4KZ5
 
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 5 (N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine) | | 分子名称: | Beta-lactamase, N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine, 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 (1.35 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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4LCL
 | | Simvastatin Synthase (LOVD), from Aspergillus Terreus, LovD6 mutant (simh6208) | | 分子名称: | ISOPROPYL ALCOHOL, Transesterase | | 著者 | Gao, X, Sawaya, M.R, Yeates, T.O, Tang, Y. | | 登録日 | 2013-06-21 | | 公開日 | 2014-04-02 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The role of distant mutations and allosteric regulation on LovD active site dynamics.
Nat.Chem.Biol., 10, 2014
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4LCM
 | | Simvastatin Synthase (LOVD), from Aspergillus Terreus, LovD9 mutant (simh9014) | | 分子名称: | Transesterase | | 著者 | Gao, X, Sawaya, M.R, Yeates, T.O, Tang, Y. | | 登録日 | 2013-06-21 | | 公開日 | 2014-04-02 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | | 主引用文献 | The role of distant mutations and allosteric regulation on LovD active site dynamics.
Nat.Chem.Biol., 10, 2014
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4KZ3
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 44 (5-chloro-3-sulfamoylthiophene-2-carboxylic acid) | | 分子名称: | 5-chloro-3-sulfamoylthiophene-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 (1.67 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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4KZB
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 50 (N-(methylsulfonyl)-N-phenyl-alanine) | | 分子名称: | Beta-lactamase, N-(methylsulfonyl)-N-phenyl-D-alanine, N-(methylsulfonyl)-N-phenyl-L-alanine | | 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 (1.37 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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4KZ8
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 20 (1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione) | | 分子名称: | 1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 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 (2.282 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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4KZ4
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 60 (2-[(propylsulfonyl)amino]benzoic acid) | | 分子名称: | 2-[(propylsulfonyl)amino]benzoic 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 (1.42 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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1HVB
 | | CRYSTAL STRUCTURE OF STREPTOMYCES R61 DD-PEPTIDASE COMPLEXED WITH A NOVEL CEPHALOSPORIN ANALOG OF CELL WALL PEPTIDOGLYCAN | | 分子名称: | 5-{3-(S)-(4-(R)-ACETYLAMINO-4-CARBOXY-BUTYRYLAMINO)-3-[1-(R)-(1-(R)-CARBOXY-ETHYLCARBAMOYL)-ETHYLCARBAMOYL]-PROPYL}-2-( CARBOXY-PHENYLACETYLAMINO-METHYL)-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE | | 著者 | McDonough, M.A, Lee, W, Silvaggi, N.R, Mobashery, S, Kelly, J.A. | | 登録日 | 2001-01-08 | | 公開日 | 2001-02-07 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | A 1.2-A snapshot of the final step of bacterial cell wall biosynthesis.
Proc.Natl.Acad.Sci.USA, 98, 2001
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4LV0
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4LV2
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1I5Q
 | | CRYSTAL STRUCTURE OF THE E. COLI AMPC BETA-LACTAMASE MUTANT N152A 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 | Trehan, I, Beadle, B.M, Shoichet, B.K. | | 登録日 | 2001-02-28 | | 公開日 | 2001-06-20 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Inhibition of AmpC beta-lactamase through a destabilizing interaction in the active site.
Biochemistry, 40, 2001
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1I2S
 | | BETA-LACTAMASE FROM BACILLUS LICHENIFORMIS BS3 | | 分子名称: | BETA-LACTAMASE, CITRIC ACID, SODIUM ION | | 著者 | Fonze, E, Vanhove, M, Dive, G, Sauvage, E, Frere, J.M, Charlier, P. | | 登録日 | 2001-02-12 | | 公開日 | 2002-03-13 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structures of the Bacillus licheniformis BS3 class A beta-lactamase and of the
acyl-enzyme adduct formed with cefoxitin
Biochemistry, 41, 2002
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1I2W
 | | BETA-LACTAMASE FROM BACILLUS LICHENIFORMIS BS3 COMPLEXED WITH CEFOXITIN | | 分子名称: | (2R)-5-[(carbamoyloxy)methyl]-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, BETA-LACTAMASE, CARBAMIC ACID | | 著者 | Fonze, E, Vanhove, M, Dive, G, Sauvage, E, Frere, J.M, Charlier, P. | | 登録日 | 2001-02-12 | | 公開日 | 2002-03-13 | | 最終更新日 | 2018-09-12 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structures of the Bacillus licheniformis BS3 class A beta-lactamase and of the acyl-enzyme adduct formed with cefoxitin
Biochemistry, 41, 2002
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4M3K
 | | Structure of a single domain camelid antibody fragment cAb-H7S in complex with the BlaP beta-lactamase from Bacillus licheniformis | | 分子名称: | Beta-lactamase, CHLORIDE ION, Camelid heavy-chain antibody variable fragment cAb-H7S | | 著者 | Pain, C, Kerff, F, Herman, R, Sauvage, E, Preumont, S, Charlier, P, Dumoulin, M. | | 登録日 | 2013-08-06 | | 公開日 | 2014-08-06 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Probing the mechanism of aggregation of polyQ model proteins with camelid heavy-chain antibody fragments
To be Published
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4LV1
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4LV3
 | | AmpC beta-lactamase in complex with (3,5-di-tert-butylphenyl) boronic acid | | 分子名称: | (3,5-di-tert-butylphenyl)boronic acid, Beta-lactamase, PHOSPHATE ION | | 著者 | London, N, Eidam, O, Shoichet, B.K. | | 登録日 | 2013-07-25 | | 公開日 | 2014-07-30 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
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1IKI
 | | COMPLEX OF STREPTOMYCES R61 DD-PEPTIDASE WITH THE PRODUCTS OF A SPECIFIC PEPTIDOGLYCAN SUBSTRATE FRAGMENT | | 分子名称: | D-ALANINE, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-D-ALANINE | | 著者 | Mcdonough, M.A, Anderson, J.W, Silvaggi, N.R, Pratt, R.F, Knox, J.R, Kelly, J.A. | | 登録日 | 2001-05-03 | | 公開日 | 2002-09-11 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Structures of two kinetic intermediates reveal species specificity of penicillin-binding proteins.
J.Mol.Biol., 322, 2002
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1IKG
 | | MICHAELIS COMPLEX OF STREPTOMYCES R61 DD-PEPTIDASE WITH A SPECIFIC PEPTIDOGLYCAN SUBSTRATE FRAGMENT | | 分子名称: | D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-D-ALANYL-D-ALANINE | | 著者 | Mcdonough, M.A, Anderson, J.W, Silvaggi, N.R, Pratt, R.F, Knox, J.R, Kelly, J.A. | | 登録日 | 2001-05-03 | | 公開日 | 2002-09-11 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structures of two kinetic intermediates reveal species specificity of penicillin-binding proteins.
J.Mol.Biol., 322, 2002
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1IEL
 | | Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Ceftazidime | | 分子名称: | ACYLATED CEFTAZIDIME, PHOSPHATE ION, beta-lactamase | | 著者 | Powers, R.A, Caselli, E, Focia, P.J, Prati, F, Shoichet, B.K. | | 登録日 | 2001-04-10 | | 公開日 | 2001-08-15 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structures of ceftazidime and its transition-state analogue in complex with AmpC beta-lactamase: implications for resistance mutations and inhibitor design.
Biochemistry, 40, 2001
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1IEM
 | | Crystal Structure of AmpC beta-lactamase from E. coli in Complex with a Boronic Acid Inhibitor (1, CefB4) | | 分子名称: | PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE, beta-lactamase | | 著者 | Powers, R.A, Caselli, E, Focia, P.J, Prati, F, Shoichet, B.K. | | 登録日 | 2001-04-10 | | 公開日 | 2001-08-15 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structures of ceftazidime and its transition-state analogue in complex with AmpC beta-lactamase: implications for resistance mutations and inhibitor design.
Biochemistry, 40, 2001
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4N1H
 | | Structure of a single-domain camelid antibody fragment cAb-F11N in complex with the BlaP beta-lactamase from Bacillus licheniformis | | 分子名称: | Beta-lactamase, Camelid heavy-chain antibody variable fragment cAb-F11N | | 著者 | Pain, C, Kerff, F, Herman, R, Sauvage, E, Preumont, S, Charlier, P, Dumoulin, M. | | 登録日 | 2013-10-04 | | 公開日 | 2014-10-08 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Probing the mechanism of aggregation of polyQ model proteins with camelid heavy-chain antibody fragments
To be Published
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4U0X
 | | 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
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4U0T
 | | 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
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4N9L
 | | crystal structure of beta-lactamse PenP_E166S in complex with meropenem | | 分子名称: | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase | | 著者 | Pan, X, Wong, W, Zhao, Y. | | 登録日 | 2013-10-21 | | 公開日 | 2014-09-10 | | 最終更新日 | 2022-02-09 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation
Biochemistry, 53, 2014
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4N9K
 | | crystal structure of beta-lactamse PenP_E166S in complex with cephaloridine | | 分子名称: | 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase | | 著者 | Pan, X, Wong, W, Zhao, Y. | | 登録日 | 2013-10-21 | | 公開日 | 2014-09-10 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation
Biochemistry, 53, 2014
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