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	PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening
ジャーナル・号・ページ	To Be Published
掲載日	2020年2月11日 (構造データの登録日)
著者	Snee, M. / Talon, R. / Fowley, D. / Collins, P. / Nelson, A. / Arrowsmith, C.H. / Bountra, C. / Edwards, A. / Von-Delft, F.
リンク	PubMedで検索
手法	X線回折
解像度	1.41 - 1.89 Å
構造データ	PDB-5qxi: PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC587 手法: X-RAY DIFFRACTION / 解像度: 1.64 Å PDB-5qxj: PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC578 手法: X-RAY DIFFRACTION / 解像度: 1.46 Å PDB-5qxk: PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC581 手法: X-RAY DIFFRACTION / 解像度: 1.72 Å PDB-5qxl: PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF776 手法: X-RAY DIFFRACTION / 解像度: 1.57 Å PDB-5qxm: PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF789 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-5qxn: PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF826 手法: X-RAY DIFFRACTION / 解像度: 1.41 Å PDB-5qxo: PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF848 手法: X-RAY DIFFRACTION / 解像度: 1.47 Å PDB-5qxp: PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with TCJ732 手法: X-RAY DIFFRACTION / 解像度: 1.41 Å PDB-5qxq: PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with TCJ779 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-5qxr: PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF849 手法: X-RAY DIFFRACTION / 解像度: 1.66 Å PDB-5qxs: PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF852 手法: X-RAY DIFFRACTION / 解像度: 1.62 Å PDB-5qxt: PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with JKH47 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-5qxu: PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with RZ373 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-5qxv: PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC631 手法: X-RAY DIFFRACTION / 解像度: 1.74 Å PDB-5qxw: PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with RZ189 手法: X-RAY DIFFRACTION / 解像度: 1.78 Å PDB-5qxx: PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with RZ99 手法: X-RAY DIFFRACTION / 解像度: 1.58 Å PDB-5qxy: PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with JKH93A 手法: X-RAY DIFFRACTION / 解像度: 1.54 Å PDB-5qxz: PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF853 手法: X-RAY DIFFRACTION / 解像度: 1.64 Å PDB-5qy0: PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC591 手法: X-RAY DIFFRACTION / 解像度: 1.89 Å PDB-5r4e: PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with RZ201 手法: X-RAY DIFFRACTION / 解像度: 1.83 Å
化合物	ChemComp-RGY: (4R,4aS,7aS,9S)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol ChemComp-TQS: (4R,4aR,7aS,9R)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol ChemComp-SO4: SULFATE ION / 硫酸ジアニオン / 硫酸塩 ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル / エチレングリコール ChemComp-HOH: WATER / 水 ChemComp-RGV: (3aS,8S,9aS)-10-methyl-4-oxo-1,4,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrole-2(3H)-carbaldehyde ChemComp-RGM: (3aS,8S,9aS)-2-acetyl-10-methyl-2,3,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrol-4(1H)-one ChemComp-RGD: cyclobutyl[(2S,3aS,6aS)-6a-(2-hydroxyethyl)-2-(hydroxymethyl)hexahydro-5H-furo[2,3-c]pyrrol-5-yl]methanone ChemComp-RHJ: cyclobutyl[(3aS,4R,5R,7S,8aS)-4,5-dihydroxyhexahydro-1H-3a,7-epoxycyclohepta[c]pyrrol-2(3H)-yl]methanone ChemComp-RHG: (3aR,8S,9aS)-2-[(trifluoromethyl)sulfonyl]decahydro-3a,8-epoxypyrrolo[3,4-c]azocine ChemComp-RH7: methyl (5aS,8aS,10S)-8,8a,9,10-tetrahydro-5H-5a,10-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-b]pyrazine-7(6H)-carboxylate ChemComp-RH4: methyl (2R)-3-(furan-2-yl)-2-(pyridin-4-yl)propanoate ChemComp-RHV: ethyl N-[(2R)-2-(4-methylpyridin-2-yl)propanoyl]glycinate ChemComp-RHY: 1-[(4aS,7aS,9S)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazol-6(5H)-yl]ethan-1-one ChemComp-RJ4: (4aR,7aR,9R)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5H)-carbaldehyde ChemComp-RJ7: ethyl (2S,3S)-2-fluoro-3-hydroxy-3-(pyridin-3-yl)propanoate ChemComp-RJD: (3S,6S)-N~3~-cyclopropyl-N~1~-(cyclopropylmethyl)-3,6-dimethylpiperazine-1,3-dicarboxamide ChemComp-RJG: (3aR,10R,10aR,11aR)-1,2,3,5,10,10a,11,11a-octahydro-3a,10-ethanopyrrolo[3',4':4,5]pyrrolo[1,2-b]isoquinolin-13-one ChemComp-RJJ: (5R)-N-benzyl-5-ethyl-1-methyl-1,4-diazepane-5-carboxamide ChemComp-RK1: (7R)-N-benzyl-1,7-diethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine-7-carboxamide ChemComp-RK7: ethyl (2R,3S)-3-(5-bromopyridin-2-yl)-2-fluoro-3-hydroxypropanoate ChemComp-RKG: methyl (4aS,7aS,9S)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5H)-carboxylate ChemComp-RKJ: (4R,4aS,7aS,9S)-6-ethyl-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol ChemComp-RQP: (5R)-5-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione
由来	homo sapiens (ヒト)
キーワード	HYDROLASE/HYDROLASE INHIBITOR / SGC - Diamond I04-1 fragment screening / PanDDA / XChemExplorer / HYDROLASE-HYDROLASE INHIBITOR complex