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	Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
ジャーナル・号・ページ	Nat Commun, Vol. 7, Page 12777-12777, Year 2016
掲載日	2011年3月17日 (構造データの登録日)
著者	Ahmed-Belkacem, A. / Colliandre, L. / Ahnou, N. / Nevers, Q. / Gelin, M. / Bessin, Y. / Brillet, R. / Cala, O. / Douguet, D. / Bourguet, W. ...Ahmed-Belkacem, A. / Colliandre, L. / Ahnou, N. / Nevers, Q. / Gelin, M. / Bessin, Y. / Brillet, R. / Cala, O. / Douguet, D. / Bourguet, W. / Krimm, I. / Pawlotsky, J.M. / Guichou, J.F.
リンク	Nat Commun / PubMed:27652979
手法	X線回折
解像度	0.97 - 2.14 Å
構造データ	PDB-3r49: Human cyclophilin D complexed with quinolin-8-amine 手法: X-RAY DIFFRACTION / 解像度: 1.77 Å PDB-3r4g: Human Cyclophilin D Complexed with a Fragment 手法: X-RAY DIFFRACTION / 解像度: 1.05 Å PDB-3r54: Human Cyclophilin D Complexed with a Fragment 手法: X-RAY DIFFRACTION / 解像度: 1.35 Å PDB-3r56: Human Cyclophilin D Complexed with a Fragment 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-3r57: Human Cyclophilin D Complexed with a Fragment 手法: X-RAY DIFFRACTION / 解像度: 1.71 Å PDB-3r59: Human Cyclophilin D Complexed with a Fragment 手法: X-RAY DIFFRACTION / 解像度: 1.1 Å PDB-3rcf: Human cyclophilin D complexed with N-[(4-aminophenyl)sulfonyl]benzamide 手法: X-RAY DIFFRACTION / 解像度: 1.15 Å PDB-3rcg: Human cyclophilin D complexed with dimethylformamide 手法: X-RAY DIFFRACTION / 解像度: 0.97 Å PDB-3rci: Human cyclophilin D complexed with 5-methyl-1,2-oxazol-3-amine 手法: X-RAY DIFFRACTION / 解像度: 1.44 Å PDB-3rck: Human Cyclophilin D Complexed with a Fragment 手法: X-RAY DIFFRACTION / 解像度: 1.26 Å PDB-3rcl: Human Cyclophilin D Complexed with a Fragment 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-3rd9: Human Cyclophilin D Complexed with a Fragment 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-3rda: Human Cyclophilin D Complexed with a Fragment 手法: X-RAY DIFFRACTION / 解像度: 1.07 Å PDB-3rdb: Human Cyclophilin D Complexed with a Fragment 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-3rdd: Human Cyclophilin A Complexed with an Inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.14 Å PDB-4j58: Human Cyclophilin D Complexed with an Inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.28 Å PDB-4j59: Human Cyclophilin D Complexed with an Inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.92 Å PDB-4j5b: Human Cyclophilin D Complexed with an Inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.01 Å PDB-4j5c: Human Cyclophilin D Complexed with an Inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.03 Å PDB-4j5d: Human Cyclophilin D Complexed with an Inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.32 Å PDB-4j5e: Human Cyclophilin D Complexed with an Inhibitor 手法: X-RAY DIFFRACTION / 解像度: 0.99 Å
化合物	ChemComp-Q8A: quinolin-8-amine ChemComp-HOH: WATER ChemComp-4SO: 4-sulfamoylbenzoic acid ChemComp-GOL: GLYCEROL ChemComp-FP6: pyrrolidine-1-carbaldehyde ChemComp-P33: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL / 沈殿剤YM ChemComp-6AI: 1H-indazol-6-amine ChemComp-NA: Unknown entry ChemComp-N3M: N-(3-aminophenyl)acetamide ChemComp-3AO: 1-(3-aminophenyl)ethanone ChemComp-BS4: N-[(4-aminophenyl)sulfonyl]benzamide ChemComp-DMF: DIMETHYLFORMAMIDE ChemComp-CL: Unknown entry ChemComp-M3I: 5-methyl-1,2-oxazol-3-amine ChemComp-1FP: piperazine-1-carbaldehyde ChemComp-5AO: 3-(1,3-oxazol-5-yl)aniline ChemComp-P4C: O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL ChemComp-MSY: 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide ChemComp-PEG: DI(HYDROXYETHYL)ETHER ChemComp-MIO: 3-methyl-1,2-oxazol-5-amine ChemComp-5MZ: 3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline ChemComp-EA4: ethyl N-[(4-aminobenzyl)carbamoyl]glycinate ChemComp-53Z: 1-(4-aminobenzyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea ChemComp-PO4: PHOSPHATE ION ChemComp-671: 1-(4-aminobenzyl)-3-{2-[(2R)-2-(naphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl}urea ChemComp-6B4: 1-(4-aminobenzyl)-3-(2-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-2-oxoethyl)urea ChemComp-7I6: 1-(4-aminobenzyl)-3-[(2S)-4-(methylsulfanyl)-1-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-1-oxobutan-2-yl]urea ChemComp-728: 1-(4-aminobenzyl)-3-{2-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl}urea ChemComp-7B7*: 1-(4-aminobenzyl)-3-{2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea
由来	homo sapiens (ヒト)
キーワード	ISOMERASE/ISOMERASE INHIBITOR / beta barrel / prolyl cis/trans isomerase / mitochondria / inhibitor / ISOMERASE-ISOMERASE INHIBITOR complex / cytosolic / Isomerase/Isomerase Inhibitor complex / Isomerase-Isomerase Inhibitor complex complex