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1FR1
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REFINED CRYSTAL STRUCTURE OF BETA-LACTAMASE FROM CITROBACTER FREUNDII INDICATES A MECHANISM FOR BETA-LACTAM HYDROLYSIS
分子名称: BETA-LACTAMASE
著者Oefner, C, D'Arcy, A, Daly, J.J, Winkler, F.K.
登録日2000-09-07
公開日2001-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Refined crystal structure of beta-lactamase from Citrobacter freundii indicates a mechanism for beta-lactam hydrolysis.
Nature, 343, 1990
1FCM
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CRYSTAL STRUCTURE OF THE E.COLI AMPC BETA-LACTAMASE MUTANT Q120L/Y150E COVALENTLY ACYLATED WITH THE INHIBITORY BETA-LACTAM, CLOXACILLIN
分子名称: BETA-LACTAMASE, CLOXACILLIN (OPEN FORM)
著者Patera, A, Blaszczak, L.C, Shoichet, B.K.
登録日2000-07-18
公開日2000-12-04
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Crystal Structures of Substrate and Inhibitor Complexes with AmpC -Lactamase: Possible Implications for Substrate-Assisted Catalysis
J.Am.Chem.Soc., 122, 2000
1FSW
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AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR CEPHALOTHINBORONIC ACID
分子名称: CEPHALOSPORINASE, N-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACID, PHOSPHATE ION
著者Caselli, E, Powers, R.A, Blaszczak, L.C, Wu, C.Y, Prati, F, Shoichet, B.K.
登録日2000-09-11
公開日2001-03-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Energetic, structural, and antimicrobial analyses of beta-lactam side chain recognition by beta-lactamases.
Chem.Biol., 8, 2001
4OOY
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Avibactam and class C beta-lactamases: mechanism of inhibition, conservation of binding pocket and implications for resistance
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者Lahiri, S.D, Olivier, N.B, Alm, R.A.
登録日2014-02-04
公開日2014-08-20
最終更新日2018-02-14
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Avibactam and Class C beta-Lactamases: Mechanism of Inhibition, Conservation of the Binding Pocket, and Implications for Resistance.
Antimicrob.Agents Chemother., 58, 2014
4JXS
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X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a non-covalent inhibitor 3-[(4-CARBOXYBENZYL)SULFAMOYL]THIOPHENE-2-CARBOXYLIC ACID (compound 4)
分子名称: 3-[(4-carboxybenzyl)sulfamoyl]thiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Powers, R.A, Hendershot, J.M.
登録日2013-03-28
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based efforts to optimize a non-beta-lactam inhibitor of AmpC beta-lactamase.
Bioorg.Med.Chem., 22, 2014
1FCO
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CRYSTAL STRUCTURE OF THE E. COLI AMPC BETA-LACTAMASE COVALENTLY ACYLATED WITH THE INHIBITORY BETA-LACTAM, MOXALACTAM
分子名称: (2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid, BETA-LACTAMASE
著者Patera, A, Blaszczak, L.C, Shoichet, B.K.
登録日2000-07-19
公開日2000-12-04
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structures of Substrate and Inhibitor Complexes with AmpC -Lactamase: Possible Implications for Substrate-Assisted Catalysis
J.Am.Chem.Soc., 122, 2000
1FCN
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Crystal Structure of the E. Coli AMPC Beta-Lactamase Mutant Q120L/Y150E Covalently Acylated with the Substrate Beta-Lactam LORACARBEF
分子名称: BETA-LACTAMASE, LORACABEF (Open form)
著者Patera, A, Blaszczak, L.C, Shoichet, B.K.
登録日2000-07-18
公開日2000-12-04
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal Structures of Substrate and Inhibitor Complexes with AmpC -Lactamase: Possible Implications for Substrate-Assisted Catalysis
J.Am.Chem.Soc., 122, 2000
4OLD
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Crystal structure of AmpC beta-lactamase in complex with the product form of (6R,7R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
分子名称: (2R)-2-[(R)-amino(carboxy)methyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Shoichet, B.K, Barelier, S.
登録日2014-01-23
公開日2014-05-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Substrate deconstruction and the nonadditivity of enzyme recognition.
J.Am.Chem.Soc., 136, 2014
4JXW
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BU of 4jxw by Molmil
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a non-covalent inhibitor 3-{[3-(4-CARBOXYPHENYL)PROPYL]SULFAMOYL}THIOPHENE-2-CARBOXYLIC ACID (compound 6)
分子名称: 3-{[3-(4-carboxyphenyl)propyl]sulfamoyl}thiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Powers, R.A, Hendershot, J.M.
登録日2013-03-28
公開日2014-05-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-based efforts to optimize a non-beta-lactam inhibitor of AmpC beta-lactamase.
Bioorg.Med.Chem., 22, 2014
1FR6
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REFINED CRYSTAL STRUCTURE OF BETA-LACTAMASE FROM CITROBACTER FREUNDII INDICATES A MECHANISM FOR BETA-LACTAM HYDROLYSIS
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, BETA-LACTAMASE
著者Oefner, C, D'Arcy, A, Daly, J.J, Winkler, F.K.
登録日2000-09-07
公開日2001-01-17
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Refined crystal structure of beta-lactamase from Citrobacter freundii indicates a mechanism for beta-lactam hydrolysis.
Nature, 343, 1990
1FSY
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AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR CLOXACILLINBORONIC ACID
分子名称: CEPHALOSPORINASE, N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID, PHOSPHATE ION
著者Caselli, E, Powers, R.A, Blasczcak, L.C, Wu, C.Y, Prati, F, Shoichet, B.K.
登録日2000-09-11
公開日2001-03-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Energetic, structural, and antimicrobial analyses of beta-lactam side chain recognition by beta-lactamases.
Chem.Biol., 8, 2001
4JXG
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Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Oxacillin
分子名称: (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, Beta-lactamase, PHOSPHATE ION, ...
著者Wallar, B.J, Powers, R.A, Docter, B.E.
登録日2013-03-28
公開日2014-10-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Complexed structures of AmpC beta-lactamase
To be Published
1GA0
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STRUCTURE OF THE E. CLOACAE GC1 BETA-LACTAMASE WITH A CEPHALOSPORIN SULFONE INHIBITOR
分子名称: 3-(4-CARBAMOYL-1-CARBOXY-2-METHYLSULFONYL-BUTA-1,3-DIENYLAMINO)-INDOLIZINE-2-CARBOXYLIC ACID, BETA-LACTAMASE, GLYCEROL, ...
著者Crichlow, G.V, Nukaga, M, Buynak, J.D, Knox, J.R.
登録日2000-11-28
公開日2001-06-06
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Inhibition of class C beta-lactamases: structure of a reaction intermediate with a cephem sulfone.
Biochemistry, 40, 2001
4JXV
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X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a non-covalent inhibitor 3-{[2-(4-CARBOXYPHENYL)ETHYL]SULFAMOYL}THIOPHENE-2-CARBOXYLIC ACID (compound 5)
分子名称: 3-{[2-(4-carboxyphenyl)ethyl]sulfamoyl}thiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Powers, R.A, Hendershot, J.M.
登録日2013-03-28
公開日2014-04-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structure-based efforts to optimize a non-beta-lactam inhibitor of AmpC beta-lactamase.
Bioorg.Med.Chem., 22, 2014
1GCE
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STRUCTURE OF THE BETA-LACTAMASE OF ENTEROBACTER CLOACAE GC1
分子名称: BETA-LACTAMASE
著者Crichlow, G.V, Kuzin, A.P, Nukaga, M, Sawai, T, Knox, J.R.
登録日1999-05-17
公開日1999-08-27
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the extended-spectrum class C beta-lactamase of Enterobacter cloacae GC1, a natural mutant with a tandem tripeptide insertion.
Biochemistry, 38, 1999
1GA9
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CRYSTAL STRUCTURE OF AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH NON-BETA-LACTAMASE INHIBITOR (2, 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID)
分子名称: 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID, BETA-LACTAMASE, PHOSPHATE ION, ...
著者Tondi, D, Powers, R.A, Caselli, E, Negri, M.C, Blazquez, J, Costi, M.P, Shoichet, B.K.
登録日2000-11-29
公開日2001-07-25
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design and in-parallel synthesis of inhibitors of AmpC beta-lactamase.
Chem.Biol., 8, 2001
4KEN
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Crystal Structure of AmpC beta-lactamase N152G Mutant in Complex with Cefoxitin
分子名称: (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Docter, B.E, Baggett, V.L, Powers, R.A, Wallar, B.J.
登録日2013-04-25
公開日2014-10-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Complexed structures of AmpC beta-lactamase
To be Published
4KG5
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Crystal Structure of AmpC beta-lactamase N152G Mutant in Complex with Cefotaxime
分子名称: Beta-lactamase, CEFOTAXIME, C3' cleaved, ...
著者Docter, B.E, Baggett, V.L, Powers, R.A, Wallar, B.J.
登録日2013-04-28
公開日2014-10-29
最終更新日2018-09-19
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Complexed structures of AmpC beta-lactamase
To be Published
4KG6
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Crystal Structure of AmpC beta-lactamase N152G Mutant from E. coli
分子名称: Beta-lactamase, PHOSPHATE ION
著者Docter, B.E, Baggett, V.L, Powers, R.A, Wallar, B.J.
登録日2013-04-28
公開日2014-10-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Complexed structures of AmpC beta-lactamase
To be Published
4QD4
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Structure of ADC-68, a Novel Carbapenem-Hydrolyzing Class C Extended-Spectrum -Lactamase from Acinetobacter baumannii
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase ADC-68, CITRIC ACID
著者Hong, M.K, Kang, L.W.
登録日2014-05-13
公開日2015-01-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of ADC-68, a novel carbapenem-hydrolyzing class C extended-spectrum beta-lactamase isolated from Acinetobacter baumannii
Acta Crystallogr.,Sect.D, 70, 2014
4KG2
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Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Cefotaxime
分子名称: Beta-lactamase, CEFOTAXIME, C3' cleaved, ...
著者Docter, B.E, Baggett, V.L, Powers, R.A, Wallar, B.J.
登録日2013-04-28
公開日2014-10-29
最終更新日2018-09-19
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Complexed structures of AmpC beta-lactamase
To be Published
4KZ6
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Crystal structure of AmpC beta-lactamase in complex with fragment 13 ((2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid)
分子名称: (2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
登録日2013-05-29
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
4KZA
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Crystal structure of AmpC beta-lactamase in complex with fragment 48 (3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid)
分子名称: 3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
登録日2013-05-29
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
4KZ7
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Crystal structure of AmpC beta-lactamase in complex with fragment 16 ((1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid)
分子名称: (1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
登録日2013-05-29
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
4KZ9
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Crystal structure of AmpC beta-lactamase in complex with fragment 41 ((4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol)
分子名称: (4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol, Beta-lactamase, PHOSPHATE ION
著者Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
登録日2013-05-29
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014

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