EMDB/PDB/SASBDBから引用されている文献のデータベース

キーワード
構造解析手法	All X線回折 NMR 電子顕微鏡小角散乱中性子線回折線維回折粉末回折赤外分光 EPR FRET 理論モデルハイブリッド
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

タイトル	Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
ジャーナル・号・ページ	J. Med. Chem., Vol. 63, Page 7740-7765, Year 2020
掲載日	2019年1月1日 (構造データの登録日)
著者	Bell, A.S. / Yu, Z. / Hutton, J.A. / Wright, M.H. / Brannigan, J.A. / Paape, D. / Roberts, S.M. / Sutherell, C.L. / Ritzefeld, M. / Wilkinson, A.J. ...Bell, A.S. / Yu, Z. / Hutton, J.A. / Wright, M.H. / Brannigan, J.A. / Paape, D. / Roberts, S.M. / Sutherell, C.L. / Ritzefeld, M. / Wilkinson, A.J. / Smith, D.F. / Leatherbarrow, R.J. / Tate, E.W.
リンク	J. Med. Chem. / PubMed:32575985
手法	X線回折
解像度	1.4 - 1.98 Å
構造データ	PDB-6qd9: Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000065 手法: X-RAY DIFFRACTION / 解像度: 1.46 Å PDB-6qda: Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000811 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-6qdb: Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000081 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-6qdc: Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000101 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-6qdd: Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000105 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-6qde: Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000877 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å PDB-6qdf: Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000096 手法: X-RAY DIFFRACTION / 解像度: 1.49 Å PDB-6qdg: Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000169 手法: X-RAY DIFFRACTION / 解像度: 1.98 Å PDB-6qdh: Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000906 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å
化合物	ChemComp-MYA: TETRADECANOYL-COA / ミリストイルCoA ChemComp-HWT: 3-[[2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile ChemComp-MG: Unknown entry / マグネシウムジカチオン ChemComp-HOH: WATER ChemComp-HWZ: 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile ChemComp-HWQ: 3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile ChemComp-HXE: 3-[[2-[(1-ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-HXW: 2-[(2~{S})-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]-2,3-dihydropyrrol-2-yl]ethanenitrile ChemComp-HWW: 3-[[6-~{tert}-butyl-2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile ChemComp-HWN: 3-[[6-tert-butyl-2-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile ChemComp-HXN: 3-[[6-bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile ChemComp-HXQ: 4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-~{N}-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide ChemComp-HZ5: ~{N}-(1,3,5-trimethylpyrazol-4-yl)methanesulfonamide ChemComp-HZ8*: ~{N}4-ethyl-~{N}2,~{N}4-dimethyl-~{N}2-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
由来	leishmania major (大形リーシュマニア)
キーワード	TRANSFERASE / myristoylation / benzothiophene / Leishmania / quinazoline