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5DTS
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BU of 5dts by Molmil
Fragments bound to the OXA-48 beta-lactamase: Compound 2
Descriptor: 3-(pyridin-3-yl)benzoic acid, Beta-lactamase, CHLORIDE ION
Authors:Lund, B.A, Christopeit, T, Leiros, H.-K.S.
Deposit date:2015-09-18
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.94015872 Å)
Cite:Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
2RL3
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BU of 2rl3 by Molmil
Crystal structure of the OXA-10 W154H mutant at pH 7
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase PSE-2, GLYCEROL, ...
Authors:Vercheval, L, Kerff, F, Herman, R, Sauvage, E, Guiet, R, Charlier, P, Frere, J.-M, Galleni, M.
Deposit date:2007-10-18
Release date:2008-10-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Critical role of tryptophan 154 for the activity and stability of class D beta-lactamases.
Biochemistry, 48, 2009
2WGI
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BU of 2wgi by Molmil
Crystal structure of the acyl-enzyme OXA-10 W154A-benzylpenicillin at pH 6
Descriptor: BETA-LACTAMASE OXA-10, GLYCEROL, OPEN FORM - PENICILLIN G
Authors:Vercheval, L, Falzone, C, Sauvage, E, Herman, R, Charlier, P, Galleni, M, Kerff, F.
Deposit date:2009-04-20
Release date:2009-11-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Critical Role of Tryptophan 154 for the Activity and Stability of Class D Beta-Lactamases.
Biochemistry, 48, 2009
2WGW
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BU of 2wgw by Molmil
Crystal structure of the OXA-10 V117T mutant at pH 8.0
Descriptor: BETA-LACTAMASE OXA-10, GLYCEROL, SULFATE ION
Authors:Vercheval, L, Kerff, F, Bauvois, C, Sauvage, E, Guiet, R, Charlier, P, Galleni, M.
Deposit date:2009-04-27
Release date:2010-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three Factors that Modulate the Activity of Class D Beta-Lactamases and Interfere with the Post-Translational Carboxylation of Lys70.
Biochem.J., 432, 2010
2UWX
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BU of 2uwx by Molmil
Active site restructuring regulates ligand recognition in class A penicillin-binding proteins
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, ...
Authors:Macheboeuf, P, DiGuilmi, A.M, Job, V, Vernet, T, Dideberg, O, Dessen, A.
Deposit date:2007-03-23
Release date:2007-04-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Active Site Restructuring Regulates Ligand Recognition in Class a Penicillin-Binding Proteins
Proc.Natl.Acad.Sci.USA, 102, 2005
2V2F
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BU of 2v2f by Molmil
Crystal structure of PBP1a from drug-resistant strain 5204 from Streptococcus pneumoniae
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BARIUM ION, PENICILLIN BINDING PROTEIN 1A
Authors:Job, V, Carapito, R, Vernet, T, Dideberg, O, Dessen, A, Zapun, A.
Deposit date:2007-06-05
Release date:2007-12-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Common Alterations in Pbp1A from Resistant Streptococcus Pneumoniae Decrease its Reactivity Toward {Beta}-Lactams: Structural Insights.
J.Biol.Chem., 283, 2008
2X01
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BU of 2x01 by Molmil
CRYSTAL STRUCTURE OF THE OXA-10 S67A MUTANT AT PH 7
Descriptor: BETA-LACTAMASE OXA-10, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Vercheval, L, Kerff, F, Bauvois, C, Sauvage, E, Guiet, R, Galleni, M, Charlier, P.
Deposit date:2009-12-04
Release date:2010-12-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Evidence of Chloride Inhibition and Impact of the Hydrophobic Core on the Lysine Carboxylated in Class D Beta-Lactamase
To be Published
2WGV
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BU of 2wgv by Molmil
Crystal structure of the OXA-10 V117T mutant at pH 6.5 inhibited by a chloride ion
Descriptor: BETA-LACTAMASE OXA-10, CHLORIDE ION, CITRIC ACID, ...
Authors:Vercheval, L, Kerff, F, Bauvois, C, Sauvage, E, Guiet, R, Charlier, P, Galleni, M.
Deposit date:2009-04-27
Release date:2010-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: BETA-LACTAMASE OXA-10, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Vercheval, L, Kerff, F, Sauvage, E, Herman, R, Galleni, M, Charlier, P.
Deposit date:2009-12-04
Release date:2010-12-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Impact of the Carboxylated Lysine on the Acylation and Deacylation Step in Class D Beta-Lactamase
To be Published
2WKH
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BU of 2wkh by Molmil
Crystal structure of the acyl-enzyme OXA-10 K70C-Ampicillin at pH 7
Descriptor: (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
Authors:Vercheval, L, Bauvois, C, Kerff, F, Sauvage, E, Guiet, R, Charlier, P, Galleni, M.
Deposit date:2009-06-11
Release date:2010-08-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:Three Factors that Modulate the Activity of Class D Beta-Lactamases and Interfere with the Post-Translational Carboxylation of Lys70.
Biochem.J., 432, 2010
2WKI
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BU of 2wki by Molmil
Crystal structure of the OXA-10 K70C mutant at pH 7.0
Descriptor: 1,2-ETHANEDIOL, BETA-LACTAMASE OXA-10, GLYCEROL, ...
Authors:Vercheval, L, Bauvois, C, Kerff, F, Sauvage, E, Guiet, R, Charlier, P, Galleni, M.
Deposit date:2009-06-11
Release date:2010-08-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Three Factors that Modulate the Activity of Class D Beta-Lactamases and Interfere with the Post-Translational Carboxylation of Lys70.
Biochem.J., 432, 2010
2XD5
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BU of 2xd5 by Molmil
Structural insights into the catalytic mechanism and the role of Streptococcus pneumoniae PBP1b
Descriptor: CHLORIDE ION, N-BENZOYL-D-ALANINE, PENICILLIN-BINDING PROTEIN 1B, ...
Authors:Macheboeuf, P, Lemaire, D, Jamin, M, Dideberg, O, Dessen, A.
Deposit date:2010-04-29
Release date:2010-05-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights Into the Catalytic Mechanism and the Role of Streptococcus Pneumoniae Pbp1B
To be Published
2Y2G
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BU of 2y2g by Molmil
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (A01)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, ...
Authors:Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A.
Deposit date:2010-12-15
Release date:2011-08-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
3PAE
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BU of 3pae by Molmil
Crystal structure of the K84D mutant of OXA-24/40 in complex with doripenem
Descriptor: (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, SULFATE ION
Authors:Powers, R.A, Leonard, D.A, Schneider, K.D.
Deposit date:2010-10-19
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of the Class D Carbapenemase OXA-24 from Acinetobacter baumannii in Complex with Doripenem.
J.Mol.Biol., 406, 2011
3PAG
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BU of 3pag by Molmil
Crystal structure of the V130D mutant of OXA-24/40 in complex with doripenem
Descriptor: (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, SULFATE ION
Authors:Powers, R.A, Leonard, D.A, Schneider, K.D.
Deposit date:2010-10-19
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structures of the Class D Carbapenemase OXA-24 from Acinetobacter baumannii in Complex with Doripenem.
J.Mol.Biol., 406, 2011
3Q81
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BU of 3q81 by Molmil
Imipenem acylated BlaR1 sensor domain from Staphylococcus aureus
Descriptor: (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 regulatory protein BlaR1, GLYCEROL
Authors:Borbulevych, O.Y, Mobashery, S, Baker, B.M.
Deposit date:2011-01-05
Release date:2011-07-20
Last modified:2013-01-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Lysine Nzeta-decarboxylation switch and activation of the beta-lactam sensor domain of BlaR1 protein of methicillin-resistant Staphylococcus aureus.
J.Biol.Chem., 286, 2011
3Q7V
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BU of 3q7v by Molmil
Beta-Lactam-Sensor Domain of BlaR1 (Apo) from Staphylococcus Aureus with Carboxylated Lys392
Descriptor: Beta-lactamase regulatory protein BlaR1, GLYCEROL, SULFATE ION
Authors:Borbulevych, O.Y, Mobashery, S, Baker, B.M.
Deposit date:2011-01-05
Release date:2011-06-29
Last modified:2013-01-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Lysine Nzeta-decarboxylation switch and activation of the beta-lactam sensor domain of BlaR1 protein of methicillin-resistant Staphylococcus aureus.
J.Biol.Chem., 286, 2011
3Q82
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BU of 3q82 by Molmil
Meropenem acylated BlaR1 sensor domain from Staphylococcus aureus
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-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase regulatory protein BlaR1, GLYCEROL
Authors:Borbulevych, O.Y, Mobashery, S, Baker, B.M.
Deposit date:2011-01-05
Release date:2011-07-20
Last modified:2013-01-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Lysine Nzeta-decarboxylation switch and activation of the beta-lactam sensor domain of BlaR1 protein of methicillin-resistant Staphylococcus aureus.
J.Biol.Chem., 286, 2011
3QNB
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BU of 3qnb by Molmil
Crystal Structure of an Engineered OXA-10 Variant with Carbapenemase Activity, OXA-10loop24
Descriptor: 1,2-ETHANEDIOL, Oxacillinase, SULFATE ION
Authors:De Luca, F, Benvenuti, M, Carboni, F, Pozzi, C, Rossolini, G.M, Mangani, S, Docquier, J.D.
Deposit date:2011-02-08
Release date:2011-11-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Evolution to carbapenem-hydrolyzing activity in noncarbapenemase class D {beta}-lactamase OXA-10 by rational protein design.
Proc.Natl.Acad.Sci.USA, 108, 2011
3Q7Z
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BU of 3q7z by Molmil
CBAP-acylated BlaR1 sensor domain from Staphylococcus aureus
Descriptor: (2R,4S)-2-[(1R)-1-{[(2'-carboxybiphenyl-2-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase regulatory protein BlaR1
Authors:Borbulevych, O.Y, Mobashery, S, Baker, B.M.
Deposit date:2011-01-05
Release date:2011-07-06
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Lysine Nzeta-decarboxylation switch and activation of the beta-lactam sensor domain of BlaR1 protein of methicillin-resistant Staphylococcus aureus.
J.Biol.Chem., 286, 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
Descriptor: 1,2-ETHANEDIOL, CARBON DIOXIDE, Oxacillinase, ...
Authors:De Luca, F, Benvenuti, M, Carboni, F, Pozzi, C, Rossolini, G.M, Mangani, S, Docquier, J.D.
Deposit date:2011-02-08
Release date:2011-11-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Evolution to carbapenem-hydrolyzing activity in noncarbapenemase class D {beta}-lactamase OXA-10 by rational protein design.
Proc.Natl.Acad.Sci.USA, 108, 2011
7K5V
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BU of 7k5v by Molmil
OXA-48 bound by Compound 3.1
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
Authors:Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T.
Deposit date:2020-09-17
Release date:2021-12-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
7KHY
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BU of 7khy by Molmil
Crystal structure of OXA-163 K73A in complex with meropenem
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, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ...
Authors:Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V.
Deposit date:2020-10-22
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems.
Acs Infect Dis., 7, 2021
7KH9
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BU of 7kh9 by Molmil
Crystal structure of OXA-48 K73A in complex with imipenem
Descriptor: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase, CHLORIDE ION
Authors:Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V.
Deposit date:2020-10-20
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems.
Acs Infect Dis., 7, 2021
7KHZ
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BU of 7khz by Molmil
Crystal structure of OXA-163 K73A in complex with imipenem
Descriptor: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase, CHLORIDE ION, ...
Authors:Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V.
Deposit date:2020-10-22
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems.
Acs Infect Dis., 7, 2021

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数据于2024-10-09公开中

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