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	Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
ジャーナル・号・ページ	J. Med. Chem., Vol. 60, Page 9090-9096, Year 2017
掲載日	2016年6月14日 (構造データの登録日)
著者	Harding, R.J. / Ferreira de Freitas, R. / Collins, P. / Franzoni, I. / Ravichandran, M. / Ouyang, H. / Juarez-Ornelas, K.A. / Lautens, M. / Schapira, M. / von Delft, F. ...Harding, R.J. / Ferreira de Freitas, R. / Collins, P. / Franzoni, I. / Ravichandran, M. / Ouyang, H. / Juarez-Ornelas, K.A. / Lautens, M. / Schapira, M. / von Delft, F. / Santhakumar, V. / Arrowsmith, C.H.
リンク	J. Med. Chem. / PubMed:29019676
手法	X線回折
解像度	1.05 - 1.7 Å
構造データ	PDB-5b8d: Crystal structure of a low occupancy fragment candidate (N-(4-Methyl-1,3-thiazol-2-yl)propanamide) bound adjacent to the ubiquitin binding pocket of the HDAC6 zinc-finger domain 手法: X-RAY DIFFRACTION / 解像度: 1.05 Å PDB-5kh3: Crystal structure of fragment (3-(5-Chloro-1,3-benzothiazol-2-yl)propanoic acid) bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-5kh7: Crystal structure of fragment (3-[6-Oxo-3-(3-pyridinyl)-1(6H)-pyridazinyl]propanoic acid) bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-5kh9: Crystal structure of a low occupancy fragment candidate (5-[(4-Isopropylphenyl)amino]-6-methyl-1,2,4-triazin-3(2H)-one) bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain 手法: X-RAY DIFFRACTION / 解像度: 1.07 Å PDB-5wpb: Crystal structure of fragment 3-(3-(pyridin-2-ylmethoxy)quinoxalin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å
化合物	ChemComp-ZN: Unknown entry ChemComp-FMT: FORMIC ACID / ギ酸 ChemComp-6T4: ~{N}-(4-methyl-1,3-thiazol-2-yl)ethanamide / 2-(アセチルアミノ)-4-メチルチアゾ-ル ChemComp-UNX: Unknown entry ChemComp-NA: Unknown entry / ナトリウムカチオン ChemComp-HOH: WATER ChemComp-6U6: 3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid ChemComp-6T7: 3-(6-oxidanylidene-3-pyridin-3-yl-pyridazin-1-yl)propanoic acid ChemComp-6T5: 6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{H}-1,2,4-triazin-3-one ChemComp-B8P: 3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid
由来	homo sapiens (ヒト)
キーワード	HYDROLASE / HISTONE DEACETYLASE / HDAC / HDAC6 / FRAGMENT SCREENING / STRUCTURAL GENOMICS CONSORTIUM / SGC / DIAMOND I04-1 XCHEM / PANDDA / hydrolase/hydrolase inhibitor / hydrolase-hydrolase inhibitor complex