タイトル | Substituent Position of Iminocyclitols Determines the Potency and Selectivity for Gut Microbial Xenobiotic-Reactivating Enzymes. |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 63, Page 4617-4627, Year 2020 |
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掲載日 | 2019年4月30日 (構造データの登録日) |
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著者 | Dashnyam, P. / Lin, H.Y. / Chen, C.Y. / Gao, S. / Yeh, L.F. / Hsieh, W.C. / Tu, Z. / Lin, C.H. |
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リンク | J. Med. Chem. / PubMed:32105467 |
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手法 | X線回折 |
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解像度 | 1.29 - 1.73 Å |
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構造データ | PDB-6jz1: Apo structure of b-glucuronidase from Ruminococcus gnavus at 1.7 Angstrom resolution 手法: X-RAY DIFFRACTION / 解像度: 1.73 Å PDB-6jz2: b-glucuronidase from Ruminococcus gnavus in complex with uronic isofagomine at 1.3 Angstroms resolution 手法: X-RAY DIFFRACTION / 解像度: 1.29 Å PDB-6jz3: b-glucuronidase from Ruminococcus gnavus in complex with uronic deoxynojirimycin 手法: X-RAY DIFFRACTION / 解像度: 1.502 Å PDB-6jz4: b-glucuronidase from Ruminococcus gnavus in complex with D-glucaro-d-lactam 手法: X-RAY DIFFRACTION / 解像度: 1.712 Å PDB-6jz5: b-glucuronidase from Ruminococcus gnavus in complex with D-glucuronic acid 手法: X-RAY DIFFRACTION / 解像度: 1.58 Å PDB-6jz6: b-glucuronidase from Ruminococcus gnavus in complex with C6-substituted uronic isofagomine 手法: X-RAY DIFFRACTION / 解像度: 1.605 Å PDB-6jz7: b-glucuronidase from Ruminococcus gnavus in complex with N1-substituted uronic isofagomine 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å PDB-6jz8: b-glucuronidase from Ruminococcus gnavus in complex with D-glucaro 1,5-lactone 手法: X-RAY DIFFRACTION / 解像度: 1.583 Å |
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化合物 | ChemComp-CKX: (2~{S},3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-2-propyl-piperidine-3-carboxylic acid
ChemComp-CKU: (3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid
ChemComp-GCB: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxo-oxane-2-carboxylic acid
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由来 | - [ruminococcus] gnavus (バクテリア)
- ruminococcus gnavus (バクテリア)
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キーワード | HYDROLASE / b-glucuronidase |
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