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	`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
ジャーナル・号・ページ	To be published
掲載日	2015年1月7日 (構造データの登録日)
著者	Rogers, G.W. / Brear, P. / Yang, L. / Chen, A.S. / Mitchell, J.B.O. / Taylor, G.L. / Westwood, N.J.
リンク	PubMedで検索
手法	X線回折
解像度	1.53 - 2.749 Å
構造データ	PDB-4xik: Crystal structure of NanB sialidase from streptococcus pneumoniae in complex with DMSO 手法: X-RAY DIFFRACTION / 解像度: 1.91 Å PDB-4xil: Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with Optactin at pH 7.4 in PBS with MPD as the cryoprotectant 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-4xio: Crystal structure of apo NanB sialidase from streptococcus pneumoniae at pH 8.0 with MPD as the cryoprotectant 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-4xj8: Crystal structure of apo NanB sialidase from streptococcus pneumoniae at pH 5.0 in 50mM sodium Acetate with DMSO 手法: X-RAY DIFFRACTION / 解像度: 2.749 Å PDB-4xj9: Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with Optactin at pH 5.0 in 50mM Sodium Acetate with DMSO as the cryoprotectant 手法: X-RAY DIFFRACTION / 解像度: 1.98 Å PDB-4xja: Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 5-acetamido-2,3-difluoro-3-hydroxy-6-[1,2,3-trihydroxypropyl]oxane-2-carboxylic acid 手法: X-RAY DIFFRACTION / 解像度: 1.98 Å PDB-4xju: Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 4-acetamido-2-fluoro-3-hydroxy-6-[1,2-dihydroxyethyl]-7,8-dioxabicyclo[3.2.1]octane-1-carboxylic acid 手法: X-RAY DIFFRACTION / 解像度: 1.94 Å PDB-4xjw: Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with Optactin at pH 7.4 in PBS with DMSO as the cryoprotectant 手法: X-RAY DIFFRACTION / 解像度: 1.53 Å PDB-4xma: Crystal structure of the K499G mutant of NanB sialidase from streptococcus pneumoniae in complex with Optactin 手法: X-RAY DIFFRACTION / 解像度: 2.09 Å
化合物	ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-HOH: WATER ChemComp-OPX: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid ChemComp-PO4: PHOSPHATE ION / ホスファ-ト ChemComp-SFJ: (2R,3R,4R,5R,6R)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic / 2,3α-ジフルオロ-N-アセチル-2-デオキシ-α-ノイラミン酸 ChemComp-19D*: (1R,2R,3R,4R,5R,7R)-2-(acetylamino)-7-[(1R)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid
由来	streptococcus pneumoniae tigr4 (肺炎レンサ球菌) streptococcus pneumoniae serotype 4 (strain atcc baa-334 / tigr4) (肺炎レンサ球菌) streptococcus pneumoniae serotype 4 tigr4 (肺炎レンサ球菌)
キーワード	HYDROLASE / intramolecular trans-sialidase / glycosidase / drug design / neuraminidase / allosteric inhibitor / serendipitous allosteric sites / crystallization artefacts