7L39
| T4 Lysozyme L99A - toluene - 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 (1.35 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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7L3F
| T4 Lysozyme L99A - 4-iodotoluene - RT | 分子名称: | 1-iodo-4-methylbenzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 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 (1.49 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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7L3G
| T4 Lysozyme L99A - 4-iodotoluene - cryo | 分子名称: | 1-iodo-4-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 (1.27 Å) | 主引用文献 | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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2V4C
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4JMW
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2XA5
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2WX9
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2WYP
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2WYK
| SiaP in complex with Neu5Gc | 分子名称: | N-glycolyl-beta-neuraminic acid, SIALIC ACID-BINDING PERIPLASMIC PROTEIN SIAP, THIOCYANATE ION | 著者 | Fischer, M, Hubbard, R.E. | 登録日 | 2009-11-16 | 公開日 | 2011-01-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Water networks can determine the affinity of ligand binding to proteins. J.Am.Chem.Soc., 2019
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2XWK
| SiaP R147A mutant in complex with Neu5Ac | 分子名称: | N-acetyl-beta-neuraminic acid, SIALIC ACID-BINDING PERIPLASMIC PROTEIN SIAP | 著者 | Fischer, M, Hubbard, R.E. | 登録日 | 2010-11-04 | 公開日 | 2011-11-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Tripartite ATP-Independent Periplasmic (Trap) Transporters Use an Arginine-Mediated Selectivity Filter for High Affinity Substrate Binding. J.Biol.Chem., 290, 2015
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2XXK
| SiaP complex | 分子名称: | N-acetyl-beta-neuraminic acid, SIALIC ACID-BINDING PERIPLASMIC PROTEIN SIAP | 著者 | Fischer, M, Hubbard, R.E. | 登録日 | 2010-11-10 | 公開日 | 2011-11-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Siap Complex To be Published
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2XWV
| SiaP complex | 分子名称: | N-acetyl-beta-neuraminic acid, SIALIC ACID-BINDING PERIPLASMIC PROTEIN SIAP | 著者 | Fischer, M, Hubbard, R.E. | 登録日 | 2010-11-05 | 公開日 | 2011-11-16 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Tripartite ATP-Independent Periplasmic (Trap) Transporters Use an Arginine-Mediated Selectivity Filter for High Affinity Substrate Binding. J.Biol.Chem., 290, 2015
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2XWI
| SiaP R147K mutant in complex with Neu5Ac | 分子名称: | N-acetyl-beta-neuraminic acid, SIALIC ACID-BINDING PERIPLASMIC PROTEIN SIAP | 著者 | Fischer, M, Hubbard, R.E. | 登録日 | 2010-11-04 | 公開日 | 2011-11-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.195 Å) | 主引用文献 | Tripartite ATP-Independent Periplasmic (Trap) Transporters Use an Arginine-Mediated Selectivity Filter for High Affinity Substrate Binding. J.Biol.Chem., 290, 2015
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2XWO
| SiaP R147E mutant in complex with sialylamide | 分子名称: | (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide, SIALIC ACID-BINDING PERIPLASMIC PROTEIN SIAP | 著者 | Fischer, M, Hubbard, R.E. | 登録日 | 2010-11-04 | 公開日 | 2011-11-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Tripartite ATP-Independent Periplasmic (Trap) Transporters Use an Arginine-Mediated Selectivity Filter for High Affinity Substrate Binding. J.Biol.Chem., 290, 2015
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4NVK
| Predicting protein conformational response in prospective ligand discovery. | 分子名称: | Cytochrome c peroxidase, N~2~,N~2~-diethylquinazoline-2,4-diamine, PHOSPHATE ION, ... | 著者 | Fischer, M, Fraser, J.S. | 登録日 | 2013-12-05 | 公開日 | 2013-12-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
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4NVB
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4NVN
| Predicting protein conformational response in prospective ligand discovery | 分子名称: | 2,3-dihydrobenzo[h][1,6]naphthyridin-4(1H)-one, Cytochrome c peroxidase, PHOSPHATE ION, ... | 著者 | Fischer, M, Fraser, J.S. | 登録日 | 2013-12-05 | 公開日 | 2013-12-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
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4NVM
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4NVE
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4NVO
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4NVJ
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4NVG
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4NVC
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