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	FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
ジャーナル・号・ページ	J. Med. Chem., Vol. 62, Page 3741-3752, Year 2019
掲載日	2018年12月4日 (構造データの登録日)
著者	Wood, D.J. / Lopez-Fernandez, J.D. / Knight, L.E. / Al-Khawaldeh, I. / Gai, C. / Lin, S. / Martin, M.P. / Miller, D.C. / Cano, C. / Endicott, J.A. ...Wood, D.J. / Lopez-Fernandez, J.D. / Knight, L.E. / Al-Khawaldeh, I. / Gai, C. / Lin, S. / Martin, M.P. / Miller, D.C. / Cano, C. / Endicott, J.A. / Hardcastle, I.R. / Noble, M.E.M. / Waring, M.J.
リンク	J. Med. Chem. / PubMed:30860382
手法	X線回折
解像度	0.98 - 1.73 Å
構造データ	PDB-6q3b: CDK2 in complex with FragLite2 手法: X-RAY DIFFRACTION / 解像度: 1.11 Å PDB-6q3c: CDK2 in complex with FragLite1 手法: X-RAY DIFFRACTION / 解像度: 1.29 Å PDB-6q3f: CDK2 in complex with FragLite2 手法: X-RAY DIFFRACTION / 解像度: 1.18 Å PDB-6q48: CDK2 in complex with FragLite7 手法: X-RAY DIFFRACTION / 解像度: 1.03 Å PDB-6q49: CDK2 in complex with FragLite6 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-6q4a: CDK2 in complex with FragLite14 手法: X-RAY DIFFRACTION / 解像度: 1.13 Å PDB-6q4b: CDK2 in complex with FragLite13 手法: X-RAY DIFFRACTION / 解像度: 1.12 Å PDB-6q4c: CDK2 in complex with FragLite16 手法: X-RAY DIFFRACTION / 解像度: 1.73 Å PDB-6q4d: CDK2 in complex with FragLite31 手法: X-RAY DIFFRACTION / 解像度: 1.07 Å PDB-6q4e: CDK2 in complex with FragLite33 手法: X-RAY DIFFRACTION / 解像度: 1.06 Å PDB-6q4f: CDK2 in complex with FragLite32 手法: X-RAY DIFFRACTION / 解像度: 1.21 Å PDB-6q4g: CDK2 in complex with FragLite37 手法: X-RAY DIFFRACTION / 解像度: 0.98 Å PDB-6q4h: CDK2 in complex with FragLite36 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-6q4i: CDK2 in complex with FragLite35 手法: X-RAY DIFFRACTION / 解像度: 1.11 Å PDB-6q4j: CDK2 in complex with FragLite34 手法: X-RAY DIFFRACTION / 解像度: 1.05 Å PDB-6q4k: CDK2 in complex with FragLite38 手法: X-RAY DIFFRACTION / 解像度: 1.06 Å
化合物	ChemComp-PYZ: 4-IODOPYRAZOLE / 4-ヨ-ド-1H-ピラゾ-ル ChemComp-HOH: WATER ChemComp-BYZ: 4-bromo-1H-pyrazole / 4-ブロモ-1H-ピラゾ-ル ChemComp-HEW: 4-bromanylpyridin-2-amine / 2-アミノ-4-ブロモピリジン ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-HHQ: 4-iodanyl-3~{H}-pyridin-2-one ChemComp-HGQ: 4-bromanyl-1~{H}-pyridin-2-one / 4-ブロモピリジン-2-オ-ル ChemComp-HGW: 5-iodanylpyrimidine / 5-ヨ-ドピリミジン ChemComp-HHN: 5-bromanylpyrimidine / 5-ブロモピリミジン ChemComp-HH8: 4-bromanyl-1,8-naphthyridine ChemComp-HHT: 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid ChemComp-HH5: 6-iodanyl-7~{H}-purin-2-amine / 6-ヨ-ド-1H-プリン-2-アミン ChemComp-26D: PYRIDINE-2,6-DIAMINE / 2,6-ジアミノピリジン ChemComp-HJK: 2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid ChemComp-HGH: 2-[3-[(2-azanyl-9~{H}-purin-6-yl)oxy]phenyl]ethanoic acid ChemComp-HGK: 2-[4-[(2-oxidanylidene-3~{H}-pyridin-4-yl)oxy]phenyl]ethanoic acid ChemComp-HHB: 2-[3-(pyrimidin-4-ylamino)phenyl]ethanoic acid ChemComp-HHW: (~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid ChemComp-EDO*: 1,2-ETHANEDIOL / エチレングリコ-ル
由来	homo sapiens (ヒト)
キーワード	CELL CYCLE / Fragment / FragLite / CDK2 / inhibitor