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	Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
ジャーナル・号・ページ	Bioorg. Med. Chem. Lett., Vol. 29, Page 1023-1029, Year 2019
掲載日	2018年10月27日 (構造データの登録日)
著者	Francis, S. / Croft, D. / Schuttelkopf, A.W. / Parry, C. / Pugliese, A. / Cameron, K. / Claydon, S. / Drysdale, M. / Gardner, C. / Gohlke, A. ...Francis, S. / Croft, D. / Schuttelkopf, A.W. / Parry, C. / Pugliese, A. / Cameron, K. / Claydon, S. / Drysdale, M. / Gardner, C. / Gohlke, A. / Goodwin, G. / Gray, C.H. / Konczal, J. / McDonald, L. / Mezna, M. / Pannifer, A. / Paul, N.R. / Machesky, L. / McKinnon, H. / Bower, J.
リンク	Bioorg. Med. Chem. Lett. / PubMed:30773430
手法	X線回折
解像度	1.49 - 2.1 Å
構造データ	PDB-6i0z: CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 1 手法: X-RAY DIFFRACTION / 解像度: 1.77 Å PDB-6i10: CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 2 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-6i11: CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 3 手法: X-RAY DIFFRACTION / 解像度: 1.67 Å PDB-6i12: CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 5 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-6i13: CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 7 手法: X-RAY DIFFRACTION / 解像度: 1.79 Å PDB-6i14: CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 9 手法: X-RAY DIFFRACTION / 解像度: 1.73 Å PDB-6i15: CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 11 手法: X-RAY DIFFRACTION / 解像度: 1.91 Å PDB-6i16: CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 15 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-6i17: CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 24 手法: X-RAY DIFFRACTION / 解像度: 1.56 Å PDB-6i18: CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH BDP-13176 手法: X-RAY DIFFRACTION / 解像度: 1.49 Å
化合物	ChemComp-GZQ: ~{N}-(2,4-dichlorophenyl)-~{N}-methyl-ethanamide ChemComp-HOH: WATER ChemComp-GZK: 1-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-5-[(3,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one ChemComp-ACT: ACETATE ION / 酢酸イオン ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-H0H: ~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide ChemComp-H08: 2-[(4-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide ChemComp-H0Q: 2-[(3-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide ChemComp-GZN: 2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide ChemComp-GZT: 1-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-~{N}-methyl-2-oxidanylidene-pyridine-3-carboxamide ChemComp-H0B: 6-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-5-oxidanylidene-1,6-naphthyridine-8-carboxamide ChemComp-GZW: 2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-6-piperidin-4-yl-2,7-naphthyridine-4-carboxamide ChemComp-H0N: 5-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-1-piperidin-4-yl-~{N}-pyridin-4-yl-pyrazolo[4,3-c]pyridine-7-carboxamide
由来	homo sapiens (ヒト)
キーワード	STRUCTURAL PROTEIN / actin bundling / small molecule inhibition