タイトル | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. |
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ジャーナル・号・ページ | Nat Commun, Vol. 7, Page 12777-12777, Year 2016 |
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掲載日 | 2011年3月17日 (構造データの登録日) |
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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. |
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リンク | Nat Commun / PubMed:27652979 |
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手法 | X線回折 |
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解像度 | 0.97 - 2.14 Å |
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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 |
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化合物 | ChemComp-5MZ: 3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline
ChemComp-53Z: 1-(4-aminobenzyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea
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-7B7: 1-(4-aminobenzyl)-3-{2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea
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由来 | - homo sapiens (ヒト)
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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 |
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