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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
2OV5
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Crystal structure of the KPC-2 carbapenemase
分子名称: BICINE, Carbapenemase
著者Ke, W, Bethel, C.R, Thomson, J.M, Bonomo, R.A, van den Akker, F.
登録日2007-02-13
公開日2007-05-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of KPC-2: Insights into Carbapenemase Activity in Class A beta-Lactamases.
Biochemistry, 46, 2007
2P74
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CTX-M-9 class A beta-lactamase apo crystal structure at 0.88 Angstrom resolution
分子名称: Beta-lactamase CTX-M-9a, PHOSPHATE ION, POTASSIUM ION
著者Chen, Y, Bonnet, R, Shoichet, B.K.
登録日2007-03-19
公開日2007-04-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.88 Å)
主引用文献The Acylation Mechanism of CTX-M beta-Lactamase at 0.88 A Resolution.
J.Am.Chem.Soc., 129, 2007
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
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
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
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
2QMI
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Structure of the octameric penicillin-binding protein homologue from Pyrococcus abyssi
分子名称: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, LUTETIUM (III) ION, Pbp related beta-lactamase
著者Delfosse, V, Girard, E, Moulinier, L, Schultz, P, Mayer, C.
登録日2007-07-16
公開日2008-07-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the archaeal pab87 peptidase reveals a novel self-compartmentalizing protease family
Plos One, 4, 2009
2QPN
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GES-1 beta-lactamase
分子名称: Beta-lactamase GES-1, SULFATE ION
著者Smith, C.A, Caccamo, M, Kantardjieff, K.A, Vakulenko, S.
登録日2007-07-24
公開日2008-08-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structure of GES-1 at atomic resolution: insights into the evolution of carbapenamase activity in the class A extended-spectrum beta-lactamases.
Acta Crystallogr.,Sect.D, 63, 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
2R9W
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AmpC beta-lactamase with bound Phthalamide inhibitor
分子名称: 2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Babaoglu, K, Shoichet, B.K.
登録日2007-09-13
公開日2008-04-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 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
2R9X
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AmpC beta-lactamase with bound Phthalamide inhibitor
分子名称: 2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ...
著者Babaoglu, K, Shoichet, B.K.
登録日2007-09-13
公開日2008-04-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 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
2RCX
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AmpC Beta-lactamase in complex with (1R)-1-(2-Thiophen-2-yl-acetylamino)-1-(3-(2-carboxyvinyl)-phenyl) methylboronic acid
分子名称: (1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION
著者Morandi, F, Morandi, S, Prati, F, Shoichet, B.K.
登録日2007-09-20
公開日2007-11-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based optimization of cephalothin-analogue boronic acids as beta-lactamase inhibitors
Bioorg.Med.Chem., 16, 2008
2V1Z
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Structure of a TEM-1 beta-lactamase insertant allosterically regulated by kanamycin and anions.
分子名称: BETA-LACTAMASE TEM, ZINC ION
著者Evrard, C, Barrios, H, Mathonet, P, Soumillion, P, Fastrez, J, Declercq, J.P.
登録日2007-05-31
公開日2008-06-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Engineering an Allosteric Binding Site for Aminoglycosides Into Tem1-Beta-Lactamase.
Chembiochem, 12, 2011
2V20
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Structure of a TEM-1 beta-lactamase insertant allosterically regulated by kanamycin and anions. Complex with sulfate.
分子名称: BETA-LACTAMASE TEM, SULFATE ION, ZINC ION
著者Evrard, C, Barrios, H, Mathonet, P, Soumillion, P, Fastrez, J, Declercq, J.P.
登録日2007-05-31
公開日2008-06-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Engineering an Allosteric Binding Site for Aminoglycosides Into Tem1-Beta-Lactamase.
Chembiochem, 12, 2011
2WK0
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Crystal structure of the class A beta-lactamase BS3 inhibited by 6- beta-iodopenicillanate.
分子名称: (3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid, BETA-LACTAMASE, CHLORIDE ION, ...
著者Sauvage, E, Zervosen, A, Dive, G, Herman, R, Kerff, F, Amoroso, A, Fonze, E, Pratt, R.F, Luxen, A, Charlier, P.
登録日2009-06-03
公開日2009-12-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Basis of the Inhibition of Class a Beta-Lactamases and Penicillin-Binding Proteins by 6-Beta-Iodopenicillanate.
J.Am.Chem.Soc., 131, 2009
2WYX
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Neutron structure of a class A Beta-lactamase Toho-1 E166A R274N R276N triple mutant
分子名称: BETA-LACTAMSE TOHO-1
著者Tomanicek, S.J, Blakeley, M.P, Cooper, J, Chen, Y, Afonine, P, Coates, L.
登録日2009-11-20
公開日2010-01-12
最終更新日2024-05-08
実験手法NEUTRON DIFFRACTION (2.1 Å)
主引用文献Neutron Diffraction Studies of a Class a Beta-Lactamase Toho-1 E166A R274N R276N Triple Mutant
J.Mol.Biol., 396, 2010
2WZX
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AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA)IN COMPLEX WITH compound M-02
分子名称: (3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline, BETA-LACTAMASE, CHLORIDE ION
著者Fitzgerald, P.M.D, Sharma, N, Lu, J.
登録日2009-12-03
公開日2010-01-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Side Chain Sar of Bicyclic Beta-Lactamase Inhibitors (Blis). 1. Discovery of a Class C Bli for Combination with Imipinem.
Bioorg.Med.Chem.Lett., 20, 2010
2WZZ
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AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA)IN COMPLEX WITH compound M-03
分子名称: (3R)-1-[(4R)-AZEPAN-4-YLCARBAMOYL]-3-(SULFOAMINO)-L-PROLINE, BETA-LACTAMASE, CHLORIDE ION
著者Fitzgerald, P.M.D, Sharma, N, Lu, J.
登録日2009-12-03
公開日2010-01-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Side Chain Sar of Bicyclic Beta-Lactamase Inhibitors (Blis). 1. Discovery of a Class C Bli for Combination with Imipinem.
Bioorg.Med.Chem.Lett., 20, 2010
2X71
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Structural basis for the interaction of lactivicins with serine beta- lactamases
分子名称: (2E)-2-{[(2S)-2-(ACETYLAMINO)-2-CARBOXYETHOXY]IMINO}PENTANEDIOIC ACID, BETA-LACTAMASE, ETHANOL, ...
著者Sauvage, E, Herman, R, Kerff, F, Rocaboy, M, Charlier, P.
登録日2010-02-22
公開日2010-07-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for the Interaction of Lactivicins with Serine Beta-Lactamases.
J.Med.Chem., 53, 2010
2XQZ
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Neutron structure of the perdeuterated Toho-1 R274N R276N double mutant beta-lactamase
分子名称: BETA-LACTAMSE TOHO-1
著者Tomanicek, S.J, Wang, K.K, Weiss, K.L, Blakeley, M.P, Cooper, J, Chen, Y, Coates, L.
登録日2010-09-08
公開日2010-12-22
最終更新日2024-05-08
実験手法NEUTRON DIFFRACTION (2.1 Å)
主引用文献The Active Site Protonation States of Perdeuterated Toho-1 Beta-Lactamase Determined by Neutron Diffraction Support a Role for Glu166 as the General Base in Acylation.
FEBS Lett., 585, 2011
2XR0
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Room temperature X-ray structure of the perdeuterated Toho-1 R274N R276N double mutant beta-lactamase
分子名称: SULFATE ION, TOHO-1 BETA-LACTAMASE
著者Tomanicek, S.J, Wang, K.K, Weiss, K.L, Blakeley, M.P, Cooper, J, Chen, Y, Coates, L.
登録日2010-09-08
公開日2010-12-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Active Site Protonation States of Perdeuterated Toho-1 Beta-Lactamase Determined by Neutron Diffraction Support a Role for Glu166 as the General Base in Acylation.
FEBS Lett., 585, 2011
2Y91
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Crystal structure of class A beta-lactamase from Bacillus licheniformis BS3 with clavulanic acid
分子名称: 5-HYDROXY-3-OXOPENTANOIC ACID, BETA-LACTAMASE, CITRIC ACID, ...
著者Power, P, Sauvage, E, Herman, R, Kerff, F, Charlier, P.
登録日2011-02-11
公開日2012-02-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Novel Fragments of Clavulanate Observed in the Structure of the Class a Beta-Lactamase from Bacillus Licheniformis Bs3.
J.Antimicrob.Chemother., 67, 2012
2ZC7
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Crystal Structure of Class C beta-Lactamase ACT-1
分子名称: Beta-lactamase ACT-1
著者Shimizu-Ibuka, A, Sakai, H, Galleni, M.
登録日2007-11-02
公開日2008-09-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the plasmid-mediated class C beta-lactamase ACT-1
Acta Crystallogr.,Sect.F, 64, 2008

220113

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