タイトル | Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein. |
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ジャーナル・号・ページ | Angew. Chem. Int. Ed. Engl., Vol. 60, Page 10172-10178, Year 2021 |
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掲載日 | 2020年3月6日 (構造データの登録日) |
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著者 | Smola, M. / Gutten, O. / Dejmek, M. / Kozisek, M. / Evangelidis, T. / Tehrani, Z.A. / Novotna, B. / Nencka, R. / Birkus, G. / Rulisek, L. / Boura, E. |
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リンク | Angew. Chem. Int. Ed. Engl. / PubMed:33616279 |
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手法 | X線回折 |
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解像度 | 2.499 - 2.984 Å |
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構造データ | PDB-6y99: hSTING mutant R232K in complex with 2',3'-cGAMP 手法: X-RAY DIFFRACTION / 解像度: 2.984 Å PDB-6ydb: Human wtSTING in complex with 2',2'-difluoro-3',3'-c-di-GMP 手法: X-RAY DIFFRACTION / 解像度: 2.801 Å PDB-6ydz: Human wtSTING in complex with 3',3'-cGAMP 手法: X-RAY DIFFRACTION / 解像度: 2.9 Å PDB-6yea: Human wtSTING in complex with 2',2'-difluoro-3',3'-cGAMP 手法: X-RAY DIFFRACTION / 解像度: 2.805 Å PDB-6z0z: Human wtSTING in complex with 3',3'-c-(2'FdAMP-2'FdAMP) 手法: X-RAY DIFFRACTION / 解像度: 2.499 Å PDB-6z15: Human wtSTING in complex with 3',3'-c-di-AMP 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å |
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化合物 | ChemComp-GGF: 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{H}-purin-6-one / 3′-O,5′-O-[(2′-フルオロ-2′-デオキシグアノシン-3′-O,5′-O-ジイル)ビスホスフィニコ]-2′(以下略)
ChemComp-4BW: 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one / cGAMP
ChemComp-2BA: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 / c-di-AMP
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由来 | - homo sapiens (ヒト)
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キーワード | PROTEIN BINDING / innate immune system / receptor / complex / membrane protein / cyclic dinucleotide / STING / CDN / activator |
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