タイトル | Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen |
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ジャーナル・号・ページ | To Be Published |
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掲載日 | 2022年7月29日 (構造データの登録日) |
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著者 | You, W. / Steegborn, C. |
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リンク | PubMedで検索 |
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手法 | X線回折 |
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解像度 | 1.73 - 2.13 Å |
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構造データ | PDB-8ak5: Human Sirt6 in complex with ADP-ribose and fragment pyroglutamic acid 手法: X-RAY DIFFRACTION / 解像度: 2.12 Å PDB-8ak6: Human Sirt6 in complex with ADP-ribose and fragment sulfamethoxazole 手法: X-RAY DIFFRACTION / 解像度: 1.98 Å PDB-8ak7: Human Sirt6 in complex with ADP-ribose and fragment 6-O-methylguanine 手法: X-RAY DIFFRACTION / 解像度: 1.81 Å PDB-8ak8: Human Sirt6 in complex with ADP-ribose and fragment 4-hydroxybenzamide 手法: X-RAY DIFFRACTION / 解像度: 1.73 Å PDB-8ak9: Human Sirt6 in complex with ADP-ribose and fragment Isatin 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-8aka: Human Sirt6 in complex with ADP-ribose and fragment cis-resveratrol 手法: X-RAY DIFFRACTION / 解像度: 1.77 Å PDB-8akb: Human Sirt6 in complex with ADP-ribose and fragment 4-nitrocatechol 手法: X-RAY DIFFRACTION / 解像度: 2.13 Å PDB-8akc: Human Sirt6 in complex with ADP-ribose and fragment 3-(acetylamino)thiophene-2-carboxylic acid 手法: X-RAY DIFFRACTION / 解像度: 1.83 Å PDB-8akd: Human Sirt6 in complex with ADP-ribose and fragment 1-methyl-L-histidine 手法: X-RAY DIFFRACTION / 解像度: 1.76 Å PDB-8ake: Human Sirt6 in complex with ADP-ribose and fragment nicotinamide 手法: X-RAY DIFFRACTION / 解像度: 1.82 Å PDB-8akf: Human Sirt6 in complex with ADP-ribose and fragment 3-aminobenzamide 手法: X-RAY DIFFRACTION / 解像度: 1.97 Å PDB-8akg: Human Sirt6 in complex with ADP-ribose and fragment 4-amino-6-chlorobenzene-1,3-disulfonamide 手法: X-RAY DIFFRACTION / 解像度: 1.82 Å PDB-8bl0: Human Sirt6 in complex with the inhibitor S6023 and ADP-ribose 手法: X-RAY DIFFRACTION / 解像度: 1.82 Å PDB-8bl1: Human Sirt6 in complex with the inhibitor S6039 and ADP-ribose 手法: X-RAY DIFFRACTION / 解像度: 2.06 Å PDB-8cnm: Human Sirt6 in complex with the inhibitor S6020 and ADP-ribose 手法: X-RAY DIFFRACTION / 解像度: 1.88 Å PDB-8cno: Improved complex structure of human Sirtuin 6 with its inhibitor cis-resveratrol 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å |
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化合物 | ChemComp-AR6: [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL
ChemComp-GV9: 3-(acetylamino)thiophene-2-carboxylic acid
ChemComp-QTI: 3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonylbenzenesulfonamide
ChemComp-QY3: 2-azanyl-5-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonyl-benzenesulfonamide
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由来 | - homo sapiens (ヒト)
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キーワード | HYDROLASE / Deacylase / Fragment / Inhibitor |
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