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 CryoEM Method MicroED as a Powerful Tool for Small Molecule Structure Determination.
ジャーナル・号・ページ	ACS Cent Sci, Vol. 4, Issue 11, Page 1587-1592, Year 2018
掲載日	2018年11月28日
著者	Christopher G Jones / Michael W Martynowycz / Johan Hattne / Tyler J Fulton / Brian M Stoltz / Jose A Rodriguez / Hosea M Nelson / Tamir Gonen /
PubMed 要旨	In the many scientific endeavors that are driven by organic chemistry, unambiguous identification of small molecules is of paramount importance. Over the past 50 years, NMR and other powerful ...In the many scientific endeavors that are driven by organic chemistry, unambiguous identification of small molecules is of paramount importance. Over the past 50 years, NMR and other powerful spectroscopic techniques have been developed to address this challenge. While almost all of these techniques rely on inference of connectivity, the unambiguous determination of a small molecule's structure requires X-ray and/or neutron diffraction studies. In practice, however, X-ray crystallography is rarely applied in routine organic chemistry due to intrinsic limitations of both the analytes and the technique. Here we report the use of the electron cryo-microscopy (cryoEM) method microcrystal electron diffraction (MicroED) to provide routine and unambiguous structural determination of small organic molecules. From simple powders, with minimal sample preparation, we could collect high-quality MicroED data from nanocrystals (∼100 nm, ∼10 g) resulting in atomic resolution (<1 Å) crystal structures in minutes.
リンク	ACS Cent Sci / PubMed:30555912 / PubMed Central
手法	EM (電子線結晶学)
解像度	0.77 - 1.91 Å
構造データ	EMDB-9282: MicroED map of biotin at 0.9 A resolution 手法: EM (電子線結晶学) / 解像度: 0.9 Å EMDB-9283: MicroED map of brucine at 0.9 A resolution 手法: EM (電子線結晶学) EMDB-9284: MicroED map of carbamazepine at 1.0 A resolution 手法: EM (電子線結晶学) EMDB-9285: MicroED map of cinchonine at 1.0 A resolution 手法: EM (電子線結晶学) EMDB-9286: MicroED map of ethisterone at 0.9 A resolution 手法: EM (電子線結晶学) EMDB-9287: MicroED map of HKL-I-029 at 1.0 A resolution 手法: EM (電子線結晶学) / 解像度: 1.0 Å EMDB-9288: MicroED map of ibuprofen at 1.1 A resolution 手法: EM (電子線結晶学) EMDB-9289: MicroED map of (+)-limaspermidine at 0.77 A resolution 手法: EM (電子線結晶学) / 解像度: 0.77 Å EMDB-9290: MicroED map of progesterone at 0.9 A resolution 手法: EM (電子線結晶学) / 解像度: 0.9 Å EMDB-9291: MicroED map of acetaminophen at 0.8 A resolution 手法: EM (電子線結晶学) / 解像度: 0.8 Å 9292 6mxf EMDB-9292, PDB-6mxf: MicroED structure of thiostrepton at 1.9 A resolution 手法: EM (電子線結晶学) / 解像度: 1.91 Å
化合物	ChemComp-HOH: WATER
由来	synthetic construct (人工物) streptomyces azureus (バクテリア)
キーワード	ANTIBIOTIC