2P74
 
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1YLJ
 | | Atomic resolution structure of CTX-M-9 beta-lactamase | | Descriptor: | SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, beta-lactamase CTX-M-9a | | Authors: | Chen, Y, Delmas, J, Sirot, J, Shoichet, B, Bonnet, R. | | Deposit date: | 2005-01-19 | | Release date: | 2005-04-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Atomic Resolution Structures of CTX-M beta-Lactamases: Extended Spectrum Activities from Increased Mobility and Decreased Stability.
J.Mol.Biol., 348, 2005
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1YM1
 | | X-ray crystallographic structure of CTX-M-9 beta-lactamase complexed with a boronic acid inhibitor (SM2) | | Descriptor: | (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, PHOSPHATE ION, beta-lactamase CTX-M-9a | | Authors: | Chen, Y, Shoichet, B, Bonnet, R. | | Deposit date: | 2005-01-20 | | Release date: | 2005-04-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Structure, Function, and Inhibition along the Reaction Coordinate of CTX-M beta-Lactamases.
J.Am.Chem.Soc., 127, 2005
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4DE0
 | | CTX-M-9 class A beta-lactamase complexed with compound 16 | | Descriptor: | Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide | | Authors: | Nichols, D.N, Chen, Y. | | Deposit date: | 2012-01-19 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
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4DE1
 | | CTX-M-9 class A beta-lactamase complexed with compound 18 | | Descriptor: | Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-2H-indazole-5-carboxamide | | Authors: | Nichols, D.A, Chen, Y. | | Deposit date: | 2012-01-19 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
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3G34
 | | CTX-M-9 class A beta-lactamase complexed with compound 11 (1CE) | | Descriptor: | 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE, ... | | Authors: | Chen, Y, Shoichet, B.K. | | Deposit date: | 2009-02-01 | | Release date: | 2009-03-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
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3G32
 | | CTX-M-9 class A beta-lactamase complexed with compound 6 (3G3) | | Descriptor: | 2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE, ... | | Authors: | Chen, Y, Shoichet, B.K. | | Deposit date: | 2009-02-01 | | Release date: | 2009-03-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
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3G2Y
 | | CTX-M-9 class A beta-lactamase complexed with compound 1 (GF4) | | Descriptor: | 4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE | | Authors: | Chen, Y, Shoichet, B.K. | | Deposit date: | 2009-02-01 | | Release date: | 2009-03-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
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5UJO
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4DDS
 | | CTX-M-9 class A beta-lactamase complexed with compound 11 | | Descriptor: | 3-(pyrimidin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE | | Authors: | Nichols, D.A, Chen, Y. | | Deposit date: | 2012-01-19 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
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4DDY
 | | CTX-M-9 class A beta-lactamase complexed with compound 10 | | Descriptor: | Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide | | Authors: | Nichols, D.A, Chen, Y. | | Deposit date: | 2012-01-19 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
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4DE2
 | | CTX-M-9 class A beta-lactamase complexed with compound 12 | | Descriptor: | 3-[(dimethylamino)methyl]-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE | | Authors: | Nichols, D.A, Chen, Y. | | Deposit date: | 2012-01-19 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
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3G35
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4DE3
 | | CTX-M-9 class A beta-lactamase complexed with compound 4 | | Descriptor: | 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE | | Authors: | Nichols, D.A, Chen, Y. | | Deposit date: | 2012-01-19 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
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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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3G2Z
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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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4LEN
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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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3Q1F
 | | CTX-M-9 S70G in complex with hydrolyzed piperacillin | | Descriptor: | Beta-lactamase, Hydrolyzed piperacillin | | Authors: | Leyssne, D, Delmas, J, Coignoux, A, Robin, F, Bonnet, R. | | Deposit date: | 2010-12-17 | | Release date: | 2011-12-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | CTX-M-9 S70G mutant in complex with hydrolyzed piperacillin
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: | 2024-05-29 | | 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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3Q07
 | | CTX-M-9 S70G in complex with piperacillin | | Descriptor: | Beta-lactamase, Hydrolyzed piperacillin, Piperacillin | | Authors: | Delmas, J, Leyssne, D, Robin, F, Coignoux, A, Bonnet, R. | | Deposit date: | 2010-12-15 | | Release date: | 2011-12-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | CTX-M-9 S70G mutant in complex with piperacillin
To be Published
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1YMS
 | | X-ray crystallographic structure of CTX-M-9 beta-lactamase complexed with nafcinin-like boronic acid inhibitor | | Descriptor: | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID, beta-lactamase CTX-M-9 | | Authors: | Chen, Y, Shoichet, B, Bonnet, R. | | Deposit date: | 2005-01-21 | | Release date: | 2005-04-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure, Function, and Inhibition along the Reaction Coordinate of CTX-M beta-Lactamases.
J.Am.Chem.Soc., 127, 2005
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6CYN
 | | CTX-M-14 N106S/D240G mutant | | Descriptor: | Beta-lactamase | | Authors: | Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T. | | Deposit date: | 2018-04-06 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance.
J. Biol. Chem., 293, 2018
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6CYQ
 | | Crystal structure of CTX-M-14 S70G/N106S beta-lactamase in complex with hydrolyzed cefotaxime | | Descriptor: | (2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro -2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, GLYCEROL | | Authors: | Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T. | | Deposit date: | 2018-04-06 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance.
J. Biol. Chem., 293, 2018
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