タイトル | Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions. |
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ジャーナル・号・ページ | Eur. J. Med. Chem., Vol. 110, Page 43-64, Year 2016 |
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掲載日 | 2015年5月19日 (構造データの登録日) |
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著者 | Drinkwater, N. / Vinh, N.B. / Mistry, S.N. / Bamert, R.S. / Ruggeri, C. / Holleran, J.P. / Loganathan, S. / Paiardini, A. / Charman, S.A. / Powell, A.K. ...Drinkwater, N. / Vinh, N.B. / Mistry, S.N. / Bamert, R.S. / Ruggeri, C. / Holleran, J.P. / Loganathan, S. / Paiardini, A. / Charman, S.A. / Powell, A.K. / Avery, V.M. / McGowan, S. / Scammells, P.J. |
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リンク | Eur. J. Med. Chem. / PubMed:26807544 |
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手法 | X線回折 |
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解像度 | 1.8 - 2.7 Å |
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構造データ | PDB-4zw3: X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9b 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-4zw5: X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9f 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-4zw6: X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9q 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-4zw7: X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9m 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-4zw8: X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9r 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-4zx3: X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10b 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-4zx4: X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10o 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-4zx5: X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10q 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-4zx6: X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10s 手法: X-RAY DIFFRACTION / 解像度: 2.05 Å PDB-4zx8: X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 9b 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å PDB-4zx9: X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10b 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å PDB-4zy0: X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10q 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-4zy1: X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10r 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-4zy2: X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10o 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-4zyq: X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10s 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å |
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化合物 | ChemComp-4S9: tert-butyl [(1S)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate
ChemComp-4SA: tert-butyl [(1S)-1-(biphenyl-4-yl)-2-(hydroxyamino)-2-oxoethyl]carbamate
ChemComp-4SY: tert-butyl {(1S)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}carbamate
ChemComp-4SZ: tert-butyl [(1S)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]carbamate
ChemComp-4T2: tert-butyl {(1S)-2-(hydroxyamino)-1-[3'-(N'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}carbamate
ChemComp-4TK: N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
ChemComp-4TL: N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide
ChemComp-4TM: N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide
ChemComp-4U6: N-{(1R)-2-(hydroxyamino)-1-[3'-(N'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide
ChemComp-4TY: tert-butyl [(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate
ChemComp-4U5: N-{(1R)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}-2,2-dimethylpropanamide
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由来 | ![](img/tx_eukaryote.gif) plasmodium falciparum (isolate fcb1 / columbia) (マラリア病原虫)![](img/tx_eukaryote.gif) plasmodium falciparum (マラリア病原虫)![](img/tx_eukaryote.gif) plasmodium falciparum fcb1/columbia (マラリア病原虫)
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キーワード | HYDROLASE/HYDROLASE inhibitor / M1 ALANYL-AMINOPEPTIDASE / PROTEASE / INHIBITOR / HYDROXAMIC ACID / HYDROLASE-HYDROLASE inhibitor complex / M17 LEUCYL-AMINOPEPTIDASE |
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