タイトル | Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases. |
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ジャーナル・号・ページ | Org. Biomol. Chem., Vol. 20, Page 877-886, Year 2022 |
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掲載日 | 2021年4月29日 (構造データの登録日) |
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著者 | McGregor, N.G.S. / Kuo, C.L. / Beenakker, T.J.M. / Wong, C.S. / Offen, W.A. / Armstrong, Z. / Florea, B.I. / Codee, J.D.C. / Overkleeft, H.S. / Aerts, J.M.F.G. / Davies, G.J. |
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リンク | Org. Biomol. Chem. / PubMed:35015006 |
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手法 | X線回折 |
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解像度 | 1.3 - 2.05 Å |
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構造データ | PDB-7odj: Exo-mannosidase from Cellvibrio mixtus bound to N-alkyl mannocyclophellitol aziridine 手法: X-RAY DIFFRACTION / 解像度: 1.3 Å PDB-7omi: Bs164 in complex with mannocyclophellitol epoxide 手法: X-RAY DIFFRACTION / 解像度: 1.76 Å PDB-7oms: Bs164 in complex with mannocyclophellitol aziridine 手法: X-RAY DIFFRACTION / 解像度: 2.05 Å PDB-7op6: Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno-configured cyclophellitol aziridine 手法: X-RAY DIFFRACTION / 解像度: 2.05 Å PDB-7op7: Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno-configured N-alkyl cyclophellitol aziridine 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å |
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化合物 | ChemComp-VEE: (1R,2S,3R,4S,5R,6R)-5-(8-azidooctylamino)-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
ChemComp-VKN: (1R,2S,4S,5R)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
ChemComp-VKH: (1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol
ChemComp-JIW: beta-D-manno-configured cyclophellitol aziridine, reacted form
ChemComp-JIT: beta-D-manno-configured cyclophellitol aziridine
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由来 | - cellvibrio mixtus (バクテリア)
- bacteroides salyersiae (バクテリア)
- bacteroides thetaiotaomicron vpi-5482 (バクテリア)
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キーワード | HYDROLASE / Mannosidase / covalent inhibitor / cyclophellitol / cellvibrio / Inhibitor complex / cyclophellitol aziridine |
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