タイトル | Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation. |
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ジャーナル・号・ページ | Eur. J. Med. Chem., Vol. 248, Page 115051-115051, Year 2022 |
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掲載日 | 2022年10月24日 (構造データの登録日) |
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著者 | Calic, P.P.S. / Vinh, N.B. / Webb, C.T. / Malcolm, T.R. / Ngo, A. / Lowes, K. / Drinkwater, N. / McGowan, S. / Scammells, P.J. |
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リンク | Eur. J. Med. Chem. / PubMed:36634455 |
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手法 | X線回折 |
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解像度 | 1.6 - 1.9 Å |
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構造データ | PDB-8ewz: Plasmodium falciparum M1 in complex with inhibitor 9c 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-8ex3: Plasmodium falciparum M1 in complex with inhibitor 9aa 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-8eyd: Plasmodium falciparum M1 in complex with inhibitor 15ah 手法: X-RAY DIFFRACTION / 解像度: 1.83 Å PDB-8eye: Plasmodium falciparum M1 in complex with inhibitor 9aj 手法: X-RAY DIFFRACTION / 解像度: 1.83 Å PDB-8eyf: Plasmodium falciparum M1 in complex with inhibitor 15aa 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-8ez2: Plasmodium falciparum M1 in complex with inhibitor 15ag 手法: X-RAY DIFFRACTION / 解像度: 1.83 Å PDB-8ez4: Plasmodium falciparum M17 in complex with inhibitor 9aa 手法: X-RAY DIFFRACTION / 解像度: 1.89 Å |
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化合物 | ChemComp-X0I: (2R)-2-(cyclopentylcarbamamido)-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
ChemComp-X10: N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-N~2~-phenylglycinamide
ChemComp-X4O: N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(4-fluorophenyl)glycinamide
ChemComp-X4I: N~2~-(3,5-difluorophenyl)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]glycinamide
ChemComp-X4T: N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-phenylglycinamide
ChemComp-X68: N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(3-fluorophenyl)glycinamide
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由来 | ![](img/tx_eukaryote.gif) plasmodium falciparum (マラリア病原虫)
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キーワード | HYDROLASE/HYDROLASE inhibitor / Malaria / metalloaminopeptidase / inhibitor complex / HYDROLASE / HYDROLASE-HYDROLASE inhibitor complex |
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