1NYM
| Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (CXB) | 分子名称: | Beta-lactamase TEM, PHOSPHATE ION, POTASSIUM ION, ... | 著者 | Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K. | 登録日 | 2003-02-12 | 公開日 | 2003-08-26 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Recognition and resistance in TEM beta-lactamase Biochemistry, 42, 2003
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1NYY
| Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (105) | 分子名称: | Beta-lactamase TEM, N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID | 著者 | Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K. | 登録日 | 2003-02-14 | 公開日 | 2003-08-26 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Recognition and resistance in TEM beta-lactamase Biochemistry, 42, 2003
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1NY0
| Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (NBF) | 分子名称: | Beta-lactamase TEM, PHOSPHATE ION, 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 (1.75 Å) | 主引用文献 | Recognition and Resistance in TEM beta-lactamase Biochemistry, 42, 2003
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4I7R
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4I7J
| T4 Lysozyme L99A/M102H with benzene bound | 分子名称: | 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BENZENE, ... | 著者 | Merski, M, Shoichet, B.K. | 登録日 | 2012-11-30 | 公開日 | 2013-03-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
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4I7T
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4I7O
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4I7N
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4I7K
| T4 Lysozyme L99A/M102H with toluene bound | 分子名称: | 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BETA-MERCAPTOETHANOL, ... | 著者 | Merski, M, Shoichet, B.K. | 登録日 | 2012-11-30 | 公開日 | 2013-03-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
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4I7M
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4I7Q
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4I7P
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4I7L
| T4 Lysozyme L99A/M102H with phenol bound | 分子名称: | 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BETA-MERCAPTOETHANOL, ... | 著者 | Merski, M, Shoichet, B.K. | 登録日 | 2012-11-30 | 公開日 | 2013-04-03 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
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4I7S
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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) | 分子名称: | (1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid, Beta-lactamase, PHOSPHATE ION | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | 登録日 | 2013-05-29 | 公開日 | 2014-05-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
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4KZ6
| Crystal structure of AmpC beta-lactamase in complex with fragment 13 ((2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid) | 分子名称: | (2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | 登録日 | 2013-05-29 | 公開日 | 2014-05-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
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4KZA
| Crystal structure of AmpC beta-lactamase in complex with fragment 48 (3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid) | 分子名称: | 3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | 登録日 | 2013-05-29 | 公開日 | 2014-05-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
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4KZ9
| Crystal structure of AmpC beta-lactamase in complex with fragment 41 ((4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol) | 分子名称: | (4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol, Beta-lactamase, PHOSPHATE ION | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | 登録日 | 2013-05-29 | 公開日 | 2014-05-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | 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) | 分子名称: | Beta-lactamase, N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine, PHOSPHATE ION | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | 登録日 | 2013-05-29 | 公開日 | 2014-05-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
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4KZ3
| Crystal structure of AmpC beta-lactamase in complex with fragment 44 (5-chloro-3-sulfamoylthiophene-2-carboxylic acid) | 分子名称: | 5-chloro-3-sulfamoylthiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | 登録日 | 2013-05-29 | 公開日 | 2014-05-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
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4KZB
| Crystal structure of AmpC beta-lactamase in complex with fragment 50 (N-(methylsulfonyl)-N-phenyl-alanine) | 分子名称: | Beta-lactamase, N-(methylsulfonyl)-N-phenyl-D-alanine, N-(methylsulfonyl)-N-phenyl-L-alanine | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | 登録日 | 2013-05-29 | 公開日 | 2014-05-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
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4KZ4
| Crystal structure of AmpC beta-lactamase in complex with fragment 60 (2-[(propylsulfonyl)amino]benzoic acid) | 分子名称: | 2-[(propylsulfonyl)amino]benzoic acid, Beta-lactamase, PHOSPHATE ION | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | 登録日 | 2013-05-29 | 公開日 | 2014-05-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | 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) | 分子名称: | 1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, Beta-lactamase, PHOSPHATE ION | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | 登録日 | 2013-05-29 | 公開日 | 2014-05-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.282 Å) | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
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4LV0
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4LV2
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