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	How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
ジャーナル・号・ページ	J. Med. Chem., Vol. 54, Page 3989-, Year 2011
掲載日	2011年3月25日 (構造データの登録日)
著者	Roughley, S.D. / Hubbard, R.E.
リンク	J. Med. Chem. / PubMed:21561141
手法	X線回折
解像度	1.55 - 2.56 Å
構造データ	PDB-2ye2: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-2ye3: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-2ye4: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-2ye5: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 1.73 Å PDB-2ye6: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.56 Å PDB-2ye7: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-2ye8: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-2ye9: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-2yea: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 1.73 Å PDB-2yeb: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-2yec: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-2yed: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-2yee: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-2yef: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-2yeg: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-2yeh: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-2yei: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-2yej: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å
化合物	ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-XQI: METHYL 2-(3,5-DIHYDROXYPHENYL)ETHANOATE / 3,5-ジヒドロキシベンゼン酢酸メチル ChemComp-HOH: WATER ChemComp-VXX: METHYL VANILLATE / バニリン酸メチル ChemComp-2FY: 1-(2,4-DIHYDROXY-PHENYL)-PROPAN-1-ONE / 2′,4′-ジヒドロキシプロピオフェノン ChemComp-2A7: 5-METHOXY-BENZENE-1,3-DIOL / 5-メトキシレソルシノ-ル ChemComp-2AE: 2-AMINO-BENZAMIDE / 2-アミノベンズアミド ChemComp-2GA: 2-[(3,5-DIMETHYL-1H-PYRAZOL-4-YL)SULFANYL]-5-METHYLSULFANYL-1,3,4-THIADIAZOLE ChemComp-MG: Unknown entry / マグネシウムジカチオン ChemComp-2D3: METHYL 3-ISOXAZOL-5-YL-5-METHYL-1H-PYRAZOLE-4-CARBOXYLATE ChemComp-2D4: N-[4-HYDROXY-3-(2-HYDROXYNAPHTHALEN-1-YL)PHENYL]THIOPHENE-2-SULFONAMIDE ChemComp-2A9: 5-(HYDROXYMETHYL)-2-METHOXYPHENOL / 3-ヒドロキシ-4-メトキシベンジルアルコ-ル ChemComp-2K4: 1H-INDAZOL-6-OL / 1H-インダゾ-ル-6-オ-ル ChemComp-CL: Unknown entry / クロリド ChemComp-XQ0: 3-METHYL-1H-INDAZOL-6-OL ChemComp-ADE: ADENINE / アデニン ChemComp-2EC: 9-ETHYL-9H-PURIN-6-YLAMINE / 9-エチルアデニン ChemComp-ANP: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER / AMP-PNP / AMP-PNP, エネルギー貯蔵分子類似体YM ChemComp-XQG: 6-METHYLSULFANYL-9H-PURINE / 6-メチルメルカプトプリン ChemComp-2KU: N-(3-METHOXYPROPYL)-9H-PURIN-6-AMINE ChemComp-XQK: METHYL 5-ISOXAZOL-5-YL-3-METHYL-1H-PYRAZOLE-4-CARBOXYLATE ChemComp-ZZ3*: 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE / 4-メチル-6-(メチルチオ)-1,3,5-トリアジン-2-アミン
由来	homo sapiens (ヒト)
キーワード	CHAPERONE / PU3 / ATPASE / STRESS RESPONSE / NUCLEOTIDE-BINDING / ATP-BINDING / PHOSPHOPROTEIN / PHOSPHORYLATION