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1LI2
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T4 Lysozyme Mutant L99A/M102Q Bound by Phenol
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme, ...
著者Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
登録日2002-04-17
公開日2002-05-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Model Binding Site for Testing Scoring Functions in Molecular Docking
J.Mol.Biol., 322, 2002
1LI9
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Crystal structure of TEM-34 beta-Lactamase at 1.5 Angstrom
分子名称: Class A beta-Lactamase- TEM-34, PHOSPHATE ION, POTASSIUM ION
著者Wang, X, Minasov, G, Shoichet, B.K.
登録日2002-04-17
公開日2002-09-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献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
1LLB
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Crystal Structure Of AmpC beta-Lactamase From E. Coli In Complex With ATMO-penicillin
分子名称: 2-{1-[2-(2-AMINO-THIAZOL-4-YL)-2-METHOXYIMINO-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, beta-lactamase
著者Trehan, I, Morandi, F, Blaszczak, L.C, Shoichet, B.K.
登録日2002-04-26
公開日2002-10-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Using steric hindrance to design new inhibitors of class C beta-lactamases.
Chem.Biol., 9, 2002
1LI0
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BU of 1li0 by Molmil
Crystal structure of TEM-32 beta-Lactamase at 1.6 Angstrom
分子名称: BICARBONATE ION, Class A beta-Lactamase- TEM-32, POTASSIUM ION
著者Wang, X, Minasov, G, Shoichet, B.K.
登録日2002-04-17
公開日2002-09-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献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
1L0D
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BU of 1l0d by Molmil
X-ray Crystal Structure of AmpC S64D Mutant beta-Lactamase
分子名称: PHOSPHATE ION, beta-lactamase
著者Beadle, B.M, Shoichet, B.K.
登録日2002-02-09
公開日2002-08-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structural bases of stability-function tradeoffs in enzymes.
J.Mol.Biol., 321, 2002
1L2S
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BU of 1l2s by Molmil
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a DOCK-predicted non-covalent inhibitor
分子名称: 3-[(4-CHLOROANILINO)SULFONYL]THIOPHENE-2-CARBOXYLIC ACID, beta-lactamase
著者Powers, R.A, Morandi, F, Shoichet, B.K.
登録日2002-02-24
公開日2002-07-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structure-based discovery of a novel, noncovalent inhibitor of AmpC beta-lactamase.
Structure, 10, 2002
1L0G
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BU of 1l0g by Molmil
X-ray Crystal Structure of AmpC S64G Mutant beta-Lactamase
分子名称: PHOSPHATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, beta-lactamase
著者Beadle, B.M, Shoichet, B.K.
登録日2002-02-09
公開日2002-08-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural bases of stability-function tradeoffs in enzymes.
J.Mol.Biol., 321, 2002
1LL9
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Crystal Structure Of AmpC beta-Lactamase From E. Coli In Complex With Amoxicillin
分子名称: 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, beta-lactamase
著者Trehan, I, Morandi, F, Blaszczak, L.C, Shoichet, B.K.
登録日2002-04-26
公開日2002-10-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Using steric hindrance to design new inhibitors of class C beta-lactamases.
Chem.Biol., 9, 2002
1LL5
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X-ray crystal structure of AmpC WT beta-lactamase in complex with covalently bound imipenem
分子名称: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, beta-lactamase
著者Beadle, B.M, Shoichet, B.K.
登録日2002-04-26
公開日2002-11-27
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for Imipenem Inhibition of Class C beta-lactamases
ANTIMICROB.AGENTS CHEMOTHER., 46, 2002
1LGU
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T4 Lysozyme Mutant L99A/M102Q
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme
著者Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
登録日2002-04-16
公開日2002-05-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Model Binding Site for Testing Scoring Functions in Molecular Docking
J.Mol.Biol., 322, 2002
1L0F
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BU of 1l0f by Molmil
X-ray Crystal Structure of AmpC N152H Mutant beta-Lactamase
分子名称: PHOSPHATE ION, beta-lactamase
著者Beadle, B.M, Shoichet, B.K.
登録日2002-02-09
公開日2002-08-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structural bases of stability-function tradeoffs in enzymes.
J.Mol.Biol., 321, 2002
1L0E
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BU of 1l0e by Molmil
X-ray Crystal Structure of AmpC K67Q Mutant beta-Lactamase
分子名称: PHOSPHATE ION, beta-lactamase
著者Beadle, B.M, Shoichet, B.K.
登録日2002-02-09
公開日2002-08-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural bases of stability-function tradeoffs in enzymes.
J.Mol.Biol., 321, 2002
1LGX
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BU of 1lgx by Molmil
T4 Lysozyme Mutant L99A/M102Q Bound by 3,5-difluoroaniline
分子名称: 3,5-DIFLUOROANILINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
登録日2002-04-16
公開日2002-05-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Model Binding Site for Testing Scoring Functions in Molecular Docking
J.Mol.Biol., 322, 2002
1LHY
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Crystal structure of TEM-30 beta-Lactamase at 2.0 Angstrom
分子名称: Class A beta-Lactamase- TEM 30, PHOSPHATE ION
著者Wang, X, Minasov, G, Shoichet, B.K.
登録日2002-04-17
公開日2002-09-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
1M40
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ULTRA HIGH RESOLUTION CRYSTAL STRUCTURE OF TEM-1
分子名称: BETA-LACTAMASE TEM, PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE, ...
著者Minasov, G, Wang, X, Shoichet, B.K.
登録日2002-07-01
公開日2002-07-17
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献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
1KDW
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X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 4-carboxyphenylboronic acid
分子名称: 4-CARBOXYPHENYLBORONIC ACID, PHOSPHATE ION, beta-lactamase
著者Powers, R.A, Shoichet, B.K.
登録日2001-11-13
公開日2002-07-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structure-based approach for binding site identification on AmpC beta-lactamase.
J.Med.Chem., 45, 2002
1KVL
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X-ray Crystal Structure of AmpC S64G Mutant beta-Lactamase in Complex with Substrate and Product Forms of Cephalothin
分子名称: 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, ...
著者Beadle, B.M, Trehan, I, Focia, P.J, Shoichet, B.K.
登録日2002-01-27
公開日2002-03-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structural milestones in the reaction pathway of an amide hydrolase: substrate, acyl, and product complexes of cephalothin with AmpC beta-lactamase.
Structure, 10, 2002
1KDS
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X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 3-nitrophenylboronic acid
分子名称: 3-NITROPHENYLBORONIC ACID, BETA-LACTAMASE
著者Powers, R.A, Shoichet, B.K.
登録日2001-11-13
公開日2002-07-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-based approach for binding site identification on AmpC beta-lactamase.
J.Med.Chem., 45, 2002
1LI3
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BU of 1li3 by Molmil
T4 lysozyme mutant L99A/M102Q bound by 3-chlorophenol
分子名称: 3-CHLOROPHENOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
登録日2002-04-17
公開日2002-05-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Model Binding Site for Testing Scoring Functions in Molecular Docking
J.Mol.Biol., 322, 2002
1LI6
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T4 lysozyme mutant L99A/M102Q bound by 5-methylpyrrole
分子名称: 5-METHYLPYRROLE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
登録日2002-04-17
公開日2002-05-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Model Binding Site for Testing Scoring Functions in Molecular Docking
J.Mol.Biol., 322, 2002
1MXO
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AmpC beta-lactamase in complex with an m.carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain
分子名称: (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION
著者Morandi, F, Caselli, E, Morandi, S, Focia, P.J, Blazquez, J, Shoichet, B.K, Prati, F.
登録日2002-10-02
公開日2003-03-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Nanomolar inhibitors of AmpC beta-lactamase.
J.Am.Chem.Soc., 125, 2003
1MY8
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AmpC beta-lactamase in complex with an M.carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain
分子名称: (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID, PHOSPHATE ION, beta-lactamase
著者Morandi, F, Caselli, E, Morandi, S, Focia, P.J, Blazquez, J, Shoichet, B.K, Prati, F.
登録日2002-10-03
公開日2003-03-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Nanomolar inhibitors of AmpC beta-lactamase.
J.Am.Chem.Soc., 125, 2003
1O07
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Crystal Structure of the complex between Q120L/Y150E mutant of AmpC and a beta-lactam inhibitor (MXG)
分子名称: 2-(1-{2-[4-(2-ACETYLAMINO-PROPIONYLAMINO)-4-CARBOXY-BUTYRYLAMINO]-6-AMINO-HEXANOYLAMINO}-2-OXO-ETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase, POTASSIUM ION
著者Meroueh, S.O, Minasov, G, Lee, W, Shoichet, B.K, Mobashery, S.
登録日2003-02-20
公開日2003-08-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structural Aspects for Evolution of beta-Lactamases from Penicillin-Binding Proteins
J.Am.Chem.Soc., 125, 2003
1LGW
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T4 Lysozyme Mutant L99A/M102Q Bound by 2-fluoroaniline
分子名称: 2-FLUOROANILINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
登録日2002-04-16
公開日2002-05-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Model Binding Site for Testing Scoring Functions in Molecular Docking
J.Mol.Biol., 322, 2002
1NXY
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Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (SM2)
分子名称: (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase TEM, POTASSIUM ION
著者Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K.
登録日2003-02-11
公開日2003-08-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Recognition and Resistance in TEM beta-lactamase
Biochemistry, 42, 2003

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