Large Extent of Convergent Evolution Towards the Double Histone Fold Revealed by Targeted Sequence and Structure Search Approach [0.03%]
靶标序列和结构搜索方法揭示向双组蛋白折叠收敛进化的广泛性
Toshiko Miyake,Anna Ranaudo,Elena Sacco et al.
Toshiko Miyake et al.
Histone proteins are key players in chromatin packaging. In eukaryotes, nucleosomal cores-the DNA packaging fundamental units-are formed by composition of histone dimers. The double histone fold is a protein structure where two consecutive ...
Human Citrate Synthase Post-Translational Modification Mimics and Molecular Dynamic Simulations Demonstrate Attenuation of Acetyl-CoA/CoA Binding [0.03%]
人类柠檬酸合酶的翻译后修饰模仿和分子动态模拟证明了乙酰辅酶a/辅酶a结合的减弱
Noah Shackelford,Zach Zavodny,Nathan Fancher et al.
Noah Shackelford et al.
Human citrate synthase (hCS) is a mitochondrial enzyme that catalyzes the aldol condensation of acetyl coenzyme A (AcCoA) to oxaloacetate to form citrate in the TCA cycle. CS activity is important for aerobic exercise performance and basic ...
Progress and Bottlenecks for Deep Learning in Computational Structure Biology: CASP Round XVI [0.03%]
深度学习在计算结构生物学中的进展与瓶颈——CASP第16届比赛综述
Andriy Kryshtafovych,Torsten Schwede,Maya Topf et al.
Andriy Kryshtafovych et al.
CASP16 is the most recent in a series of community experiments to rigorously assess the state of the art in areas of computational structural biology. The field has advanced enormously in recent years: in early CASPs, the assessments center...
Assessment of Protein Complex Predictions in CASP16: Are We Making Progress? [0.03%]
CASP16蛋白质复合物预测评估：我们取得了进展吗？
Jing Zhang,Rongqing Yuan,Andriy Kryshtafovych et al.
Jing Zhang et al.
The assessment of oligomer targets in the Critical Assessment of Structure Prediction Round 16 (CASP16) suggests that complex structure prediction remains an unsolved challenge. Even the leading groups can only predict slightly more than ha...
In Silico Structural Analysis of Human β-Glucuronidase for Antibody-Drug Conjugates Optimization [0.03%]
人β-葡萄糖醛酸酶的计算机结构分析在抗体药物偶联物优化中的应用
Giorgia Canini,Simona Saporiti,Crescenzo Coppa et al.
Giorgia Canini et al.
Human β-glucuronidase (HGUSB), a key lysosomal glycosyl hydrolase for the degradation pathway of glycosaminoglycans (GAGs), plays a crucial role in cell proliferation and inflammation, making it a promising target for novel therapeutic str...
Rachael C Kretsch,Alissa M Hummer,Shujun He et al.
Rachael C Kretsch et al.
Consistently accurate 3D nucleic acid structure prediction would facilitate studies of the diverse RNA and DNA molecules underlying life. In CASP16, blind predictions for 42 targets canvassing a full array of nucleic acid functions, from do...
Namita Dube,Theresa A Ramelot,Tiburon L Benavides et al.
Namita Dube et al.
The CASP16 Ensemble Prediction experiment assessed advances in methods for modeling proteins, nucleic acids, and their complexes in multiple conformational states. Targets included systems with experimental structures determined in two or t...
Membrane Curvature During Membrane Rupture and Formation of Pentagonal Pyramidal Superassemblies by a Pore-Forming Toxin, Vibrio cholerae Cytolysin, Using Single Particle Cryo-EM [0.03%]
单颗粒低温电镜研究霍乱弧菌穿孔毒素诱导的膜破裂过程中形成的五角棱柱型超分子组装体及膜曲率变化
Suman Mishra,Kausik Chattopadhyay,Somnath Dutta
Suman Mishra
In this cryo-electron microscopy study, we provide mechanistic insights into how an archetypical β-barrel pore-forming toxin (β-PFT), Vibrio cholerae Cytolysin (VCC), ruptures the membrane lipid bilayer by inducing membrane curvature. We ...
Structural and Comparative Stability of a Truncated N-Terminal Domain of DNA Gyrase A From Salmonella Typhi [0.03%]
截短的Salmonella Typhi DNA解旋酶A型N端结构域的结构与比较稳定性研究
Mohd Salman,Ekta Sachdeva,Sheetal Negi et al.
Mohd Salman et al.
DNA Gyrase, a Type II topoisomerase, introduces negative supercoiling in dsDNA through the cleavage and religation activity at the expense of ATP. DNA Gyrase forms a hetero-tetrameric complex with two Gyrase A and Gyrase B subunits. These t...
Modeling Protein-Protein and Protein-Ligand Interactions by the ClusPro Team in CASP16 [0.03%]
CASP16中ClusPro团队的蛋白质-蛋白质和蛋白质-配体相互作用模型预测
Ryota Ashizawa,Sergei Kotelnikov,Omeir Khan et al.
Ryota Ashizawa et al.
In the CASP16 experiment, our team employed hybrid computational strategies to predict both protein-protein and protein-ligand complex structures. For protein-protein docking, we combined physics-based sampling-using ClusPro FFT docking and...