4KZA
 
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 48 (3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid) | | Descriptor: | 3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | Deposit date: | 2013-05-29 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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4KZ7
 | | 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) | | Descriptor: | (1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | Deposit date: | 2013-05-29 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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4JXW
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4JXV
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4KZ9
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 41 ((4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol) | | Descriptor: | (4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol, Beta-lactamase, PHOSPHATE ION | | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | Deposit date: | 2013-05-29 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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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) | | Descriptor: | Beta-lactamase, N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine, PHOSPHATE ION | | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | Deposit date: | 2013-05-29 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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4LCM
 | | Simvastatin Synthase (LOVD), from Aspergillus Terreus, LovD9 mutant (simh9014) | | Descriptor: | Transesterase | | Authors: | Gao, X, Sawaya, M.R, Yeates, T.O, Tang, Y. | | Deposit date: | 2013-06-21 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | The role of distant mutations and allosteric regulation on LovD active site dynamics.
Nat.Chem.Biol., 10, 2014
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4LCL
 | | Simvastatin Synthase (LOVD), from Aspergillus Terreus, LovD6 mutant (simh6208) | | Descriptor: | ISOPROPYL ALCOHOL, Transesterase | | Authors: | Gao, X, Sawaya, M.R, Yeates, T.O, Tang, Y. | | Deposit date: | 2013-06-21 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 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) | | Descriptor: | 5-chloro-3-sulfamoylthiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | Deposit date: | 2013-05-29 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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4JXG
 | | Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Oxacillin | | Descriptor: | (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, ... | | Authors: | Wallar, B.J, Powers, R.A, Docter, B.E. | | Deposit date: | 2013-03-28 | | Release date: | 2014-10-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Complexed structures of AmpC beta-lactamase
To be Published
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4KZB
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 50 (N-(methylsulfonyl)-N-phenyl-alanine) | | Descriptor: | Beta-lactamase, N-(methylsulfonyl)-N-phenyl-D-alanine, N-(methylsulfonyl)-N-phenyl-L-alanine | | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | Deposit date: | 2013-05-29 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | 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) | | Descriptor: | 1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, Beta-lactamase, PHOSPHATE ION | | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | Deposit date: | 2013-05-29 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.282 Å) | | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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4KEN
 | | Crystal Structure of AmpC beta-lactamase N152G Mutant in Complex with Cefoxitin | | Descriptor: | (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 | | Authors: | Docter, B.E, Baggett, V.L, Powers, R.A, Wallar, B.J. | | Deposit date: | 2013-04-25 | | Release date: | 2014-10-29 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | 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 | | Descriptor: | Beta-lactamase, CEFOTAXIME, C3' cleaved, ... | | Authors: | Docter, B.E, Baggett, V.L, Powers, R.A, Wallar, B.J. | | Deposit date: | 2013-04-28 | | Release date: | 2014-10-29 | | Last modified: | 2018-09-19 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Complexed structures of AmpC beta-lactamase
To be Published
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4KZ4
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 60 (2-[(propylsulfonyl)amino]benzoic acid) | | Descriptor: | 2-[(propylsulfonyl)amino]benzoic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | Deposit date: | 2013-05-29 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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4KG2
 | | Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Cefotaxime | | Descriptor: | Beta-lactamase, CEFOTAXIME, C3' cleaved, ... | | Authors: | Docter, B.E, Baggett, V.L, Powers, R.A, Wallar, B.J. | | Deposit date: | 2013-04-28 | | Release date: | 2014-10-29 | | Last modified: | 2018-09-19 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Complexed structures of AmpC beta-lactamase
To be Published
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4LV0
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4LV2
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4LV3
 | | AmpC beta-lactamase in complex with (3,5-di-tert-butylphenyl) boronic acid | | Descriptor: | (3,5-di-tert-butylphenyl)boronic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | London, N, Eidam, O, Shoichet, B.K. | | Deposit date: | 2013-07-25 | | Release date: | 2014-07-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
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4LV1
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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 | | Descriptor: | Beta-lactamase, CHLORIDE ION, Camelid heavy-chain antibody variable fragment cAb-H7S | | Authors: | Pain, C, Kerff, F, Herman, R, Sauvage, E, Preumont, S, Charlier, P, Dumoulin, M. | | Deposit date: | 2013-08-06 | | Release date: | 2014-08-06 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Probing the mechanism of aggregation of polyQ model proteins with camelid heavy-chain antibody fragments
To be Published
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1HVB
 | | CRYSTAL STRUCTURE OF STREPTOMYCES R61 DD-PEPTIDASE COMPLEXED WITH A NOVEL CEPHALOSPORIN ANALOG OF CELL WALL PEPTIDOGLYCAN | | Descriptor: | 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 | | Authors: | McDonough, M.A, Lee, W, Silvaggi, N.R, Mobashery, S, Kelly, J.A. | | Deposit date: | 2001-01-08 | | Release date: | 2001-02-07 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | 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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3FKW
 | | AmpC K67R mutant apo structure | | Descriptor: | Beta-lactamase, PHOSPHATE ION, POTASSIUM ION | | Authors: | Chen, Y, McReynolds, A, Shoichet, B.K. | | Deposit date: | 2008-12-17 | | Release date: | 2009-03-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.498 Å) | | Cite: | Re-examining the role of Lys67 in class C beta-lactamase catalysis.
Protein Sci., 18, 2009
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1IKI
 | | COMPLEX OF STREPTOMYCES R61 DD-PEPTIDASE WITH THE PRODUCTS OF A SPECIFIC PEPTIDOGLYCAN SUBSTRATE FRAGMENT | | Descriptor: | D-ALANINE, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-D-ALANINE | | Authors: | Mcdonough, M.A, Anderson, J.W, Silvaggi, N.R, Pratt, R.F, Knox, J.R, Kelly, J.A. | | Deposit date: | 2001-05-03 | | Release date: | 2002-09-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structures of two kinetic intermediates reveal species specificity of penicillin-binding proteins.
J.Mol.Biol., 322, 2002
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3GQZ
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