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3O87
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BU of 3o87 by Molmil
Crystal structure of AmpC beta-lactamase in complex with a sulfonamide boronic acid inhibitor
Descriptor: 4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, PHOSPHATE ION
Authors:Eidam, O, Romagnoli, C, Karpiak, J, Shoichet, B.K.
Deposit date:2010-08-02
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Design, Synthesis, Crystal Structures, and Antimicrobial Activity of Sulfonamide Boronic Acids as beta-Lactamase Inhibitors
J.Med.Chem., 53, 2010
3O86
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BU of 3o86 by Molmil
Crystal structure of AmpC beta-lactamase in complex with a sulfonamide boronic acid inhibitor
Descriptor: Beta-lactamase, PHOSPHATE ION, {[(benzylsulfonyl)amino]methyl}boronic acid
Authors:Eidam, O, Romagnoli, C, Karpiak, J, Shoichet, B.K.
Deposit date:2010-08-02
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design, Synthesis, Crystal Structures, and Antimicrobial Activity of Sulfonamide Boronic Acids as beta-Lactamase Inhibitors
J.Med.Chem., 53, 2010
3O88
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BU of 3o88 by Molmil
Crystal structure of AmpC beta-lactamase in complex with a sulfonamide boronic acid inhibitor
Descriptor: 3-[(2R)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid, Beta-lactamase, PHOSPHATE ION
Authors:Eidam, O, Romagnoli, C, Karpiak, J, Shoichet, B.K.
Deposit date:2010-08-02
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Design, Synthesis, Crystal Structures, and Antimicrobial Activity of Sulfonamide Boronic Acids as beta-Lactamase Inhibitors
J.Med.Chem., 53, 2010
4FCF
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BU of 4fcf by Molmil
K234R: apo structure of inhibitor resistant beta-lactamase
Descriptor: 2-AMINOETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:Rodkey, E.A, van den Akker, F.
Deposit date:2012-05-24
Release date:2012-12-26
Last modified:2013-10-02
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Design and exploration of novel boronic acid inhibitors reveals important interactions with a clavulanic acid-resistant sulfhydryl-variable (SHV) beta-lactamase.
J.Med.Chem., 56, 2013
4X6T
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BU of 4x6t by Molmil
M.tuberculosis betalactamase complexed with inhibitor EC19
Descriptor: 3-[(2R)-2-(dihydroxyboranyl)-2-{[(2R)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}ethyl]benzoic acid, Beta-lactamase, PHOSPHATE ION
Authors:Hazra, S.
Deposit date:2014-12-09
Release date:2015-12-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Inhibiting the beta-Lactamase of Mycobacterium tuberculosis (Mtb) with Novel Boronic Acid Transition-State Inhibitors (BATSIs).
ACS Infect Dis, 1, 2015
4U0X
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BU of 4u0x by Molmil
Structure of ADC-7 beta-lactamase in complex with boronic acid inhibitor S02030
Descriptor: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, ADC-7 beta-lactamase, PHOSPHATE ION
Authors:Powers, R.A, Wallar, B.J, Swanson, H.C.
Deposit date:2014-07-14
Release date:2014-11-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Biochemical and Structural Analysis of Inhibitors Targeting the ADC-7 Cephalosporinase of Acinetobacter baumannii.
Biochemistry, 53, 2014
4U0T
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BU of 4u0t by Molmil
Crystal structure of ADC-7 beta-lactamase
Descriptor: ADC-7 beta-lactamase, PHOSPHATE ION
Authors:Powers, R.A, Wallar, B.J.
Deposit date:2014-07-14
Release date:2014-11-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Biochemical and Structural Analysis of Inhibitors Targeting the ADC-7 Cephalosporinase of Acinetobacter baumannii.
Biochemistry, 53, 2014
5EE8
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BU of 5ee8 by Molmil
Crystal structure of S02030 boronic acid inhibitor complexed to SHV-1 beta-lactamase
Descriptor: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:Krishnan, N, van den Akker, F.
Deposit date:2015-10-22
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal Structures of KPC-2 and SHV-1 beta-Lactamases in Complex with the Boronic Acid Transition State Analog S02030.
Antimicrob.Agents Chemother., 60, 2016
5EEC
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BU of 5eec by Molmil
Crystal structure of KPC-2 beta-lactamase in complex with the S02030 boronic acid inhibitor
Descriptor: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, SULFATE ION
Authors:Nguyen, N.Q, van den Akker, F.
Deposit date:2015-10-22
Release date:2016-02-03
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal Structures of KPC-2 and SHV-1 beta-Lactamases in Complex with the Boronic Acid Transition State Analog S02030.
Antimicrob.Agents Chemother., 60, 2016
5W14
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BU of 5w14 by Molmil
ADC-7 in complex with boronic acid transition state inhibitor S03043
Descriptor: 3-{1-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1H-1,2,3-triazol-4-yl}benzoic acid, Beta-lactamase
Authors:Smolen, K.A, Powers, R.A, Wallar, B.J.
Deposit date:2017-06-01
Release date:2017-11-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Inhibition of Acinetobacter-Derived Cephalosporinase: Exploring the Carboxylate Recognition Site Using Novel beta-Lactamase Inhibitors.
ACS Infect Dis, 4, 2018
5WAE
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BU of 5wae by Molmil
ADC-7 in complex with boronic acid transition state inhibitor CR167
Descriptor: 3-(5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl)benzoic acid, Beta-lactamase
Authors:Powers, R.A, Wallar, B.J.
Deposit date:2017-06-26
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.804 Å)
Cite:Structure-Based Analysis of Boronic Acids as Inhibitors of Acinetobacter-Derived Cephalosporinase-7, a Unique Class C beta-Lactamase.
ACS Infect Dis, 4, 2018
5WAD
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BU of 5wad by Molmil
ADC-7 in complex with boronic acid transition state inhibitor CR161
Descriptor: Beta-lactamase, PHOSPHATE ION, phosphonooxy-[[[6-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid
Authors:Powers, R.A, Wallar, B.J.
Deposit date:2017-06-26
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure-Based Analysis of Boronic Acids as Inhibitors of Acinetobacter-Derived Cephalosporinase-7, a Unique Class C beta-Lactamase.
ACS Infect Dis, 4, 2018
5W12
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BU of 5w12 by Molmil
ADC-7 in complex with boronic acid transition state inhibitor EC04
Descriptor: 3-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]benzoic acid, Beta-lactamase
Authors:Smolen, K.A, Powers, R.A, Wallar, B.J.
Deposit date:2017-06-01
Release date:2017-11-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Inhibition of Acinetobacter-Derived Cephalosporinase: Exploring the Carboxylate Recognition Site Using Novel beta-Lactamase Inhibitors.
ACS Infect Dis, 4, 2018
5W13
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BU of 5w13 by Molmil
ADC-7 in complex with boronic acid transition state inhibitor SM23
Descriptor: (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase
Authors:Smolen, K.A, Powers, R.A, Wallar, B.J.
Deposit date:2017-06-01
Release date:2017-11-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Inhibition of Acinetobacter-Derived Cephalosporinase: Exploring the Carboxylate Recognition Site Using Novel beta-Lactamase Inhibitors.
ACS Infect Dis, 4, 2018
5WAF
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BU of 5waf by Molmil
ADC-7 in complex with boronic acid transition state inhibitor CR192
Descriptor: Beta-lactamase, phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]borinic acid
Authors:Powers, R.A, Wallar, B.J.
Deposit date:2017-06-26
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structure-Based Analysis of Boronic Acids as Inhibitors of Acinetobacter-Derived Cephalosporinase-7, a Unique Class C beta-Lactamase.
ACS Infect Dis, 4, 2018
5WAC
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BU of 5wac by Molmil
ADC-7 in complex with boronic acid transition state inhibitor CR157
Descriptor: Beta-lactamase, phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]sulfonylamino]methyl]borinic acid
Authors:Powers, R.A, Wallar, B.J.
Deposit date:2017-06-26
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.061 Å)
Cite:Structure-Based Analysis of Boronic Acids as Inhibitors of Acinetobacter-Derived Cephalosporinase-7, a Unique Class C beta-Lactamase.
ACS Infect Dis, 4, 2018
5WAG
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BU of 5wag by Molmil
ADC-7 in complex with boronic acid transition state inhibitor S06017
Descriptor: 1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, SUCCINIC ACID
Authors:Powers, R.A, Wallar, B.J.
Deposit date:2017-06-26
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.931 Å)
Cite:Structure-Based Analysis of Boronic Acids as Inhibitors of Acinetobacter-Derived Cephalosporinase-7, a Unique Class C beta-Lactamase.
ACS Infect Dis, 4, 2018
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
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
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
4E6X
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ClbP in complex boron-based inhibitor
Descriptor: ({[(chloromethyl)sulfonyl]amino}methyl)boronic acid, ClbP peptidase, 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 (2.24 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
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

 

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