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	Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
ジャーナル・号・ページ	J. Med. Chem., Vol. 63, Page 9464-9483, Year 2020
掲載日	2020年4月22日 (構造データの登録日)
著者	Mahy, W. / Patel, M. / Steadman, D. / Woodward, H.L. / Atkinson, B.N. / Svensson, F. / Willis, N.J. / Flint, A. / Papatheodorou, D. / Zhao, Y. ...Mahy, W. / Patel, M. / Steadman, D. / Woodward, H.L. / Atkinson, B.N. / Svensson, F. / Willis, N.J. / Flint, A. / Papatheodorou, D. / Zhao, Y. / Vecchia, L. / Ruza, R.R. / Hillier, J. / Frew, S. / Monaghan, A. / Costa, A. / Bictash, M. / Walter, M.W. / Jones, E.Y. / Fish, P.V.
リンク	J. Med. Chem. / PubMed:32787107
手法	X線回折
解像度	1.21 - 2.1 Å
構造データ	PDB-6ysk: 1-phenylpyrroles and 1-enylpyrrolidines as inhibitors of Notum 手法: X-RAY DIFFRACTION / 解像度: 1.21 Å PDB-6yuw: STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 454 手法: X-RAY DIFFRACTION / 解像度: 1.94 Å PDB-6yuy: STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 471 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-6yv0: STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLIDINE-3-CARBOXYLIC ACID FRAGMENT 587 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-6yv2: STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLIDINE-3-CARBOXYLIC ACID FRAGMENT 598 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-6yv4: STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 686 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-6yxi: Structure of Notum in complex with a 1-(3-Chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.34 Å
化合物	ChemComp-NAG: 2-acetamido-2-deoxy-beta-D-glucopyranose / N-アセチル-β-D-グルコサミン ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-PJK: (3~{S})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid ChemComp-HOH: WATER ChemComp-PQZ: 1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid ChemComp-PQH: 2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid / 2-メチル-5-(トリフルオロメチル)-1H-ピロ-ル-3-カルボン酸 ChemComp-PQT: (3~{R})-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid ChemComp-PUE: (3~{R})-1-phenylpyrrolidine-3-carboxylic acid ChemComp-PQK: 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid ChemComp-PZ8*: 1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid
由来	homo sapiens (ヒト)
キーワード	HYDROLASE / Notum inhibitor / Wnt / Wnt signalling / Frizzled / Fzd / Fragment screen / Notum / Inhibitor / Complex / Wnt pathway