タイトル | Chirality-Driven Mode of Binding of alpha-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS). |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 62, Page 9691-9702, Year 2019 |
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掲載日 | 2018年11月28日 (構造データの登録日) |
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著者 | Feng, Y. / Park, J. / Li, S.G. / Boutin, R. / Viereck, P. / Schilling, M.A. / Berghuis, A.M. / Tsantrizos, Y.S. |
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リンク | J. Med. Chem. / PubMed:31577901 |
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手法 | X線回折 |
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解像度 | 2 - 2.55 Å |
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構造データ | PDB-6n7y: Crystal structure of human FPPS in complex with an allosteric inhibitor MIT-01-102 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-6n7z: Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02037 手法: X-RAY DIFFRACTION / 解像度: 2.55 Å PDB-6n82: Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02037 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-6n83: Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02037 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-6oag: Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02-82 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-6oah: Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02-78 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å |
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化合物 | ChemComp-KFA: [(1R)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid
ChemComp-KF7: [(1S)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid
ChemComp-YF7: [(1S)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid
ChemComp-YL6: [(1R)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid
ChemComp-M2Y: [(1S)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid
ChemComp-M2V: [(1R)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid
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由来 | homo sapiens (ヒト)
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キーワード | TRANSFERASE/TRANSFERASE INHIBITOR / Transferase / Transferase-Transferase Inhibitor complex |
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