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	Accurate computational design of three-dimensional protein crystals.
ジャーナル・号・ページ	Nat Mater, Vol. 22, Issue 12, Page 1556-1563, Year 2023
掲載日	2023年10月16日
著者	Zhe Li / Shunzhi Wang / Una Nattermann / Asim K Bera / Andrew J Borst / Muammer Y Yaman / Matthew J Bick / Erin C Yang / William Sheffler / Byeongdu Lee / Soenke Seifert / Greg L Hura / Hannah Nguyen / Alex Kang / Radhika Dalal / Joshua M Lubner / Yang Hsia / Hugh Haddox / Alexis Courbet / Quinton Dowling / Marcos Miranda / Andrew Favor / Ali Etemadi / Natasha I Edman / Wei Yang / Connor Weidle / Banumathi Sankaran / Babak Negahdari / Michael B Ross / David S Ginger / David Baker /
PubMed 要旨	Protein crystallization plays a central role in structural biology. Despite this, the process of crystallization remains poorly understood and highly empirical, with crystal contacts, lattice packing ...Protein crystallization plays a central role in structural biology. Despite this, the process of crystallization remains poorly understood and highly empirical, with crystal contacts, lattice packing arrangements and space group preferences being largely unpredictable. Programming protein crystallization through precisely engineered side-chain-side-chain interactions across protein-protein interfaces is an outstanding challenge. Here we develop a general computational approach for designing three-dimensional protein crystals with prespecified lattice architectures at atomic accuracy that hierarchically constrains the overall number of degrees of freedom of the system. We design three pairs of oligomers that can be individually purified, and upon mixing, spontaneously self-assemble into >100 µm three-dimensional crystals. The structures of these crystals are nearly identical to the computational design models, closely corresponding in both overall architecture and the specific protein-protein interactions. The dimensions of the crystal unit cell can be systematically redesigned while retaining the space group symmetry and overall architecture, and the crystals are extremely porous and highly stable. Our approach enables the computational design of protein crystals with high accuracy, and the designed protein crystals, which have both structural and assembly information encoded in their primary sequences, provide a powerful platform for biological materials engineering.
リンク	Nat Mater / PubMed:37845322
手法	EM (単粒子) / X線回折
解像度	1.85 - 5.53 Å
構造データ	27031 8cwy EMDB-27031, PDB-8cwy: Accurate computational design of genetically encoded 3D protein crystals 手法: EM (単粒子) / 解像度: 3.34 Å 40926 8szz EMDB-40926, PDB-8szz: CryoEM Structure of Computationally Designed Nanocage O32-ZL4 手法: EM (単粒子) / 解像度: 2.9 Å PDB-8cus: Accurate computational design of genetically encoded 3D protein crystals 手法: X-RAY DIFFRACTION / 解像度: 3.98 Å PDB-8cut: Accurate computational design of genetically encoded 3D protein crystals 手法: X-RAY DIFFRACTION / 解像度: 4 Å PDB-8cuu: Accurate computational design of genetically encoded 3D protein crystals 手法: X-RAY DIFFRACTION / 解像度: 2.91 Å PDB-8cuv: Accurate computational design of genetically encoded 3D protein crystals 手法: X-RAY DIFFRACTION / 解像度: 2.8 Å PDB-8cuw: Accurate computational design of genetically encoded 3D protein crystals 手法: X-RAY DIFFRACTION / 解像度: 3.55 Å PDB-8cux: Accurate computational design of genetically encoded 3D protein crystals 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-8cws: Accurate computational design of genetically encoded 3D protein crystals 手法: X-RAY DIFFRACTION / 解像度: 4.4 Å PDB-8cwz: Accurate computational design of genetically encoded 3D protein crystals 手法: X-RAY DIFFRACTION / 解像度: 5.53 Å PDB-8far: Accurate computational design of genetically encoded 3D protein crystals 手法: X-RAY DIFFRACTION / 解像度: 3.66 Å
化合物	ChemComp-HOH: WATER ChemComp-NA: Unknown entry / ナトリウムカチオン
由来	Escherichia coli (大腸菌) synthetic construct (人工物) thermotoga maritima (バクテリア)
キーワード	DE NOVO PROTEIN / DE NOVO DESIGN / genetically encoded / 3D protein crystals / 3D crystals / nanocage / rosetta / cryoEM / O32-ZL4