タイトル | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. |
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ジャーナル・号・ページ | Nat. Chem. Biol., Vol. 15, Page 822-829, Year 2019 |
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掲載日 | 2018年3月22日 (構造データの登録日) |
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著者 | Bottcher, J. / Dilworth, D. / Reiser, U. / Neumuller, R.A. / Schleicher, M. / Petronczki, M. / Zeeb, M. / Mischerikow, N. / Allali-Hassani, A. / Szewczyk, M.M. ...Bottcher, J. / Dilworth, D. / Reiser, U. / Neumuller, R.A. / Schleicher, M. / Petronczki, M. / Zeeb, M. / Mischerikow, N. / Allali-Hassani, A. / Szewczyk, M.M. / Li, F. / Kennedy, S. / Vedadi, M. / Barsyte-Lovejoy, D. / Brown, P.J. / Huber, K.V.M. / Rogers, C.M. / Wells, C.I. / Fedorov, O. / Rumpel, K. / Zoephel, A. / Mayer, M. / Wunberg, T. / Bose, D. / Zahn, S. / Arnhof, H. / Berger, H. / Reiser, C. / Hormann, A. / Krammer, T. / Corcokovic, M. / Sharps, B. / Winkler, S. / Haring, D. / Cockcroft, X.L. / Fuchs, J.E. / Mullauer, B. / Weiss-Puxbaum, A. / Gerstberger, T. / Boehmelt, G. / Vakoc, C.R. / Arrowsmith, C.H. / Pearson, M. / McConnell, D.B. |
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リンク | Nat. Chem. Biol. / PubMed:31285596 |
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手法 | X線回折 |
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解像度 | 1.432 - 2.8 Å |
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構造データ | PDB-6g24: X-ray structure of NSD3-PWWP1 in complex with compound 3 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-6g25: X-ray structure of NSD3-PWWP1 in complex with compound 4 手法: X-RAY DIFFRACTION / 解像度: 1.432 Å PDB-6g27: X-ray structure of NSD3-PWWP1 in complex with compound 5 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-6g29: X-ray structure of NSD3-PWWP1 in complex with compound 6 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-6g2b: X-ray structure of NSD3-PWWP1 in complex with compound 8 手法: X-RAY DIFFRACTION / 解像度: 1.61 Å PDB-6g2c: X-ray structure of NSD3-PWWP1 in complex with compound 9 手法: X-RAY DIFFRACTION / 解像度: 1.76 Å PDB-6g2e: X-ray structure of NSD3-PWWP1 in complex with compound 13 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-6g2f: X-ray structure of NSD3-PWWP1 in complex with compound 16 手法: X-RAY DIFFRACTION / 解像度: 1.74 Å PDB-6g2o: X-ray structure of NSD3-PWWP1 in complex with compound BI-9321 手法: X-RAY DIFFRACTION / 解像度: 1.81 Å PDB-6g3p: X-ray structure of seleno-methionine labelled NSD3-PWWP1 手法: X-RAY DIFFRACTION / 解像度: 2.8 Å PDB-6g3t: X-ray structure of NSD3-PWWP1 手法: X-RAY DIFFRACTION / 解像度: 2.53 Å |
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化合物 | ChemComp-EH2: 2-[(~{E})-2-thiophen-2-ylethenyl]benzoic acid
ChemComp-EHQ: 3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole
ChemComp-EHE: 5-methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-one
ChemComp-EHK: 5-methyl-2-piperidin-4-yl-6-pyridin-4-yl-pyridazin-3-one
ChemComp-EH8: 4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine
ChemComp-EHT: 3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole
ChemComp-EHH: [3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine
ChemComp-EHW: 4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-1,2-oxazole
ChemComp-EJE: [4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine
ChemComp-EPE: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / HEPES / pH緩衝剤*YM
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由来 | - homo sapiens (ヒト)
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キーワード | ONCOPROTEIN / Inhibitor / PWWP domain |
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