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4GDN
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BU of 4gdn by Molmil
Structure of FmtA-like protein
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Protein flp
Authors:Cougnoux, A, Gibold, L, Delmas, J, Robin, F, Dalmasso, G, Bonnet, R.
Deposit date:2012-08-01
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Analysis of Structure-Function Relationships in the Colibactin-Maturating Enzyme ClbP.
J.Mol.Biol., 424, 2012
4E3M
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BU of 4e3m by Molmil
Crystal structure of AmpC beta-lactamase in complex with a 2-chloro-4-tetrazolyl benzene sulfonamide boronic acid inhibitor
Descriptor: Beta-lactamase, PHOSPHATE ION, [({[2-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
Authors:Eidam, O, Shoichet, B.K.
Deposit date:2012-03-09
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E3J
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BU of 4e3j by Molmil
Crystal structure of AmpC beta-lactamase in complex with a designed 4-tetrazolyl benzene sulfonamide boronic acid inhibitor
Descriptor: Beta-lactamase, PHOSPHATE ION, [({[4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
Authors:Eidam, O, Shoichet, B.K.
Deposit date:2012-03-09
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7999 Å)
Cite:Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E3O
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BU of 4e3o by Molmil
Crystal structure of AmpC beta-lactamase in complex with a small chloromethyl sulfonamide boronic acid inhibitor
Descriptor: ({[(chloromethyl)sulfonyl]amino}methyl)boronic acid, Beta-lactamase, PHOSPHATE ION
Authors:Eidam, O, Shoichet, B.K.
Deposit date:2012-03-09
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
4GB7
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BU of 4gb7 by Molmil
Putative 6-aminohexanoate-dimer hydrolase from Bacillus anthracis
Descriptor: 1,2-ETHANEDIOL, 6-aminohexanoate-dimer hydrolase, NITRATE ION
Authors:Osipiuk, J, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-07-26
Release date:2012-08-08
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Putative 6-aminohexanoate-dimer hydrolase from Bacillus anthracis.
To be Published
4E6W
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BU of 4e6w by Molmil
ClbP in complex with 3-aminophenyl boronic acid
Descriptor: ClbP peptidase, M-AMINOPHENYLBORONIC ACID, PHOSPHATE ION
Authors:Cougnoux, A, Delmas, J, Bonnet, R.
Deposit date:2012-03-16
Release date:2013-03-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The NRP peptidase ClbP as a target for the inhibition of genotoxicity, cell proliferation and tumorogenesis mediated by pks-harboring bacteria
To be Published
4GZB
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BU of 4gzb by Molmil
Crystal structure of native AmpC beta-lactamase from Pseudomonas aeruginosa PAO1
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase
Authors:Benvenuti, M, De Luca, F, Docquier, J.D, Mangani, S.
Deposit date:2012-09-06
Release date:2013-04-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.79 Å)
Cite: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
4HEF
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BU of 4hef by Molmil
Structure of avibactam bound to Pseudomonas aeruginosa AmpC
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, GLYCEROL
Authors:Lahiri, S.D.
Deposit date:2012-10-03
Release date:2013-06-05
Last modified:2020-09-16
Method:X-RAY DIFFRACTION (1.86 Å)
Cite: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
4E3L
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BU of 4e3l by Molmil
Crystal structure of AmpC beta-lactamase in complex with a 3-chloro-4-tetrazolyl benzene sulfonamide boronic acid inhibitor
Descriptor: Beta-lactamase, PHOSPHATE ION, [({[3-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
Authors:Eidam, O, Shoichet, B.K.
Deposit date:2012-03-09
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E3I
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BU of 4e3i by Molmil
Crystal structure of AmpC beta-lactamase in complex with a designed 3-carboxyl benzyl sulfonamide boronic acid inhibitor
Descriptor: 3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, PHOSPHATE ION
Authors:Eidam, O, Shoichet, B.K.
Deposit date:2012-03-09
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E3K
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BU of 4e3k by Molmil
Crystal structure of AmpC beta-lactamase in complex with a designed 4-tetrazolyl pyridine sulfonamide boronic acid inhibitor
Descriptor: Beta-lactamase, PHOSPHATE ION, [({[6-(1H-tetrazol-5-yl)pyridin-3-yl]sulfonyl}amino)methyl]boronic acid
Authors:Eidam, O, Shoichet, B.K.
Deposit date:2012-03-09
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4299 Å)
Cite:Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E3N
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BU of 4e3n by Molmil
Crystal structure of AmpC beta-lactamase in complex with a 2-trifluoromethyl-4-tetrazolyl benzene sulfonamide boronic acid inhibitor
Descriptor: Beta-lactamase, PHOSPHATE ION, [({[4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid
Authors:Eidam, O, Shoichet, B.K.
Deposit date:2012-03-09
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
3E2K
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BU of 3e2k by Molmil
Crystal Structure of the KPC-2 Beta-lactamase/Beta-lactamase inhibitor protein (BLIP)
Descriptor: Beta-lactamase inhibitory protein, Carbapenemase
Authors:Hanes, M.S, Jude, K.M, Berger, J.M, Bonomo, R.A, Handel, T.M.
Deposit date:2008-08-05
Release date:2009-08-04
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and biochemical characterization of the interaction between KPC-2 beta-lactamase and beta-lactamase inhibitor protein
Biochemistry, 48, 2009
5LL7
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BU of 5ll7 by Molmil
Crystal structure of KPC-2 carbapenemase in complex with a phenyl boronic inhibitor.
Descriptor: (~{E})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid, 1,2-ETHANEDIOL, Beta-lactamase
Authors:Vicario, M, Celenza, G, Bellio, P, Perilli, M.G, Tondi, D, Cendron, L.
Deposit date:2016-07-26
Release date:2018-02-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Phenylboronic Acid Derivatives as Validated Leads Active in Clinical Strains Overexpressing KPC-2: A Step against Bacterial Resistance.
Chemmedchem, 13, 2018
4D2O
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BU of 4d2o by Molmil
Crystal structure of the class A extended-spectrum beta-lactamase PER- 2
Descriptor: PER-2 BETA-LACTAMASE
Authors:Power, P, Herman, R, Ruggiero, M, Kerff, F, Galleni, M, Gutkind, G, Charlier, P, Sauvage, E.
Deposit date:2014-05-12
Release date:2014-05-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the Extended-Spectrum Beta-Lactamase Per- 2 and Insights Into the Role of Specific Residues in the Interaction with Beta-Lactams and Beta-Lactamase Inhibitors.
Antimicrob.Agents Chemother., 58, 2014
5OYO
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BU of 5oyo by Molmil
Crystal structure of BlaC from Mycobacterium tuberculosis
Descriptor: ACETATE ION, Beta-lactamase, GLYCEROL, ...
Authors:Tassoni, R, Pannu, N.S.
Deposit date:2017-09-11
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Phosphate Promotes the Recovery of Mycobacterium tuberculosis beta-Lactamase from Clavulanic Acid Inhibition.
Biochemistry, 56, 2017
6Z23
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BU of 6z23 by Molmil
Acylenzyme complex of cefotaxime bound to deacylation mutant KPC-2 (E166Q)
Descriptor: CEFOTAXIME, C3' cleaved, open, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2020-05-14
Release date:2020-12-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Natural variants modify Klebsiella pneumoniae carbapenemase (KPC) acyl-enzyme conformational dynamics to extend antibiotic resistance.
J.Biol.Chem., 296, 2020
6Z24
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BU of 6z24 by Molmil
Acylenzyme complex of ceftazidime bound to deacylation mutant KPC-2 (E166Q)
Descriptor: ACYLATED CEFTAZIDIME, Carbapenem-hydrolyzing beta-lactamase KPC, SULFATE ION
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2020-05-14
Release date:2020-12-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Natural variants modify Klebsiella pneumoniae carbapenemase (KPC) acyl-enzyme conformational dynamics to extend antibiotic resistance.
J.Biol.Chem., 296, 2020
9BZQ
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BU of 9bzq by Molmil
Structure of Class A Beta-lactamase from Bordetella bronchiseptica RB50 in a complex with Avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, FORMIC ACID, ...
Authors:Maltseva, N, Kim, Y, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2024-05-24
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structure of Class A Beta-lactamase from Bordetella bronchiseptica RB50 in a complex with Avibactam
To Be Published
9BZN
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BU of 9bzn by Molmil
High resolution structure of class A Beta-lactamase from Bordetella bronchiseptica RB50
Descriptor: FORMIC ACID, SULFATE ION, class A Beta-lactamase, ...
Authors:Maltseva, N, Kim, Y, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2024-05-24
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:High resolution structure of class A Beta-lactamase from Bordetella bronchiseptica RB50
To Be Published
9BZR
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BU of 9bzr by Molmil
Structure of Class A Beta-lactamase from Bordetella bronchiseptica RB50 in a complex with clavulonate
Descriptor: CHLORIDE ION, MALONIC ACID, N-(2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-TRANSPROPENYL)AMINE, ...
Authors:Maltseva, N, Kim, Y, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2024-05-24
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of Class A Beta-lactamase from Bordetella bronchiseptica RB50 in a complex with clavulonate
To Be Published
5VPQ
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BU of 5vpq by Molmil
Crystal structure of beta-lactamase from Burkholderia phymatum
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, PHOSPHATE ION
Authors:SSGCID, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-05-05
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of beta-lactamase from Burkholderia phymatum
to be published
6NJ1
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BU of 6nj1 by Molmil
Crystal structure of class A beta-lactamase from Clostridium kluyveri DSM 555
Descriptor: Beta-lactamase, CHLORIDE ION
Authors:Michalska, K, Welk, L, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-01-02
Release date:2019-01-16
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Crystal structure of class A beta-lactamase from Clostridium kluyveri DSM 555
To Be Published
6NIQ
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BU of 6niq by Molmil
Crystal Structure of the Putative Class A Beta-Lactamase PenP from Rhodopseudomonas palustris
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
Authors:Kim, Y, Tesar, C, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-12-31
Release date:2019-01-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.353 Å)
Cite:Crystal Structure of the Putative Class A Beta-Lactamase PenP from Rhodopseudomonas palustris
To Be Published
7TB7
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BU of 7tb7 by Molmil
Crystal structure of D179N KPC-2 beta-lactamase
Descriptor: CITRIC ACID, Carbapenem-hydrolyzing beta-lactamase KPC
Authors:van den Akker, F, Alsenani, T.
Deposit date:2021-12-21
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Structural Characterization of the D179N and D179Y Variants of KPC-2 beta-Lactamase: Omega-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam.
Antimicrob.Agents Chemother., 66, 2022

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