タイトル | Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights. |
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ジャーナル・号・ページ | Febs J., Vol. 285, Page 3077-3096, Year 2018 |
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掲載日 | 2017年10月3日 (構造データの登録日) |
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著者 | Mishra, V. / Rathore, I. / Arekar, A. / Sthanam, L.K. / Xiao, H. / Kiso, Y. / Sen, S. / Patankar, S. / Gustchina, A. / Hidaka, K. ...Mishra, V. / Rathore, I. / Arekar, A. / Sthanam, L.K. / Xiao, H. / Kiso, Y. / Sen, S. / Patankar, S. / Gustchina, A. / Hidaka, K. / Wlodawer, A. / Yada, R.Y. / Bhaumik, P. |
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リンク | Febs J. / PubMed:29943906 |
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手法 | X線回折 |
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解像度 | 1.9 - 2.15 Å |
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構造データ | PDB-5yia: Crystal Structure of KNI-10343 bound Plasmepsin II (PMII) from Plasmodium falciparum 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-5yib: Crystal Structure of KNI-10743 bound Plasmepsin II (PMII) from Plasmodium falciparum 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å PDB-5yic: Crystal Structure of KNI-10333 bound Plasmepsin II (PMII) from Plasmodium falciparum 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-5yid: Crystal Structure of KNI-10395 bound Plasmepsin II (PMII) from Plasmodium falciparum 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-5yie: Crystal Structure of KNI-10742 bound Plasmepsin II (PMII) from Plasmodium falciparum 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å |
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化合物 | ChemComp-8V9: (4R)-3-[(2S,3S)-3-[[(2R)-2-[2-(4-hydroxyphenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide
ChemComp-CPS: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE / 可溶化剤*YM
ChemComp-8VC: (4R)-3-[(2S,3S)-3-[2-[4-[2-(dimethylamino)ethyl-methyl-amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide
ChemComp-8VO: (4R)-3-[(2S,3S)-3-[[(2R)-2-[2-(4-aminophenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide
ChemComp-K95: (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]ami
ChemComp-8VF: (4R)-3-[(2S,3S)-3-[2-[4-[2-azanylethyl(ethyl)amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide
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由来 | ![](img/tx_eukaryote.gif) plasmodium falciparum (マラリア病原虫)![](img/tx_eukaryote.gif) plasmodium falciparum (isolate 3d7) (マラリア病原虫)
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キーワード | HYDROLASE / Plasmepsin / Plasmepsin II / KNI-10343 / Aspartic Protease / Plasmodium falciparum / Drug Development / inhibitor / KNI-10743 / KNI-10333 / KNI-10395 / KNI-10742 |
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