者Kwong, H, Beis, K.
登録日2021-10-12
公開日2022-07-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Widespread emergence of OmpK36 loop 3 insertions among multidrug-resistant clones of Klebsiella pneumoniae.
Plos Pathog., 18, 2022
7Q3T
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BU of 7q3t by Molmil
Crystal structure of the OmpK36 D insertion chimera from Klebsiella pneumonia
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LITHIUM ION, OmpK36
著者Kwong, H, Beis, K.
登録日2021-10-28
公開日2022-07-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.788 Å)
主引用文献Widespread emergence of OmpK36 loop 3 insertions among multidrug-resistant clones of Klebsiella pneumoniae.
Plos Pathog., 18, 2022
5EOO
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BU of 5eoo by Molmil
Crystal structure of extended-spectrum beta-lactamase BEL-1 (monoclinic form)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Beta-lactamase, CHLORIDE ION, ...
著者Pozzi, C, De Luca, F, Benvenuti, M, Docquier, J.D, Mangani, S.
登録日2015-11-10
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal Structure of the Pseudomonas aeruginosa BEL-1 Extended-Spectrum beta-Lactamase and Its Complexes with Moxalactam and Imipenem.
Antimicrob.Agents Chemother., 60, 2016

 

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