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	Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
ジャーナル・号・ページ	Plos One, Vol. 10, Page 13705-, Year 2015
掲載日	2014年2月25日 (構造データの登録日)
著者	Fjellstrom, O. / Akkaya, S. / Beisel, H. / Eriksson, P. / Erixon, K. / Gustafsson, D. / Jurva, U. / Kang, D. / Karis, D. / Knecht, W. ...Fjellstrom, O. / Akkaya, S. / Beisel, H. / Eriksson, P. / Erixon, K. / Gustafsson, D. / Jurva, U. / Kang, D. / Karis, D. / Knecht, W. / Nerme, V. / Nilsson, I. / Olsson, T. / Redzic, A. / Roth, R. / Sandmark, J. / Tigerstrom, A. / Oster, L.
リンク	Plos One / PubMed:25629509
手法	X線回折
解像度	1.25 - 2.3 Å
構造データ	PDB-4cr5: Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-4cr9: Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-4cra: Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-4crb: Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-4crc: Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-4crd: Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-4cre: Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design 手法: X-RAY DIFFRACTION / 解像度: 1.73 Å PDB-4crf: Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-4crg: Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design 手法: X-RAY DIFFRACTION / 解像度: 1.25 Å
化合物	ChemComp-0TU: 6-chloroquinolin-2(1H)-one / 6-クロロキノリン-2(1H)-オン ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-HOH: WATER ChemComp-OTW: 4-methylquinoline-2,6-diamine ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-XJ8: N-[(1S)-2-[(2-amino-5-quinolyl)methylamino]-1-benzyl-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide ChemComp-7P0: N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide ChemComp-OTM: (2S)-2-[[(E)-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenyl-N-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]propanamide ChemComp-OTJ: Methyl N-[4-[5-chloro-2-[[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]methyl]-1H-imidazol-4-yl]phenyl]carbamate ChemComp-MVN: 6-chloro-4-methyl-1H-quinolin-2-one / 6-クロロ-4-メチル-2(1H)-キノリノン ChemComp-R9B: N-[(1S)-1-benzyl-2-[(6-chloro-2-oxo-1H-quinolin-4-yl)methylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carbo ChemComp-CL: Unknown entry / クロリド ChemComp-J4X: 6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide
由来	homo sapiens (ヒト)
キーワード	HYDROLASE