タイトル | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin. |
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ジャーナル・号・ページ | Angew. Chem. Int. Ed. Engl., Vol. 56, Page 4887-4890, Year 2017 |
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掲載日 | 2016年12月12日 (構造データの登録日) |
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著者 | Schiebel, J. / Gaspari, R. / Sandner, A. / Ngo, K. / Gerber, H.D. / Cavalli, A. / Ostermann, A. / Heine, A. / Klebe, G. |
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リンク | Angew. Chem. Int. Ed. Engl. / PubMed:28371253 |
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手法 | X線回折 / 中性子線回折 |
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解像度 | 0.79 - 1.441 Å |
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構造データ | PDB-5mn1: Cationic trypsin in complex with 2-aminopyridine (deuterated sample at 100 K) 手法: X-RAY DIFFRACTION / 解像度: 0.79 Å PDB-5mna: Cationic trypsin in complex with aniline (deuterated sample at 295 K) 手法: X-RAY DIFFRACTION / 解像度: 1.441 Å PDB-5mnb: Cationic trypsin in complex with 2-aminopyridine (deuterated sample at 295 K) 手法: X-RAY DIFFRACTION / 解像度: 0.939 Å PDB-5mnc: Cationic trypsin in complex with aniline (deuterated sample at 100 K) 手法: X-RAY DIFFRACTION / 解像度: 0.916 Å PDB-5mnx: Neutron structure of cationic trypsin in complex with 2-aminopyridine 手法: NEUTRON DIFFRACTION / 解像度: 1.42 Å PDB-5mny: Neutron structure of cationic trypsin in complex with aniline 手法: NEUTRON DIFFRACTION / 解像度: 1.43 Å PDB-5mon: Joint X-ray/neutron structure of cationic trypsin in complex with 2-aminopyridine 手法: X-RAY DIFFRACTION / NEUTRON DIFFRACTION / 解像度: 0.939 Å PDB-5moo: Joint X-ray/neutron structure of cationic trypsin in complex with aniline 手法: X-RAY DIFFRACTION / NEUTRON DIFFRACTION / 解像度: 1.441 Å |
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化合物 | |
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由来 | - bos taurus (ウシ)
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キーワード | HYDROLASE / hydrogen bonding / protonation / protein-ligand interaction |
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