1FCN
 
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1FR1
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1FCM
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4KEN
 | | 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
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4KG5
 | | 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
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1CEG
 | | CEPHALOTHIN COMPLEXED WITH DD-PEPTIDASE | | 分子名称: | CEPHALOTHIN GROUP, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE TRANSPEPTIDASE | | 著者 | Knox, J.R, Kuzin, A.P. | | 登録日 | 1995-01-12 | | 公開日 | 1996-10-14 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Binding of cephalothin and cefotaxime to D-ala-D-ala-peptidase reveals a functional basis of a natural mutation in a low-affinity penicillin-binding protein and in extended-spectrum beta-lactamases.
Biochemistry, 34, 1995
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1CEF
 | | CEFOTAXIME COMPLEXED WITH THE STREPTOMYCES R61 DD-PEPTIDASE | | 分子名称: | CEFOTAXIME, C3' cleaved, open, ... | | 著者 | Knox, J.R, Kuzin, A.P. | | 登録日 | 1995-01-12 | | 公開日 | 1996-10-14 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Binding of cephalothin and cefotaxime to D-ala-D-ala-peptidase reveals a functional basis of a natural mutation in a low-affinity penicillin-binding protein and in extended-spectrum beta-lactamases.
Biochemistry, 34, 1995
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4KG2
 | | 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
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4KG6
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1FSY
 | | 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
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4KZ9
 | | 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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1GA0
 | | 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
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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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1GCE
 | | 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
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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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1CI9
 | | DFP-INHIBITED ESTERASE ESTB FROM BURKHOLDERIA GLADIOLI | | 分子名称: | DIISOPROPYL PHOSPHONATE, PROTEIN (CARBOXYLESTERASE) | | 著者 | Wagner, U.G, Petersen, E.I, Schwab, H, Kratky, C. | | 登録日 | 1999-04-08 | | 公開日 | 2001-12-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | EstB from Burkholderia gladioli: a novel esterase with a beta-lactamase fold reveals steric factors to discriminate between esterolytic and beta-lactam cleaving activity
Protein Sci., 11, 2002
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4JXW
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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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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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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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1GA9
 | | 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 | 2024-10-09 | | 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
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4KZ6
 | | 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
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4KZA
 | | 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
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