タイトル | Human PLD structures enable drug design and characterization of isoenzyme selectivity. |
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ジャーナル・号・ページ | Nat. Chem. Biol., Vol. 16, Page 391-399, Year 2020 |
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掲載日 | 2019年4月6日 (構造データの登録日) |
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著者 | Metrick, C.M. / Peterson, E.A. / Santoro, J.C. / Enyedy, I.J. / Murugan, P. / Chen, T. / Michelsen, K. / Cullivan, M. / Spilker, K.A. / Kumar, P.R. ...Metrick, C.M. / Peterson, E.A. / Santoro, J.C. / Enyedy, I.J. / Murugan, P. / Chen, T. / Michelsen, K. / Cullivan, M. / Spilker, K.A. / Kumar, P.R. / May-Dracka, T.L. / Chodaparambil, J.V. |
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リンク | Nat. Chem. Biol. / PubMed:32042197 |
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手法 | X線回折 |
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解像度 | 1.895 - 3.2 Å |
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構造データ | PDB-6ohm: Structure of tungstate bound human Phospholipase D2 catalytic domain 手法: X-RAY DIFFRACTION / 解像度: 1.895 Å PDB-6oho: Structure of human Phospholipase D2 catalytic domain 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-6ohp: Structure of compound 1 (halopemide) bound human Phospholipase D2 catalytic domain 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å PDB-6ohq: Structure of compound 4 bound human Phospholipase D2 catalytic domain 手法: X-RAY DIFFRACTION / 解像度: 2.694 Å PDB-6ohr: Structure of compound 5 bound human Phospholipase D1 catalytic domain 手法: X-RAY DIFFRACTION / 解像度: 3.2 Å PDB-6ohs: Structure of compound 3 (ML299) bound human Phospholipase D2 catalytic domain 手法: X-RAY DIFFRACTION / 解像度: 3.2 Å |
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化合物 | ChemComp-MJV: N-{2-[4-(5-chloro-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]ethyl}-4-fluorobenzamide / ハロペミド
ChemComp-MKA: 4-fluoro-N-{(2S)-1-[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl}benzamide
ChemComp-MKG: 4-fluoro-N-{(2S)-1-[(5R)-5-(3-fluorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl]propan-2-yl}benzamide
ChemComp-MJY: 4-bromo-N-{(2S)-1-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl}benzamide / ML-299
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由来 | homo sapiens (ヒト)
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キーワード | HYDROLASE / phosphodiesterase / HKD motif / hydrolase/hydrolase inhibitor / hydrolase-hydrolase inhibitor complex |
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