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	Fragment-Based Phasing of Peptidic Nanocrystals by MicroED.
ジャーナル・号・ページ	ACS Bio Med Chem Au, Vol. 3, Issue 2, Page 201-210, Year 2023
掲載日	2023年4月19日
著者	Logan S Richards / Maria D Flores / Claudia Millán / Calina Glynn / Chih-Te Zee / Michael R Sawaya / Marcus Gallagher-Jones / Rafael J Borges / Isabel Usón / Jose A Rodriguez /
PubMed 要旨	Electron diffraction (MicroED/3DED) can render the three-dimensional atomic structures of molecules from previously unamenable samples. The approach has been particularly transformative for peptidic ...Electron diffraction (MicroED/3DED) can render the three-dimensional atomic structures of molecules from previously unamenable samples. The approach has been particularly transformative for peptidic structures, where MicroED has revealed novel structures of naturally occurring peptides, synthetic protein fragments, and peptide-based natural products. Despite its transformative potential, MicroED is beholden to the crystallographic phase problem, which challenges its determination of structures. ARCIMBOLDO, an automated, fragment-based approach to structure determination, eliminates the need for atomic resolution, instead enforcing stereochemical constraints through libraries of small model fragments, and discerning congruent motifs in solution space to ensure validation. This approach expands the reach of MicroED to presently inaccessible peptide structures including fragments of human amyloids, and yeast and mammalian prions. For electron diffraction, fragment-based phasing portends a more general phasing solution with limited model bias for a wider set of chemical structures.
リンク	ACS Bio Med Chem Au / PubMed:37096030 / PubMed Central
手法	EM (電子線結晶学) / X線回折
解像度	0.9 - 1.503 Å
構造データ	PDB-7n2d: MicroED structure of human zinc finger protein 292 segment (534-542) phased by ARCIMBOLDO-BORGES 手法: ELECTRON CRYSTALLOGRAPHY / 解像度: 1.503 Å PDB-7n2e: MicroED structure of human CPEB3 segment (154-161) straight polymorph 手法: ELECTRON CRYSTALLOGRAPHY / 解像度: 1.0 Å PDB-7n2f: MicroED structure of human CPEB3 segment (154-161) straight polymorph phased by ARCIMBOLDO-BORGES 手法: ELECTRON CRYSTALLOGRAPHY / 解像度: 1.2 Å PDB-7n2g: MicroED structure of human CPEB3 segment(154-161) kinked polymorph phased by ARCIMBOLDO-BORGES 手法: ELECTRON CRYSTALLOGRAPHY / 解像度: 1.201 Å PDB-7n2h: X-Ray structure of a sequence variant of a repeat segment of the yeast prion New1p 手法: X-RAY DIFFRACTION / 解像度: 1.102 Å PDB-7n2i: MicroED structure of human LECT2 (45-53) phased by ARCIMBOLDO-BORGES 手法: ELECTRON CRYSTALLOGRAPHY / 解像度: 1.402 Å PDB-7n2j: MicroED structure of a mutant mammalian prion segment phased by ARCIMBOLDO-BORGES 手法: ELECTRON CRYSTALLOGRAPHY / 解像度: 1.5 Å PDB-7n2k: MicroED structure of sequence variant of repeat segment of the yeast prion New1p phased by ARCIMBOLDO-BORGES 手法: ELECTRON CRYSTALLOGRAPHY / 解像度: 1.301 Å PDB-7n2l: MicroED structure of a mutant mammalian prion segment 手法: ELECTRON CRYSTALLOGRAPHY / 解像度: 0.9 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
由来	homo sapiens (ヒト) saccharomyces cerevisiae (パン酵母) synthetic construct (人工物)
キーワード	PROTEIN FIBRIL / amyloid / MicroED / zinc finger / phasing / functional amyloid / prion / New1p / LECT2 / yeast