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 a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate.
ジャーナル・号・ページ	Bioorg. Med. Chem., Vol. 20, Page 5313-, Year 2010
掲載日	2010年4月15日 (構造データの登録日)
著者	Anselm, L. / Banner, D.W. / Benz, J. / Groebke Zbinden, K. / Himber, J. / Hilpert, H. / Huber, W. / Kuhn, B. / Mary, J.L. / Otteneder, M.B. ...Anselm, L. / Banner, D.W. / Benz, J. / Groebke Zbinden, K. / Himber, J. / Hilpert, H. / Huber, W. / Kuhn, B. / Mary, J.L. / Otteneder, M.B. / Panday, N. / Ricklin, F. / Stahl, M. / Thomi, S. / Haap, W.
リンク	Bioorg. Med. Chem. / PubMed:20650636
手法	X線回折
解像度	1.66 - 2.05 Å
構造データ	PDB-2xbv: Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.66 Å PDB-2xbw: Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.72 Å PDB-2xbx: Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-2xby: Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.02 Å PDB-2xc0: Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.05 Å PDB-2xc4: Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.67 Å PDB-2xc5: Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å
化合物	ChemComp-XBV: (3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(5-CHLORO-PYRIDIN-2-YL)-AMIDE]-4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE} ChemComp-CA: Unknown entry / カルシウムジカチオン ChemComp-NA: Unknown entry / ナトリウムカチオン ChemComp-HOH: WATER ChemComp-455: (3R,4R)-1-SULFAMOYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE} ChemComp-RR8: (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE} ChemComp-63C: (3R,4R)-1-METHYLCARBAMOYLMETHYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE} ChemComp-8NC: (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4--DICARBOXYLIC ACID 3-[(3-FLUORO-4-METHOXY-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE} ChemComp-IVK: (3R,4R)-N-(4-CHLOROPHENYL)-N'-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-1-(2,2,2-TRIFLUOROETHYL)PYRROLIDINE-3,4-DICARBOXAMIDE ChemComp-OYJ: (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-3-FLUORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}
由来	homo sapiens (ヒト)
キーワード	BLOOD CLOTTING / COAGULATION FACTOR / HYDROLASE / HYDROXYLATION / SERINE PROTEASE / ZYMOGEN / COAGULATION / EGF-LIKE DOMAIN / GAMMA-CARBOXYGLUTAMIC ACID