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 Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies.
ジャーナル・号・ページ	J. Med. Chem., Vol. 60, Page 4369-4385, Year 2017
掲載日	2017年2月27日 (構造データの登録日)
著者	Yeung, K.S. / Beno, B.R. / Parcella, K. / Bender, J.A. / Grant-Young, K.A. / Nickel, A. / Gunaga, P. / Anjanappa, P. / Bora, R.O. / Selvakumar, K. ...Yeung, K.S. / Beno, B.R. / Parcella, K. / Bender, J.A. / Grant-Young, K.A. / Nickel, A. / Gunaga, P. / Anjanappa, P. / Bora, R.O. / Selvakumar, K. / Rigat, K. / Wang, Y.K. / Liu, M. / Lemm, J. / Mosure, K. / Sheriff, S. / Wan, C. / Witmer, M. / Kish, K. / Hanumegowda, U. / Zhuo, X. / Shu, Y.Z. / Parker, D. / Haskell, R. / Ng, A. / Gao, Q. / Colston, E. / Raybon, J. / Grasela, D.M. / Santone, K. / Gao, M. / Meanwell, N.A. / Sinz, M. / Soars, M.G. / Knipe, J.O. / Roberts, S.B. / Kadow, J.F.
リンク	J. Med. Chem. / PubMed:28430437
手法	X線回折
解像度	2.06 - 2.95 Å
構造データ	PDB-5pzk: CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 2-(4-FLUOROPHENYL)-N-METHYL-6-[(METHYLSULFONYL)AMINO]-5-(PROPAN-2-YLOXY)-1-BENZOFURAN-3-CARBOXAMIDE 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-5pzl: CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 2-({3-[1-(2-CYCLOPROPYLETHYL)-6-FLUORO-4-HYDROXY-2-OXO-1,2-DIHYDROQUINOLIN-3-YL]-1,1-DIOXO-1,4-DIHYDRO-1LAMBDA~6~,2,4-BENZOTHIADIAZIN-7-YL}OXY)ACETAMIDE 手法: X-RAY DIFFRACTION / 解像度: 2.06 Å PDB-5pzm: CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 3-[2-(4-FLUOROPHENYL)-3-(METHYLCARBAMOYL)-1-BENZOFURAN-5-YL]BENZOIC ACID 手法: X-RAY DIFFRACTION / 解像度: 2.54 Å PDB-5pzn: CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(TERT-BUTYLCARBAMOYL)PHENYL]-2-(4-FLUOROPHENYL)-N-METHYL-1-BENZOFURAN-3-CARBOXAMIDE 手法: X-RAY DIFFRACTION / 解像度: 2.25 Å PDB-5pzo: CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE C316N IN COMPLEX WITH 2-(4-FLUOROPHENYL)-N-METHYL-5-[3-({2-METHYL-1-OXO-1-[(1,3,4-THIADIAZOL-2-YL)AMINO]PROPAN-2-YL}CARBAMOYL)PHENYL]-1-BENZOFURAN-3-CARBOXAMIDE 手法: X-RAY DIFFRACTION / 解像度: 2.8 Å PDB-5pzp: CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 4-FLUORO-2-(4-FLUOROPHENYL)-N-METHYL-5-(2-METHYL-5-{[1-(PYRIMIDIN-2-YL)CYCLOPROPYL]CARBAMOYL}PHENYL)-1-BENZOFURAN-3-CARBOXAMIDE (BMS-929075) 手法: X-RAY DIFFRACTION / 解像度: 2.95 Å
化合物	ChemComp-23E: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid ChemComp-2N5: 2-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-PG4: TETRAETHYLENE GLYCOL / テトラエチレングリコ-ル / 沈殿剤YM ChemComp-HOH: WATER ChemComp-8XV: 2-({3-[1-(2-cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl}oxy)acetamide ChemComp-8XS: 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid ChemComp-8XP: 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide ChemComp-8XM: 2-(4-fluorophenyl)-N-methyl-5-[3-({2-methyl-1-oxo-1-[(1,3,4-thiadiazol-2-yl)amino]propan-2-yl}carbamoyl)phenyl]-1-benzofuran-3-carboxamide ChemComp-8XJ*: 4-fluoro-2-(4-fluorophenyl)-N-methyl-5-(2-methyl-5-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide / 4-フルオロ-2-(4-フルオロフェニル)-N-メチル-5-[2-メチル-5-[[1-(2-ピリミジニル)シクロプロピ(以下略)
由来	hepatitis c virus genotype 1b (isolate con1) (C型肝炎ウイルス)
キーワード	TRANSFERASE / NS5B / POLYMERASE / HCV / FINGERS / PALM / THUMB