1KE0
 
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1KE3
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1L0G
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1LGU
 | | T4 Lysozyme Mutant L99A/M102Q | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme | | Authors: | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | | Deposit date: | 2002-04-16 | | Release date: | 2002-05-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Model Binding Site for Testing Scoring Functions in Molecular Docking
J.Mol.Biol., 322, 2002
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1LL5
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1LLB
 | | Crystal Structure Of AmpC beta-Lactamase From E. Coli In Complex With ATMO-penicillin | | Descriptor: | 2-{1-[2-(2-AMINO-THIAZOL-4-YL)-2-METHOXYIMINO-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, beta-lactamase | | Authors: | Trehan, I, Morandi, F, Blaszczak, L.C, Shoichet, B.K. | | Deposit date: | 2002-04-26 | | Release date: | 2002-10-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Using steric hindrance to design new inhibitors of class C beta-lactamases.
Chem.Biol., 9, 2002
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1LGW
 | | T4 Lysozyme Mutant L99A/M102Q Bound by 2-fluoroaniline | | Descriptor: | 2-FLUOROANILINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | Authors: | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | | Deposit date: | 2002-04-16 | | Release date: | 2002-05-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A Model Binding Site for Testing Scoring Functions in Molecular Docking
J.Mol.Biol., 322, 2002
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1LI0
 | | Crystal structure of TEM-32 beta-Lactamase at 1.6 Angstrom | | Descriptor: | BICARBONATE ION, Class A beta-Lactamase- TEM-32, POTASSIUM ION | | Authors: | Wang, X, Minasov, G, Shoichet, B.K. | | Deposit date: | 2002-04-17 | | Release date: | 2002-09-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | The structural bases of antibiotic resistance in the clinically derived mutant beta-lactamases TEM-30, TEM-32, and TEM-34.
J.Biol.Chem., 277, 2002
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1L0D
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1L2S
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1I5Q
 | | CRYSTAL STRUCTURE OF THE E. COLI AMPC BETA-LACTAMASE MUTANT N152A COVALENTLY ACYLATED WITH THE INHIBITORY BETA-LACTAM, MOXALACTAM | | Descriptor: | (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 | | Authors: | Trehan, I, Beadle, B.M, Shoichet, B.K. | | Deposit date: | 2001-02-28 | | Release date: | 2001-06-20 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Inhibition of AmpC beta-lactamase through a destabilizing interaction in the active site.
Biochemistry, 40, 2001
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1L0F
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1LGX
 | | T4 Lysozyme Mutant L99A/M102Q Bound by 3,5-difluoroaniline | | Descriptor: | 3,5-DIFLUOROANILINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | Authors: | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | | Deposit date: | 2002-04-16 | | Release date: | 2002-05-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Model Binding Site for Testing Scoring Functions in Molecular Docking
J.Mol.Biol., 322, 2002
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1LHY
 | | Crystal structure of TEM-30 beta-Lactamase at 2.0 Angstrom | | Descriptor: | Class A beta-Lactamase- TEM 30, PHOSPHATE ION | | Authors: | Wang, X, Minasov, G, Shoichet, B.K. | | Deposit date: | 2002-04-17 | | Release date: | 2002-09-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structural bases of antibiotic resistance in the clinically derived mutant beta-lactamases TEM-30, TEM-32, and TEM-34.
J.Biol.Chem., 277, 2002
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1L0E
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1JWV
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1LI3
 | | T4 lysozyme mutant L99A/M102Q bound by 3-chlorophenol | | Descriptor: | 3-CHLOROPHENOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | Authors: | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | | Deposit date: | 2002-04-17 | | Release date: | 2002-05-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A Model Binding Site for Testing Scoring Functions in Molecular Docking
J.Mol.Biol., 322, 2002
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1LI6
 | | T4 lysozyme mutant L99A/M102Q bound by 5-methylpyrrole | | Descriptor: | 5-METHYLPYRROLE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | Authors: | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | | Deposit date: | 2002-04-17 | | Release date: | 2002-05-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Model Binding Site for Testing Scoring Functions in Molecular Docking
J.Mol.Biol., 322, 2002
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1LI9
 | | Crystal structure of TEM-34 beta-Lactamase at 1.5 Angstrom | | Descriptor: | Class A beta-Lactamase- TEM-34, PHOSPHATE ION, POTASSIUM ION | | Authors: | Wang, X, Minasov, G, Shoichet, B.K. | | Deposit date: | 2002-04-17 | | Release date: | 2002-09-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | The structural bases of antibiotic resistance in the clinically derived mutant beta-lactamases TEM-30, TEM-32, and TEM-34.
J.Biol.Chem., 277, 2002
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1LI2
 | | T4 Lysozyme Mutant L99A/M102Q Bound by Phenol | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme, ... | | Authors: | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | | Deposit date: | 2002-04-17 | | Release date: | 2002-05-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Model Binding Site for Testing Scoring Functions in Molecular Docking
J.Mol.Biol., 322, 2002
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1JWP
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1M40
 | | ULTRA HIGH RESOLUTION CRYSTAL STRUCTURE OF TEM-1 | | Descriptor: | BETA-LACTAMASE TEM, PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE, ... | | Authors: | Minasov, G, Wang, X, Shoichet, B.K. | | Deposit date: | 2002-07-01 | | Release date: | 2002-07-17 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | An ultrahigh resolution structure of TEM-1 beta-lactamase suggests a role for Glu166 as the general base in acylation.
J.Am.Chem.Soc., 124, 2002
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1IEM
 | | Crystal Structure of AmpC beta-lactamase from E. coli in Complex with a Boronic Acid Inhibitor (1, CefB4) | | Descriptor: | PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE, beta-lactamase | | Authors: | Powers, R.A, Caselli, E, Focia, P.J, Prati, F, Shoichet, B.K. | | Deposit date: | 2001-04-10 | | Release date: | 2001-08-15 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 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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1KVL
 | | X-ray Crystal Structure of AmpC S64G Mutant beta-Lactamase in Complex with Substrate and Product Forms of Cephalothin | | Descriptor: | 2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYL-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, 2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase, ... | | Authors: | Beadle, B.M, Trehan, I, Focia, P.J, Shoichet, B.K. | | Deposit date: | 2002-01-27 | | Release date: | 2002-03-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Structural milestones in the reaction pathway of an amide hydrolase: substrate, acyl, and product complexes of cephalothin with AmpC beta-lactamase.
Structure, 10, 2002
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1KVM
 | | X-ray Crystal Structure of AmpC WT beta-Lactamase in Complex with Covalently Bound Cephalothin | | Descriptor: | 5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, PHOSPHATE ION, beta-lactamase | | Authors: | Beadle, B.M, Trehan, I, Focia, P.J, Shoichet, B.K. | | Deposit date: | 2002-01-27 | | Release date: | 2002-03-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structural milestones in the reaction pathway of an amide hydrolase: substrate, acyl, and product complexes of cephalothin with AmpC beta-lactamase.
Structure, 10, 2002
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