タイトル | Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors. |
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ジャーナル・号・ページ | Biochemistry, Vol. 58, Page 4424-4435, Year 2019 |
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掲載日 | 2019年2月4日 (構造データの登録日) |
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著者 | Yen, Y.C. / Kammeyer, A.M. / Jensen, K.C. / Tirlangi, J. / Ghosh, A.K. / Mesecar, A.D. |
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リンク | Biochemistry / PubMed:31549827 |
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手法 | X線回折 |
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解像度 | 2.13 - 2.352 Å |
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構造データ | PDB-6nv7: BACE1 in complex with a macrocyclic inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.132 Å PDB-6nv9: BACE1 in complex with a macrocyclic inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.13 Å PDB-6nw3: BACE1 in complex with a macrocyclic inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.352 Å |
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化合物 | ChemComp-L3J: (E)-N-(2-methylpropylidene)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-D-threoninamide
ChemComp-L3M: (3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide
ChemComp-L4J: N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide
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由来 | homo sapiens (ヒト)
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キーワード | PEPTIDE BINDING PROTEIN/Inhibitor / protease / inhibitor complex / PEPTIDE BINDING PROTEIN / PEPTIDE BINDING PROTEIN-Inhibitor complex |
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