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	Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
ジャーナル・号・ページ	To Be Published
掲載日	2024年4月27日 (構造データの登録日)
著者	Dunnett, L. / Prischi, F.
リンク	PubMedで検索
手法	X線回折
解像度	1.39 - 1.8 Å
構造データ	PDB-9f4d: UP1 in complex with Z1203107138 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-9f4e: UP1 in complex with Z1152242726 手法: X-RAY DIFFRACTION / 解像度: 1.57 Å PDB-9f4f: UP1 in complex with Z86417414 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-9f4g: UP1 in complex with Z1373445602 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-9f4h: UP1 in complex with Z106579662 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-9f4j: UP1 in complex with Z416341642 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-9f4k: UP1 in complex with ZINC72259689 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-9f4l: UP1 in complex with Z104584152 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-9f4m: UP1 in complex with Z1401276297 手法: X-RAY DIFFRACTION / 解像度: 1.39 Å PDB-9f4n: UP1 in complex with Z137811222 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-9f4o: UP1 in complex with Z991506900 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-9f4p: UP1 in complex with Z1217960891 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-9f4q: UP1 in complex with Z641239276 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-9f4r: UP1 in complex with Z802821712 手法: X-RAY DIFFRACTION / 解像度: 1.59 Å PDB-9f4s: UP1 in complex with Z56880342 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-9f4t: UP1 in complex with EN300-805013 手法: X-RAY DIFFRACTION / 解像度: 1.42 Å PDB-9f4u: UP1 in complex with Z111529496 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-9f4v: UP1 in complex with EN300-118084 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-9f4w: UP1 in complex with Z54508609 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-9f4x: UP1 in complex with Z1220452176 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-9f4y: UP1 in complex with Z90120418 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-9f4z: UP1 in complex with Z57040482 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-9f50: UP1 in complex with Z906021418 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-9f51: UP1 in complex with Z608065044 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-9f52: UP1 in complex with Z734147462 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-9f53: UP1 in complex with Z237527902 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-9f54: UP1 in complex with EN300-197154 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-9f55: UP1 in complex with Z235361315 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-9f5c: UP1 in complex with Z198195770 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å PDB-9f5d: UP1 in complex with Z641230552 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-9f5e: UP1 in complex with Z30820160 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å PDB-9f5f: UP1 in complex with Z992569480 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-9f5g: UP1 in complex with EN300-115958 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-9f5k: UP1 in complex with Z33546965 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-9f7f: UP1 in complex with Z1491353358 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-9f7h: UP1 in complex with Z45617795 手法: X-RAY DIFFRACTION / 解像度: 1.43 Å
化合物	ChemComp-JH1: 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide ChemComp-HOH: WATER / 水 ChemComp-VZM: N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea PDB-1h9t: FADR, FATTY ACID RESPONSIVE TRANSCRIPTION FACTOR FROM E. COLI IN COMPLEX WITH FADB OPERATOR ChemComp-SZE: 4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one ChemComp-NUY: [4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone ChemComp-NWP: (2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide PDB-1h9r: Tungstate bound complex Dimop domain of ModE from E.coli ChemComp-WGP: N,N-dimethyl-N~2~-phenylglycinamide / 2-アニリノ-N,N-ジメチルアセトアミド PDB-1h97: Trematode hemoglobin from Paramphistomum epiclitum ChemComp-O3J: 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one / 1-[4-(3-フェニルプロピル)ピペラジン-1-イル]エタノン PDB-1h95: Solution structure of the single-stranded DNA-binding Cold Shock Domain (CSD) of human Y-box protein 1 (YB1) determined by NMR (10 lowest energy structures) ChemComp-Q49: (3S)-3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one PDB-1h9s: Molybdate bound complex of Dimop domain of ModE from E.coli ChemComp-K3J: N-ethyl-6-methylpyridazin-3-amine ChemComp-JGA: N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea ChemComp-WZY: N-(4-methoxyphenyl)glycinamide ChemComp-LXA: ~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide ChemComp-UQJ: 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide / 3-(ジフルオロメチル)-1-メチル-1H-ピラゾ-ル-4-カルボアミド ChemComp-O0M: 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol ChemComp-HWH: ~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide / N-[2-(5-フルオロ-1H-インド-ル-3-イル)エチル]アセトアミド ChemComp-W0S: 1-(3,4,5-trimethoxyphenyl)methanamine / 3,4,5-トリメトキシベンゼンメタンアミン ChemComp-9KS: N-(2-hydroxyphenyl)acetamide / N-(2-ヒドロキシフェニル)アセトアミド ChemComp-K2G: 5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide PDB-1h9v: Human Fc-gamma-Receptor IIa (FcgRIIa), monoclinic PDB-1h9w: Native Dioclea Guianensis seed lectin ChemComp-K3A: N-(5-methyl-1H-pyrazol-3-yl)acetamide / 3-(アセチルアミノ)-5-メチル-1H-ピラゾ-ル ChemComp-K3Y: 1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide PDB-1h9u: The structure of the human retinoid-X-receptor beta ligand binding domain in complex with the specific synthetic agonist LG100268 ChemComp-LJA: N-[3-(carbamoylamino)phenyl]acetamide PDB-1h9x: Cytochrome cd1 Nitrite Reductase, reduced form ChemComp-JFP: N-(4-methyl-1,3-thiazol-2-yl)propanamide ChemComp-W0J: (3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine ChemComp-Z9I: 1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine ChemComp-ONQ: ~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide ChemComp-WNM: (3S)-1-(phenylsulfonyl)pyrrolidin-3-amine ChemComp-JFM: N-(2-phenylethyl)methanesulfonamide / N-フェネチルメタンスルホンアミド
由来	homo sapiens (ヒト)
キーワード	RNA BINDING PROTEIN (RNA結合タンパク質) / fragment screening / hnRNP A1 (HNRNPA1) / UP1 / RNA/DNA BINDING PROTEIN / UP1-fragment complex