タイトル | PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy. |
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ジャーナル・号・ページ | Angew. Chem. Int. Ed. Engl., Vol. 59, Page 14861-14868, Year 2020 |
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掲載日 | 2020年1月21日 (構造データの登録日) |
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著者 | Platzer, G. / Mayer, M. / Beier, A. / Bruschweiler, S. / Fuchs, J.E. / Engelhardt, H. / Geist, L. / Bader, G. / Schorghuber, J. / Lichtenecker, R. ...Platzer, G. / Mayer, M. / Beier, A. / Bruschweiler, S. / Fuchs, J.E. / Engelhardt, H. / Geist, L. / Bader, G. / Schorghuber, J. / Lichtenecker, R. / Wolkerstorfer, B. / Kessler, D. / McConnell, D.B. / Konrat, R. |
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リンク | Angew. Chem. Int. Ed. Engl. / PubMed:32421895 |
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手法 | X線回折 |
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解像度 | 1.07 - 1.668 Å |
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構造データ | PDB-6xuz: CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 4 手法: X-RAY DIFFRACTION / 解像度: 1.07 Å PDB-6xv3: CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 3 手法: X-RAY DIFFRACTION / 解像度: 1.47 Å PDB-6xv7: CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 2 手法: X-RAY DIFFRACTION / 解像度: 1.668 Å PDB-6xvc: CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 1 手法: X-RAY DIFFRACTION / 解像度: 1.098 Å |
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化合物 | ChemComp-O1W: 6-[1-[(2~{S})-1-methoxypropan-2-yl]-6-[(3~{S})-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
ChemComp-O2B: 3-methyl-6-[6-[(3~{S})-3-methylmorpholin-4-yl]-1-[(1~{S})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
ChemComp-O2Q: ~{N}-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N},3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
ChemComp-O32: (4~{R})-4-[(1~{R})-1-[7-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
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由来 | homo sapiens (ヒト)
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キーワード | TRANSCRIPTION / BROMODOMAIN / INHIBITOR / COMPLEX |
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