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	Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
ジャーナル・号・ページ	Nat Commun, Vol. 9, Page 3169-3169, Year 2018
掲載日	2017年6月30日 (構造データの登録日)
著者	Quevedo, C.E. / Cruz-Migoni, A. / Bery, N. / Miller, A. / Tanaka, T. / Petch, D. / Bataille, C.J.R. / Lee, L.Y.W. / Fallon, P.S. / Tulmin, H. ...Quevedo, C.E. / Cruz-Migoni, A. / Bery, N. / Miller, A. / Tanaka, T. / Petch, D. / Bataille, C.J.R. / Lee, L.Y.W. / Fallon, P.S. / Tulmin, H. / Ehebauer, M.T. / Fernandez-Fuentes, N. / Russell, A.J. / Carr, S.B. / Phillips, S.E.V. / Rabbitts, T.H.
リンク	Nat Commun / PubMed:30093669
手法	X線回折
解像度	1.48 - 2.6 Å
構造データ	PDB-5ocg: Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method. 手法: X-RAY DIFFRACTION / 解像度: 1.48 Å PDB-5oco: Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method. 手法: X-RAY DIFFRACTION / 解像度: 1.66 Å PDB-5oct: Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method. 手法: X-RAY DIFFRACTION / 解像度: 2.07 Å PDB-6fa1: Antibody derived (Abd-4) small molecule binding to KRAS. 手法: X-RAY DIFFRACTION / 解像度: 1.97 Å PDB-6fa2: Antibody derived (Abd-5) small molecule binding to KRAS. 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å PDB-6fa3: Antibody derived (Abd-6) small molecule binding to KRAS. 手法: X-RAY DIFFRACTION / 解像度: 1.82 Å PDB-6fa4: Antibody derived (Abd-7) small molecule binding to KRAS. 手法: X-RAY DIFFRACTION / 解像度: 2.02 Å
化合物	ChemComp-MG: Unknown entry / マグネシウムジカチオン ChemComp-GNP: PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER / Gpp(NH)p / GppNHp, GMPPNP, エネルギー貯蔵分子類似体YM ChemComp-9R5: [(2~{R})-6-chloranyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-PEG: DI(HYDROXYETHYL)ETHER / ジエチレングリコ-ル ChemComp-HOH: WATER ChemComp-9RK: ~{N}-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]furan-2-carboxamide ChemComp-CIT: CITRIC ACID / クエン酸 ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-D2Z: 2-[4-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenoxy]ethyl-dimethyl-azanium ChemComp-D2W: 4-[2-(dimethylamino)ethoxy]-~{N}-[[(3~{R})-5-(6-methoxypyridin-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide ChemComp-D1Z: ~{N}-[[(3~{R})-5-[5-[[3-[(dimethylamino)methyl]phenyl]amino]-6-methoxy-pyridin-2-yl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide ChemComp-D1W: 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-pyridin-3-amine
由来	homo sapiens (ヒト)
キーワード	HYDROLASE / Domain antibodies / small molecules / drug fragment screening / ONCOPROTEIN / Abd-4 / inhibitor / KRAS / Abd-5