3GQZ
 
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3GR2
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3GRJ
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3GSG
 | | AmpC beta-lactamase in complex with Fragment-based Inhibitor | | Descriptor: | (2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ... | | Authors: | Teotico, D.T, Shoichet, B.K. | | Deposit date: | 2009-03-26 | | Release date: | 2009-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Docking for fragment inhibitors of AmpC beta-lactamase
Proc.Natl.Acad.Sci.USA, 106, 2009
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3GTC
 | | AmpC beta-lactamase in complex with Fragment-based Inhibitor | | Descriptor: | (1R,2S)-2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Teotico, D.T, Shoichet, B.K. | | Deposit date: | 2009-03-27 | | Release date: | 2009-04-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Docking for fragment inhibitors of AmpC beta-lactamase
Proc.Natl.Acad.Sci.USA, 106, 2009
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3GV9
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3GVB
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3HL9
 | | Simvastatin Synthase (LovD) from Aspergillus terreus, unliganded | | Descriptor: | Transesterase | | Authors: | Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y. | | Deposit date: | 2009-05-27 | | Release date: | 2009-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
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3HLB
 | | Simvastatin Synthase (LovD) from Aspergillus terreus, unliganded, selenomethionyl derivative | | Descriptor: | SULFATE ION, Transesterase | | Authors: | Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y. | | Deposit date: | 2009-05-27 | | Release date: | 2009-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
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3HLC
 | | Simvastatin Synthase (LovD) from Aspergillus terreus, S5 mutant, unliganded | | Descriptor: | GLYCEROL, TETRAETHYLENE GLYCOL, Transesterase | | Authors: | Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y. | | Deposit date: | 2009-05-27 | | Release date: | 2009-10-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
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3HLD
 | | Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant complex with monacolin J acid | | Descriptor: | (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid, FORMIC ACID, Transesterase | | Authors: | Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y. | | Deposit date: | 2009-05-27 | | Release date: | 2009-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
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3HLE
 | | Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant, S76A mutant, complex with monacolin J acid | | Descriptor: | (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Transesterase | | Authors: | Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y. | | Deposit date: | 2009-05-27 | | Release date: | 2009-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
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3HLF
 | | Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant, S76A mutant, complex with simvastatin | | Descriptor: | Simvastatin acid, Transesterase | | Authors: | Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y. | | Deposit date: | 2009-05-27 | | Release date: | 2009-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
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3HLG
 | | Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant, S76A mutant, complex with lovastatin | | Descriptor: | (3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}-1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL)-3,5-DIHYDROXYHEPTANOIC ACID, Transesterase | | Authors: | Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y. | | Deposit date: | 2009-05-27 | | Release date: | 2009-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
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3HLW
 | | CTX-M-9 S70G in complex with cefotaxime | | Descriptor: | (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, CTX-M-9 extended-spectrum beta-lactamase | | Authors: | Delmas, J, Leyssne, D, Dubois, D, Vazeille, E, Robin, F, Bonnet, R. | | Deposit date: | 2009-05-28 | | Release date: | 2010-06-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural insights into substrate recognition and product expulsion in CTX-M enzymes.
J.Mol.Biol., 400, 2010
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3HRE
 | | X-ray crystallographic structure of CTX-M-9 S70G | | Descriptor: | CTX-M-9 extended-spectrum beta-lactamase, PHOSPHATE ION | | Authors: | Delmas, J, Leyssene, D, Dubois, D, Vazeille, E, Robin, F, Bonnet, R. | | Deposit date: | 2009-06-09 | | Release date: | 2010-06-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural insights into substrate recognition and product expulsion in CTX-M enzymes.
J.Mol.Biol., 400, 2010
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3HUM
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3HUN
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3HUO
 | | X-ray crystallographic structure of CTX-M-9 S70G in complex with benzylpenicillin | | Descriptor: | (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CTX-M-9 extended-spectrum beta-lactamase, PENICILLIN G | | Authors: | Delmas, J, Leyssene, D, Dubois, D, Robin, F, Bonnet, R. | | Deposit date: | 2009-06-15 | | Release date: | 2010-05-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Dynamic view of the early and late steps of the catalytic mechanism mediated by the emerging enzymes CTX-M.
To be Published
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3HVF
 | | X-ray crystallographic structure of CTX-M-9 S70G in complex with hydrolyzed benzylpenicillin | | Descriptor: | (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CTX-M-9 extended-spectrum beta-lactamase | | Authors: | Delmas, J, Leyssene, D, Dubois, D, Vazeille, E, Robin, F, Bonnet, R. | | Deposit date: | 2009-06-16 | | Release date: | 2010-05-26 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural insights into substrate recognition and product expulsion in CTX-M enzymes.
J.Mol.Biol., 400, 2010
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3IQA
 | | Crystal Structure of BlaC covalently bound with Doripenem | | Descriptor: | (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Tremblay, L.W, Blanchard, J.S. | | Deposit date: | 2009-08-19 | | Release date: | 2010-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Biochemical and structural characterization of Mycobacterium tuberculosis beta-lactamase with the carbapenems ertapenem and doripenem.
Biochemistry, 49, 2010
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3IWI
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3IWO
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3IWQ
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3IXB
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