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	Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
ジャーナル・号・ページ	J. Med. Chem., Vol. 63, Page 4315-4333, Year 2020
掲載日	2019年9月29日 (構造データの登録日)
著者	Chacon Simon, S. / Wang, F. / Thomas, L.R. / Phan, J. / Zhao, B. / Olejniczak, E.T. / Macdonald, J.D. / Shaw, J.G. / Schlund, C. / Payne, W. ...Chacon Simon, S. / Wang, F. / Thomas, L.R. / Phan, J. / Zhao, B. / Olejniczak, E.T. / Macdonald, J.D. / Shaw, J.G. / Schlund, C. / Payne, W. / Creighton, J. / Stauffer, S.R. / Waterson, A.G. / Tansey, W.P. / Fesik, S.W.
リンク	J. Med. Chem. / PubMed:32223236
手法	X線回折
解像度	1.258 - 1.731 Å
構造データ	PDB-6uhy: WDR5 in complex with Myc site fragment inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.26 Å PDB-6uhz: WDR5 in complex with Myc site fragment inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.258 Å PDB-6uif: Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction 手法: X-RAY DIFFRACTION / 解像度: 1.603 Å PDB-6uik: Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-6uj4: Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction 手法: X-RAY DIFFRACTION / 解像度: 1.53 Å PDB-6ujh: Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction 手法: X-RAY DIFFRACTION / 解像度: 1.493 Å PDB-6ujj: Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction 手法: X-RAY DIFFRACTION / 解像度: 1.731 Å PDB-6ujl: Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction 手法: X-RAY DIFFRACTION / 解像度: 1.599 Å PDB-6uoz: Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction 手法: X-RAY DIFFRACTION / 解像度: 1.532 Å
化合物	ChemComp-Q8G: 1-cyclohexyl-1H-benzimidazole-5-carboxylic acid ChemComp-HOH: WATER / 水 ChemComp-Q8D: 1-cyclohexyl-1H-benzotriazole-5-carboxylic acid ChemComp-Q8P: 4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-N-methyl-1H-imidazole-2-carboxamide ChemComp-Q8M: 5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide ChemComp-Q8S: 5-bromo-3-chloro-N-(1-cyclopentyl-2-methyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide ChemComp-QBS: (2R)-2-(4-chlorophenyl)-3-oxobutanenitrile ChemComp-SO4: SULFATE ION / 硫酸ジアニオン / 硫酸塩 ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM / ジメチルスルホキシド ChemComp-QBP: 5-[4-(trifluoromethyl)phenyl]-1H-tetrazole / 5-[4-(トリフルオロメチル)フェニル]-1H-テトラゾ-ル ChemComp-QBM: 6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol ChemComp-QF1*: 5-bromo-3-chloro-N-[1-cyclopentyl-2-(methylsulfonyl)-1H-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide
由来	homo sapiens (ヒト)
キーワード	TRANSCRIPTION (転写 (生物学)) / WDR5 / Myc (Myc) / inhibitor (酵素阻害剤) / complex / structure-based design / fragment screening