EMDB/PDB/SASBDBから引用されている文献のデータベース

キーワード
構造解析手法	All X線回折 NMR 電子顕微鏡小角散乱中性子線回折線維回折粉末回折赤外分光 EPR FRET 理論モデルハイブリッド
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

タイトル	Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
ジャーナル・号・ページ	Proc. Natl. Acad. Sci. U.S.A., Vol. 116, Page 2551-2560, Year 2019
掲載日	2017年8月28日 (構造データの登録日)
著者	Hillig, R.C. / Sautier, B. / Schroeder, J. / Moosmayer, D. / Hilpmann, A. / Stegmann, C.M. / Werbeck, N.D. / Briem, H. / Boemer, U. / Weiske, J. ...Hillig, R.C. / Sautier, B. / Schroeder, J. / Moosmayer, D. / Hilpmann, A. / Stegmann, C.M. / Werbeck, N.D. / Briem, H. / Boemer, U. / Weiske, J. / Badock, V. / Mastouri, J. / Petersen, K. / Siemeister, G. / Kahmann, J.D. / Wegener, D. / Bohnke, N. / Eis, K. / Graham, K. / Wortmann, L. / von Nussbaum, F. / Bader, B.
リンク	Proc. Natl. Acad. Sci. U.S.A. / PubMed:30683722
手法	X線回折
解像度	1.85 - 2.72 Å
構造データ	PDB-5ovd: Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in new crystal form 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-5ove: Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor compound 1 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-5ovf: Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor compound 17 手法: X-RAY DIFFRACTION / 解像度: 2.01 Å PDB-5ovg: Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor compound 18 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-5ovh: Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor compound 21 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-5ovi: Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor BAY-293 (compound 23) 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-6eie: Ras guanine nucleotide exchange factor SOS2 (Rem-cdc25), with surface mutations 手法: X-RAY DIFFRACTION / 解像度: 2.72 Å PDB-6epl: Ras guanine exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C) 手法: X-RAY DIFFRACTION / 解像度: 2.55 Å PDB-6epm: Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C) and fragment screening hit F1 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-6epn: Ras guanine exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C) and fragment screening hit F2 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-6epo: RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F3 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-6epp: RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F4 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å
化合物	ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-HOH: WATER ChemComp-AXE: 6,7-dimethoxy-~{N}-[(1~{R})-1-naphthalen-1-ylethyl]quinazolin-4-amine ChemComp-AWT: 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(1~{H}-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine ChemComp-AWZ: ~{N}-[(1~{R})-1-[5-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-3-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine ChemComp-AWW: [2-[5-[(1~{R})-1-[(6,7-dimethoxy-2-methyl-5,8-dihydroquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methanol ChemComp-AXH: 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-BQ5: (1-phenyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)methanamine ChemComp-BQ2: 1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-ethanone ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-BPW: 3-(4-chlorophenyl)propan-1-amine ChemComp-BOQ*: ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate
由来	homo sapiens (ヒト)
キーワード	SIGNALING PROTEIN / Guanine exchange factor / GEF / inhibitor / SOS1 / SOS2 / Guanine nucleotide exchange factor / GTPASE / surface mutation / Fragment Screen