7L3H
| T4 Lysozyme L99A - ethylbenzene - RT | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Fischer, M, Bradford, S.Y.C. | 登録日 | 2020-12-17 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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7L3E
| T4 Lysozyme L99A - 3-iodotoluene - cryo | 分子名称: | 1-iodo-3-methylbenzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | 著者 | Fischer, M, Bradford, S.Y.C. | 登録日 | 2020-12-17 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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7L3K
| T4 Lysozyme L99A - benzylacetate - cryo | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Fischer, M, Bradford, S.Y.C. | 登録日 | 2020-12-17 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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7L3C
| T4 Lysozyme L99A - o-xylene - RT | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Fischer, M, Bradford, S.Y.C. | 登録日 | 2020-12-17 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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7L3D
| T4 Lysozyme L99A - 3-iodotoluene - RT | 分子名称: | 1-iodo-3-methylbenzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | 著者 | Fischer, M, Bradford, S.Y.C. | 登録日 | 2020-12-17 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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7L3I
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3HT7
| 2-ethylphenol in complex with T4 lysozyme L99A/M102Q | 分子名称: | 2-ethylphenol, BETA-MERCAPTOETHANOL, Lysozyme, ... | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | 登録日 | 2009-06-11 | 公開日 | 2009-11-03 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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3HTF
| 4-chloro-1h-pyrazole in complex with T4 lysozyme L99A/M102Q | 分子名称: | 4-chloro-1H-pyrazole, BETA-MERCAPTOETHANOL, Lysozyme, ... | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | 登録日 | 2009-06-11 | 公開日 | 2009-11-03 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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3HU9
| Nitrosobenzene in complex with T4 lysozyme L99A/M102Q | 分子名称: | Lysozyme, NITROSOBENZENE, PHOSPHATE ION | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | 登録日 | 2009-06-13 | 公開日 | 2009-11-03 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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3HT8
| 5-chloro-2-methylphenol in complex with T4 lysozyme L99A/M102Q | 分子名称: | 5-chloro-2-methylphenol, Lysozyme, PHOSPHATE ION | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | 登録日 | 2009-06-11 | 公開日 | 2009-11-03 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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3HTG
| 2-ethoxy-3,4-dihydro-2h-pyran in complex with T4 lysozyme L99A/M102Q | 分子名称: | (2S)-2-ethoxy-3,4-dihydro-2H-pyran, BETA-MERCAPTOETHANOL, Lysozyme, ... | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | 登録日 | 2009-06-11 | 公開日 | 2009-11-03 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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3HUA
| 4,5,6,7-tetrahydroindole in complex with T4 lysozyme L99A/M102Q | 分子名称: | 4,5,6,7-tetrahydro-1H-indole, BETA-MERCAPTOETHANOL, Lysozyme, ... | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | 登録日 | 2009-06-13 | 公開日 | 2009-11-03 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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7LZM
| COMPARISON OF THE CRYSTAL STRUCTURE OF BACTERIOPHAGE T4 LYSOZYME AT LOW, MEDIUM, AND HIGH IONIC STRENGTHS | 分子名称: | CHLORIDE ION, T4 LYSOZYME | 著者 | Bell, J.A, Wilson, K, Zhang, X.-J, Faber, H.R, Nicholson, H, Matthews, B.W. | 登録日 | 1991-01-25 | 公開日 | 1992-07-15 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Comparison of the crystal structure of bacteriophage T4 lysozyme at low, medium, and high ionic strengths. Proteins, 10, 1991
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3HU8
| 2-ethoxyphenol in complex with T4 lysozyme L99A/M102Q | 分子名称: | 2-ethoxyphenol, Lysozyme, PHOSPHATE ION | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | 登録日 | 2009-06-13 | 公開日 | 2009-11-03 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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3HT9
| 2-methoxyphenol in complex with T4 lysozyme L99A/M102Q | 分子名称: | BETA-MERCAPTOETHANOL, Guaiacol, Lysozyme, ... | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | 登録日 | 2009-06-11 | 公開日 | 2009-11-03 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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3HUQ
| Thieno[3,2-b]thiophene in complex with T4 lysozyme L99A/M102Q | 分子名称: | BETA-MERCAPTOETHANOL, Lysozyme, PHOSPHATE ION, ... | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | 登録日 | 2009-06-15 | 公開日 | 2009-11-03 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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3HUK
| Benzylacetate in complex with T4 lysozyme L99A/M102Q | 分子名称: | BETA-MERCAPTOETHANOL, Lysozyme, PHOSPHATE ION, ... | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | 登録日 | 2009-06-14 | 公開日 | 2009-11-03 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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7LOE
| T4 lysozyme mutant L99A in complex with 1-fluoranylnaphthalene | 分子名称: | 1-fluoranylnaphthalene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | 著者 | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | 登録日 | 2021-02-10 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | 主引用文献 | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
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7LOA
| T4 lysozyme mutant L99A in complex with 3-fluoroiodobenzene | 分子名称: | 1-fluoranyl-3-iodanyl-benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | 著者 | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | 登録日 | 2021-02-09 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | 主引用文献 | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
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7LOF
| T4 lysozyme mutant L99A in complex with 2-butylthiophene | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-butylthiophene, BETA-MERCAPTOETHANOL, ... | 著者 | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | 登録日 | 2021-02-10 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
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7LX9
| T4 lysozyme mutant L99A | 分子名称: | (but-3-en-1-yl)benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Lysozyme | 著者 | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | 登録日 | 2021-03-03 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
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7LOD
| T4 lysozyme mutant L99A in complex with 1-fluoranyl-4-iodanyl-benzene | 分子名称: | 1-fluoranyl-4-iodanyl-benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | 著者 | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | 登録日 | 2021-02-10 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | 主引用文献 | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
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7LOG
| T4 lysozyme mutant L99A in complex with 3-butylpyridine | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-butylpyridine, BETA-MERCAPTOETHANOL, ... | 著者 | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | 登録日 | 2021-02-10 | 公開日 | 2021-08-25 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (0.99 Å) | 主引用文献 | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
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3HH6
| New azaborine compounds bind to the T4 lysozyme L99A cavity -ethylbenzene as control | 分子名称: | 2-HYDROXYETHYL DISULFIDE, Lysozyme, PHENYLETHANE, ... | 著者 | Liu, L, Matthews, B.W. | 登録日 | 2009-05-14 | 公開日 | 2009-10-13 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Boron mimetics: 1,2-dihydro-1,2-azaborines bind inside a nonpolar cavity of T4 lysozyme. Angew.Chem.Int.Ed.Engl., 48, 2009
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3HDE
| Crystal structure of full-length endolysin R21 from phage 21 | 分子名称: | Lysozyme | 著者 | Sun, Q, Arockiasamy, A, McKee, E, Caronna, E, Sacchettini, J.C. | 登録日 | 2009-05-07 | 公開日 | 2009-11-03 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Regulation of a muralytic enzyme by dynamic membrane topology. Nat.Struct.Mol.Biol., 16, 2009
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