タイトル | Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors. |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 57, Page 8664-, Year 2014 |
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掲載日 | 2014年4月14日 (構造データの登録日) |
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著者 | Hutton, J.A. / Goncalves, V. / Brannigan, J.A. / Paape, D. / Wright, M.H. / Waugh, T.M. / Roberts, S.M. / Bell, A.S. / Wilkinson, A.J. / Smith, D.F. ...Hutton, J.A. / Goncalves, V. / Brannigan, J.A. / Paape, D. / Wright, M.H. / Waugh, T.M. / Roberts, S.M. / Bell, A.S. / Wilkinson, A.J. / Smith, D.F. / Leatherbarrow, R.J. / Tate, E.W. |
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リンク | J. Med. Chem. / PubMed:25238611 |
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手法 | X線回折 |
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解像度 | 1.4 - 1.65 Å |
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構造データ | PDB-4cyn: Leishmania major N-myristoyltransferase in complex with an aminoacylpyrrolidine inhibitor (2b) 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-4cyo: Leishmania major N-myristoyltransferase in complex with a hybrid inhibitor (compound 21). 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-4cyp: Leishmania major N-myristoyltransferase in complex with a pyrrolidine inhibitor. 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-4cyq: Leishmania major N-myristoyltransferase in complex with a hybrid inhibitor (compound 45). 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å |
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化合物 | ChemComp-A6M: (3R)-3-amino-4-(4-chlorophenyl)-1-[(3R,4S)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
ChemComp-A62: (3R)-4-(4-chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-hydroxybutan-1-one
ChemComp-YAU: N-{2-chloro-5-[(3S,4R)-1-[(3R)-4-(4-chlorophenyl)-3-hydroxybutanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]phenyl}-2-(4-fluorophenyl)acetamide
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由来 | leishmania major (大形リーシュマニア)
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キーワード | TRANSFERASE / MYRISTOYLATION / INHIBITOR / DRUG DESIGN |
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