タイトル | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. |
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ジャーナル・号・ページ | Angew. Chem. Int. Ed. Engl., Vol. 61, Page e202112919-e202112919, Year 2022 |
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掲載日 | 2021年9月20日 (構造データの登録日) |
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著者 | Stachowski, T.R. / Vanarotti, M. / Seetharaman, J. / Lopez, K. / Fischer, M. |
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リンク | Angew. Chem. Int. Ed. Engl. / PubMed:35648650 |
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手法 | X線回折 |
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解像度 | 1.45 - 2.3 Å |
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構造データ | PDB-7s8y: Cryogenic apo Human Hsp90a-NTD 手法: X-RAY DIFFRACTION / 解像度: 1.59 Å PDB-7s8z: Room-temperature apo Human Hsp90a-NTD 手法: X-RAY DIFFRACTION / 解像度: 1.64 Å PDB-7s90: Cryogenic Human Hsp90a-NTD bound to adenine 手法: X-RAY DIFFRACTION / 解像度: 1.79 Å PDB-7s95: Room-temperature Human Hsp90a-NTD bound to adenine 手法: X-RAY DIFFRACTION / 解像度: 1.71 Å PDB-7s98: Cryogenic Human Hsp90a-NTD bound to N6M 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-7s99: Room-temperature Human Hsp90a-NTD bound to N6M 手法: X-RAY DIFFRACTION / 解像度: 1.52 Å PDB-7s9f: Cryogenic Human Hsp90a-NTD bound to BIIB021 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-7s9g: Room-temperature Human Hsp90a-NTD bound to BIIB021 手法: X-RAY DIFFRACTION / 解像度: 1.79 Å PDB-7s9h: Cryogenic Human Hsp90a-NTD bound to EC144 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å PDB-7s9i: Room-temperature Human Hsp90a-NTD bound to EC144 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å |
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化合物 | ChemComp-94M: 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine / BIIB-021
ChemComp-7PP: 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2
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由来 | homo sapiens (ヒト)
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キーワード | Chaperone / Hydrolase / CHAPERONE PROTEIN / SIGNAL TRANSDUCTION / HEAT SHOCK / chaperon / heat shock protein / signaling |
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