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	FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
ジャーナル・号・ページ	Acta Crystallogr D Struct Biol, Vol. 77, Page 799-808, Year 2021
掲載日	2020年9月23日 (構造データの登録日)
著者	Lima, G.M.A. / Jagudin, E. / Talibov, V.O. / Benz, L.S. / Marullo, C. / Barthel, T. / Wollenhaupt, J. / Weiss, M.S. / Mueller, U.
リンク	Acta Crystallogr D Struct Biol / PubMed:34076593
手法	X線回折
解像度	1.02 - 1.98 Å
構造データ	PDB-5roc: PanDDA analysis group deposition -- Proteinase K crystal structure Apo65 手法: X-RAY DIFFRACTION / 解像度: 1.523 Å PDB-5rod: PanDDA analysis group deposition -- Proteinase K crystal structure Apo71 手法: X-RAY DIFFRACTION / 解像度: 1.04 Å PDB-5roe: PanDDA analysis group deposition -- Proteinase K crystal structure Apo6 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-5rof: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen C11a 手法: X-RAY DIFFRACTION / 解像度: 1.08 Å PDB-5rog: PanDDA analysis group deposition -- Proteinase K crystal structure Apo51 手法: X-RAY DIFFRACTION / 解像度: 1.08 Å PDB-5roh: PanDDA analysis group deposition -- Proteinase K crystal structure Apo61 手法: X-RAY DIFFRACTION / 解像度: 1.04 Å PDB-5roi: PanDDA analysis group deposition -- Proteinase K crystal structure Apo30 手法: X-RAY DIFFRACTION / 解像度: 1.05 Å PDB-5roj: PanDDA analysis group deposition -- Proteinase K crystal structure Apo59 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-5rok: PanDDA analysis group deposition -- Proteinase K crystal structure Apo37 手法: X-RAY DIFFRACTION / 解像度: 1.04 Å PDB-5rol: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen B5a 手法: X-RAY DIFFRACTION / 解像度: 1.22 Å PDB-5rom: PanDDA analysis group deposition -- Proteinase K crystal structure Apo45 手法: X-RAY DIFFRACTION / 解像度: 1.07 Å PDB-5ron: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen E4a 手法: X-RAY DIFFRACTION / 解像度: 1.22 Å PDB-5roo: PanDDA analysis group deposition -- Proteinase K crystal structure Apo73 手法: X-RAY DIFFRACTION / 解像度: 1.41 Å PDB-5rop: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen A12a at Room Temperature 手法: X-RAY DIFFRACTION / 解像度: 1.64 Å PDB-5roq: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen A12a 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-5ror: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen F1a 手法: X-RAY DIFFRACTION / 解像度: 1.22 Å PDB-5ros: PanDDA analysis group deposition -- Proteinase K crystal structure Apo34 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å PDB-5rot: PanDDA analysis group deposition -- Proteinase K crystal structure Apo1 手法: X-RAY DIFFRACTION / 解像度: 1.05 Å PDB-5rou: PanDDA analysis group deposition -- Proteinase K crystal structure Apo72 手法: X-RAY DIFFRACTION / 解像度: 1.06 Å PDB-5rov: PanDDA analysis group deposition -- Proteinase K crystal structure Apo62 手法: X-RAY DIFFRACTION / 解像度: 1.04 Å PDB-5row: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen F6a 手法: X-RAY DIFFRACTION / 解像度: 1.21 Å PDB-5rox: PanDDA analysis group deposition -- Proteinase K crystal structure Apo24 手法: X-RAY DIFFRACTION / 解像度: 1.12 Å PDB-5roy: PanDDA analysis group deposition -- Proteinase K crystal structure Apo22 手法: X-RAY DIFFRACTION / 解像度: 1.05 Å PDB-5roz: PanDDA analysis group deposition -- Proteinase K crystal structure Apo41 手法: X-RAY DIFFRACTION / 解像度: 1.14 Å PDB-5rp0: PanDDA analysis group deposition -- Proteinase K crystal structure Apo57 手法: X-RAY DIFFRACTION / 解像度: 1.03 Å PDB-5rp1: PanDDA analysis group deposition -- Proteinase K crystal structure Apo36 手法: X-RAY DIFFRACTION / 解像度: 1.11 Å PDB-5rp2: PanDDA analysis group deposition -- Proteinase K crystal structure Apo20 手法: X-RAY DIFFRACTION / 解像度: 1.1 Å PDB-5rp3: PanDDA analysis group deposition -- Proteinase K crystal structure Apo14 手法: X-RAY DIFFRACTION / 解像度: 1.09 Å PDB-5rp4: PanDDA analysis group deposition -- Proteinase K crystal structure Apo70 手法: X-RAY DIFFRACTION / 解像度: 1.05 Å PDB-5rp5: PanDDA analysis group deposition -- Proteinase K crystal structure Apo48 手法: X-RAY DIFFRACTION / 解像度: 1.09 Å PDB-5rp6: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen C2a 手法: X-RAY DIFFRACTION / 解像度: 1.17 Å PDB-5rp7: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen D12a 手法: X-RAY DIFFRACTION / 解像度: 1.15 Å PDB-5rp8: PanDDA analysis group deposition -- Proteinase K crystal structure Apo46 手法: X-RAY DIFFRACTION / 解像度: 1.03 Å PDB-5rp9: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen B7a 手法: X-RAY DIFFRACTION / 解像度: 1.48 Å PDB-5rpa: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen E3a 手法: X-RAY DIFFRACTION / 解像度: 1.25 Å PDB-5rpb: PanDDA analysis group deposition -- Proteinase K crystal structure Apo68 手法: X-RAY DIFFRACTION / 解像度: 1.64 Å PDB-5rpc: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen H3a 手法: X-RAY DIFFRACTION / 解像度: 1.23 Å PDB-5rpd: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen F12a 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-5rpe: PanDDA analysis group deposition -- Proteinase K crystal structure Apo40 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-5rpf: PanDDA analysis group deposition -- Proteinase K crystal structure Apo27 手法: X-RAY DIFFRACTION / 解像度: 1.39 Å PDB-5rpg: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen H2a 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-5rph: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen A11a 手法: X-RAY DIFFRACTION / 解像度: 1.38 Å PDB-5rpi: PanDDA analysis group deposition -- Proteinase K crystal structure Apo26 手法: X-RAY DIFFRACTION / 解像度: 1.03 Å PDB-5rpj: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen B12a 手法: X-RAY DIFFRACTION / 解像度: 1.27 Å PDB-5rpk: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen B9a 手法: X-RAY DIFFRACTION / 解像度: 1.78 Å PDB-5rpl: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen C8a 手法: X-RAY DIFFRACTION / 解像度: 1.09 Å PDB-5rpm: PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen H5a 手法: X-RAY DIFFRACTION / 解像度: 1.22 Å PDB-5rpn: PanDDA analysis group deposition -- Proteinase K crystal structure Apo64 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-5rpo: PanDDA analysis group deposition -- Proteinase K crystal structure Apo7 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-5rpp: PanDDA analysis group deposition -- Proteinase K crystal structure Apo44 手法: X-RAY DIFFRACTION / 解像度: 1.08 Å PDB-5rpq: PanDDA analysis group deposition -- Proteinase K crystal structure Apo32 手法: X-RAY DIFFRACTION / 解像度: 1.07 Å PDB-5rpr: PanDDA analysis group deposition -- Proteinase K crystal structure Apo15 手法: X-RAY DIFFRACTION / 解像度: 1.16 Å PDB-5rps: PanDDA analysis group deposition -- Proteinase K crystal structure Apo60 手法: X-RAY DIFFRACTION / 解像度: 1.04 Å PDB-5rpt: PanDDA analysis group deposition -- Proteinase K crystal structure Apo9 手法: X-RAY DIFFRACTION / 解像度: 1.98 Å PDB-5rpu: PanDDA analysis group deposition -- Proteinase K crystal structure Apo67 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-5rpv: PanDDA analysis group deposition -- Proteinase K crystal structure Apo35 手法: X-RAY DIFFRACTION / 解像度: 1.1 Å PDB-5rpw: PanDDA analysis group deposition -- Proteinase K crystal structure Apo63 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-5rpx: PanDDA analysis group deposition -- Proteinase K crystal structure Apo43 手法: X-RAY DIFFRACTION / 解像度: 1.05 Å PDB-5rpy: PanDDA analysis group deposition -- Proteinase K crystal structure Apo10 手法: X-RAY DIFFRACTION / 解像度: 1.09 Å PDB-5rpz: PanDDA analysis group deposition -- Proteinase K crystal structure Apo58 手法: X-RAY DIFFRACTION / 解像度: 1.22 Å
化合物	ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-HOH: WATER ChemComp-4AQ: 2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine ChemComp-47S: 3-(dimethylamino)benzohydrazide ChemComp-483: 2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide ChemComp-47E: (2R)-(3-chlorophenyl)(hydroxy)ethanoic acid / 3-クロロ-D-マンデル酸 ChemComp-NCA: NICOTINAMIDE / ニコチンアミド / 薬剤YM ChemComp-CLW: CHLORZOXAZONE / クロルゾキサゾン ChemComp-46P: 4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine ChemComp-F91: N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine ChemComp-YEY: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole ChemComp-47Y: 3-[(4E)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4H)-yl]-N,N-dimethylpropan-1-amine ChemComp-W9J: N-carbamoyl-L-methionine / N-カルバモイル-L-メチオニン ChemComp-GGB: L-CANAVANINE / カナバニン ChemComp-AMH: TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID / トラネキサム酸 / 薬剤YM ChemComp-L2K: 3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine ChemComp-479: 4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide ChemComp-MRZ: piperidine-1-carboximidamide / ピペリジン-1-カルボアミジン ChemComp-8G2: (4-methoxycarbonylphenyl)methylazanium / 4-(アミニオメチル)安息香酸メチル ChemComp-HBD: 4-HYDROXYBENZAMIDE / 4-ヒドロキシベンズアミド
由来	parengyodontium album (菌類)
キーワード	HYDROLASE / FragMAX / FragMAXapp / fragment screening / inhibition