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4NK3
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Amp-c beta-lactamase (pseudomonas aeruginosa) in complex with mk-7655
分子名称: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者Scapin, G, Lu, J, Fitzgerald, P.M.D, Sharma, N.
登録日2013-11-12
公開日2014-02-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of MK-7655, a beta-lactamase inhibitor for combination with Primaxin().
Bioorg.Med.Chem.Lett., 24, 2014
4WBG
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Crystal structure of class C beta-lactamase Mox-1 covalently complexed with aztorenam
分子名称: 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, ACETATE ION, Beta-lactamase, ...
著者Oguri, T, Shimizu-ibuka, A, Ishii, Y.
登録日2014-09-03
公開日2015-07-01
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Conformational Change Observed in the Active Site of Class C beta-Lactamase MOX-1 upon Binding to Aztreonam
Antimicrob.Agents Chemother., 59, 2015
6X9Y
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The crystal structure of a Beta-lactamase from Escherichia coli CFT073
分子名称: Beta-lactamase, GLYCEROL, S,R MESO-TARTARIC ACID, ...
著者Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-06-03
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of a Beta-lactamase from Escherichia coli CFT073
To Be Published
6XG1
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Class C beta-lactamase from Escherichia coli
分子名称: 1,2-ETHANEDIOL, Beta-lactamase
著者Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-06-16
公開日2020-06-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Class C beta-lactamase from Escherichia coli
To Be Published
6XFS
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Class C beta-lactamase from Escherichia coli in complex with Tazobactam
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, DI(HYDROXYETHYL)ETHER, ...
著者Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-06-16
公開日2020-07-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Class C beta-lactamase from Escherichia coli in complex with Tazobactam
To Be Published
4X68
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Crystal Structure of OP0595 complexed with AmpC
分子名称: (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, NICKEL (II) ION
著者Yamada, M, Watanabe, T.
登録日2014-12-07
公開日2015-07-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献OP0595, a new diazabicyclooctane: mode of action as a serine beta-lactamase inhibitor, antibiotic and beta-lactam 'enhancer'
J.Antimicrob.Chemother., 70, 2015
4WZ4
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Crystal structure of P. aeruginosa AmpC
分子名称: Beta-lactamase, GLYCEROL, {(3R)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid
著者Ferguson, A.D.
登録日2014-11-18
公開日2015-08-05
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献4,5-Disubstituted 6-Aryloxy-1,3-dihydrobenzo[c][1,2]oxaboroles Are Broad-Spectrum Serine beta-Lactamase Inhibitors.
ACS Infect Dis, 1, 2015
4WYY
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Crystal Structure of P. aeruginosa AmpC
分子名称: Beta-lactamase, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Ferguson, A.D.
登録日2014-11-18
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献4,5-Disubstituted 6-Aryloxy-1,3-dihydrobenzo[c][1,2]oxaboroles Are Broad-Spectrum Serine beta-Lactamase Inhibitors.
ACS Infect Dis, 1, 2015
4U0X
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Structure of ADC-7 beta-lactamase in complex with boronic acid inhibitor S02030
分子名称: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, ADC-7 beta-lactamase, PHOSPHATE ION
著者Powers, R.A, Wallar, B.J, Swanson, H.C.
登録日2014-07-14
公開日2014-11-19
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Biochemical and Structural Analysis of Inhibitors Targeting the ADC-7 Cephalosporinase of Acinetobacter baumannii.
Biochemistry, 53, 2014
4U0T
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Crystal structure of ADC-7 beta-lactamase
分子名称: ADC-7 beta-lactamase, PHOSPHATE ION
著者Powers, R.A, Wallar, B.J.
登録日2014-07-14
公開日2014-11-19
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Biochemical and Structural Analysis of Inhibitors Targeting the ADC-7 Cephalosporinase of Acinetobacter baumannii.
Biochemistry, 53, 2014
6YEN
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Crystal structure of AmpC from E. coli with Taniborbactam (VNRX-5133)
分子名称: (10aR)-2-(((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10H-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide, (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, 1,2-ETHANEDIOL, ...
著者Lang, P.A, Brem, J, Schofield, C.J.
登録日2020-03-25
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.418 Å)
主引用文献Bicyclic Boronates as Potent Inhibitors of AmpC, the Class C beta-Lactamase from Escherichia coli .
Biomolecules, 10, 2020
6YEO
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Crystal structure of AmpC from E. coli with cyclic boronate 2
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Lang, P.A, Schofield, C.J, Brem, J.
登録日2020-03-25
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.037 Å)
主引用文献Bicyclic Boronates as Potent Inhibitors of AmpC, the Class C beta-Lactamase from Escherichia coli .
Biomolecules, 10, 2020
6YPD
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Crystal structure of AmpC from E. coli with Cyclic Boronate 3 (CB3 / APC308)
分子名称: (3~{S})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ...
著者Lang, P.A, Brem, J, Schofield, C.J.
登録日2020-04-15
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Bicyclic Boronates as Potent Inhibitors of AmpC, the Class C beta-Lactamase from Escherichia coli .
Biomolecules, 10, 2020
5LWF
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Structure of a single domain camelid antibody fragment cAb-G10S in complex with the BlaP beta-lactamase from Bacillus licheniformis
分子名称: ACETATE ION, Beta-lactamase, Camelid heavy-chain antibody variable fragment cAb-G10S
著者Vettore, N, Kerff, F, Pain, C, Herman, R, Sauvage, E, Preumont, S, Charlier, P, Dumoulin, M.
登録日2016-09-16
公開日2017-11-15
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Probing the mechanism of aggregation of polyQ model proteins with camelid heavy-chain antibody fragments
To Be Published
2HDQ
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AmpC beta-lactamase in complex with 2-carboxythiophene
分子名称: Beta-lactamase, THIOPHENE-2-CARBOXYLIC ACID
著者Babaoglu, K, Shoichet, B.K.
登録日2006-06-20
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Deconstructing fragment-based inhibitor discovery
Nat.Chem.Biol., 2, 2006
2P9V
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Structure of AmpC beta-lactamase with cross-linked active site after exposure to small molecule inhibitor
分子名称: Beta-lactamase, PHOSPHATE ION
著者Babaoglu, K, Wyrembak, P.N, Pelto, R.B, Shoichet, B.K, Pratt, R.F.
登録日2007-03-26
公開日2007-08-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献O-Aryloxycarbonyl Hydroxamates: New beta-Lactamase Inhibitors That Cross-Link the Active Site.
J.Am.Chem.Soc., 129, 2007
2I72
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AmpC beta-lactamase in complex with 5-diformylaminomethyl-benzo[b]thiophen-2-boronic acid
分子名称: Beta-lactamase, {5-[(DIFORMYLAMINO)METHYL]-1-BENZOTHIEN-2-YL}BORONIC ACID
著者Venturelli, A, Cancian, L, Tondi, D, Morandi, F, Cannazza, G, Segatore, B, Prati, F, Amicosante, G, Shoichet, B.K, Costi, M.P.
登録日2006-08-30
公開日2007-09-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Optimizing Cell Permeation of an Antibiotic Resistance Inhibitor for Improved Efficacy
J.Med.Chem., 50, 2007
2PU4
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AmpC beta-lacamase with bound covalent oxadiazole inhibitor
分子名称: Beta-lactamase, DIMETHYL SULFOXIDE, SULFATE ION, ...
著者Babaoglu, K, Shoichet, B.K.
登録日2007-05-08
公開日2008-04-15
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase.
J.Med.Chem., 51, 2008
2HDS
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BU of 2hds by Molmil
AmpC beta-lactamase in complex with 4-Methanesulfonylamino benzoic acid
分子名称: 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID, Beta-lactamase, PHOSPHATE ION, ...
著者Babaoglu, K, Shoichet, B.K.
登録日2006-06-20
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Deconstructing fragment-based inhibitor discovery
Nat.Chem.Biol., 2, 2006
2HDU
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AmpC beta-lactamase in complex with 2-acetamidothiophene-3-carboxylic acid
分子名称: 2-(ACETYLAMINO)THIOPHENE-3-CARBOXYLIC ACID, Beta-lactamase, PHOSPHATE ION, ...
著者Babaoglu, K, Shoichet, B.K.
登録日2006-06-20
公開日2006-11-07
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Deconstructing fragment-based inhibitor discovery
Nat.Chem.Biol., 2, 2006
2PU2
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AmpC beta-lactamase with bound Phthalamide inhibitor
分子名称: 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID, Beta-lactamase, PHOSPHATE ION
著者Babaoglu, K, Shoichet, B.K.
登録日2007-05-08
公開日2008-04-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase.
J.Med.Chem., 51, 2008
2HDR
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AmpC beta-lactamase in complex with 4-Amino-3-hydroxybenzoic acid
分子名称: 4-AMINO-3-HYDROXYBENZOIC ACID, Beta-lactamase, PHOSPHATE ION
著者Babaoglu, K, Shoichet, B.K.
登録日2006-06-20
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Deconstructing fragment-based inhibitor discovery
Nat.Chem.Biol., 2, 2006
2Q9M
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4-Substituted Trinems as Broad Spectrum-Lactamase Inhibitors: Structure-based Design, Synthesis and Biological Activity
分子名称: (1R,4S,7AS)-1-(1-FORMYLPROP-1-EN-1-YL)-4-METHOXY-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID, Beta-lactamase
著者Plantan, I, Selic, L, Mesar, T, Stefanic Anderluh, P, Oblak, M, Prezelj, A, Hesse, L, Andrejasic, M, Vilar, M, Turk, D, Kocijan, A, Prevec, T, Vilfan, G, Kocjan, D, Copar, A, Urleb, U, Solmajer, T.
登録日2007-06-13
公開日2007-08-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献4-Substituted Trinems as Broad Spectrum beta-Lactamase Inhibitors: Structure-Based Design, Synthesis, and Biological Activity
J.Med.Chem., 50, 2007
2Q9N
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4-Substituted Trinems as Broad Spectrum-Lactamase Inhibitors: Structure-based Design, Synthesis and Biological Activity
分子名称: (1S,4R,7AR)-4-BUTOXY-1-[(1R)-1-FORMYLPROPYL]-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID, Beta-lactamase
著者Plantan, I, Selic, L, Mesar, T, Stefanic Anderluh, P, Oblak, M, Prezelj, A, Hesse, L, Andrejasic, M, Vilar, M, Turk, D, Kocijan, A, Prevec, T, Vilfan, G, Kocjan, D, Copar, A, Urleb, U, Solmajer, T.
登録日2007-06-13
公開日2007-08-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献4-Substituted Trinems as Broad Spectrum beta-Lactamase Inhibitors: Structure-Based Design, Synthesis, and Biological Activity
J.Med.Chem., 50, 2007
2QZ6
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First crystal structure of a psychrophile class C beta-lactamase
分子名称: Beta-lactamase
著者Michaux, C, Massant, J, Kerff, F, Charlier, P, Wouters, J.
登録日2007-08-16
公開日2008-03-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystal structure of a cold-adapted class C beta-lactamase
Febs J., 275, 2008

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