Towards patient-relevant structures: reviewing body-temperature biological macromolecules and their ligands for pharmaceutical applications [0.03%]
基于生理温度的生物大分子及其配体在药物研发中的应用展望
Alice Brink,John R Helliwell,Francois J F Jacobs
Alice Brink
The aim of our structures for eventual clinical application is to be relevant. Regulation of pharmaceutical lead compounds, however, does not yet involve the need for patient-relevant macromolecular structures determined at 37°C, as it is ...
Leopard-EM: an extensible 2D template-matching package to accelerate in situ structural biology [0.03%]
leopard-em：一个可扩展的二维模板匹配软件包，用于加速原位结构生物学研究
Matthew D Giammar,Joshua L Dickerson,Laina N Hall et al.
Matthew D Giammar et al.
The ability to generate high-resolution views of cells with cryogenic electron microscopy (cryo-EM) can reveal the molecular mechanisms of biological processes in their native cellular context. The revolutionary impact of this strategy is l...
Structure, substrate recognition and therapeutic targeting of the human ADAMTS-5 spacer domain [0.03%]
人ADAMTS-5 Spacer结构、底物识别及其作为药物靶点的潜力
Mario Milani,Michela Visintin,Ivet Krastanova et al.
Mario Milani et al.
The ADAMTS (a disintegrin-like and metalloproteinase domain with thrombospondin type 1 motifs) family of secreted metalloproteinases plays essential roles in extracellular matrix remodeling. ADAMTS-5 contributes to cartilage degradation, cl...
The crystal structure of EpHTT, a hydroxycinnamoyl transferase from Echinacea purpurea [0.03%]
紫锥菊羟基肉桂酰转移酶EpHTT的晶体结构
Hui Bao,Di Jiang,Chengbing Tang et al.
Hui Bao et al.
Echinacea purpurea hydroxycinnamoyl-CoA:tartaric acid hydroxycinnamoyl transferase (EpHTT) is a cytosolic BAHD acyltransferase that catalyzes the transfer of caffeoyl groups to tartaric acid, a key step in chicoric acid biosynthesis. Unders...
Lauren Giles,Tom Burnley
Lauren Giles
Here, we describe the first ten years of the CCP-EM Spring Symposium, an annual conference to bring together the cryogenic-sample electron microscopy (cryoEM) community to present and discuss the latest methodological advances and applicati...
Xtricorder: a likelihood-enhanced self-rotation function and application to a machine learning-enhanced Matthews prediction of asymmetric unit copy number [0.03%]
一种可能性增强的自旋函数及其在机器学习增强的Matthews系数预测中的应用
Airlie J McCoy,Randy J Read
Airlie J McCoy
Analysis of crystallographic diffraction data after collection and integration but before phasing gives the crystallographer a `first-look' assessment of data quality and flags potential challenges in subsequent structure determination. We ...
Completion of partial structures using Patterson maps with the CrysFormer machine-learning model [0.03%]
基于Patterson图的结构完成和CrysFormer模型在部分结构解析中的应用
Tom Pan,Evan Dramko,Mitchell D Miller et al.
Tom Pan et al.
Protein structure determination has long been one of the primary challenges of structural biology, to which deep machine learning (ML)-based approaches have increasingly been applied. However, these ML models generally do not directly incor...
Hydrogen density mapping in biomolecular crystals through dynamic nuclear polarization [0.03%]
利用动态核极化对生物大分子晶体中的氢密度进行图谱绘制
Khadiza Begam,Zachary Morgan,Dean A A Myles et al.
Khadiza Begam et al.
Many fundamental biological processes, including those in photosynthetic reaction centers and enzyme active sites, involve charge and energy transfer, bond cleavage, protonation and hydrogen bonding. Because H atoms play such central roles ...
Exploration of questionable backbone conformations in crystallographic structure models using a structural alphabet [0.03%]
基于结构字母法探索晶体学结构模型中的可疑主链构象
Clémence Sarrau,Marine Baillif,Lucas Mantel et al.
Clémence Sarrau et al.
More than 80% of protein structure models in the Protein Data Bank have been solved using X-ray crystallography. Despite continuous improvements in this experimental technique, crystallographic structure models may still present artifacts r...
CryoLike: a Python package for cryo-electron microscopy image-to-structure likelihood calculations [0.03%]
CryoLike：一个用于低温电子显微镜图像到结构似然计算的Python包
Wai Shing Tang,Jeff Soules,Aaditya Rangan et al.
Wai Shing Tang et al.
Extracting conformational heterogeneity from cryo-electron microscopy (cryo-EM) images is particularly challenging for flexible biomolecules, where traditional 3D classification approaches often fail. Over the past few decades, advancements...