Results 111 to 120 of about 6,874,902 (263)

PrOMet: Accurate and Robust Metal‐Binding Site and Type Prediction

Advanced Science, EarlyView.
PrOMet is a two‐stage deep learning framework for jointly predicting metal‐binding sites and ion identities from protein structures. Surface candidate sites are first pruned, followed by refinement of the most probable sites and metal types. This hierarchical strategy enables robust and accurate metal prediction for cryo‐EM and AlphaFold‐derived ...
Gangeun Park, Chaok Seok, Hahnbeom Park
wiley   +1 more source

Sarbecoviruses Suppress Innate Immunity by Recruiting PPM1A to Modulate STAT2 and ORF9b Phosphorylation

Advanced Science, EarlyView.
Sarbecovirus ORF9b recruits host phosphatase PPM1A to suppress innate immunity through dual mechanisms. PPM1A directly dephosphorylates ORF9b to sustain its activity and indirectly downregulates STAT2 phosphorylation to impair interferon signaling. Pharmacological inhibition of PPM1A restores antiviral responses and limits sarbecovirus replication ...
Lixiang Xie, Ziye Huang, Zhiyuan Zhang, Yiqiang Zhu, Xiaoqing Liu, Lei Wang, Tongyu Bi, Taizhen Liang, Jintao Lai, Meilin Hu, Guochang Qiu, Shiqi Xiao, Sen Liu, Yaoming Liu, Haiyue Rao, Tao Chen, Haojie Peng, Bin Zhang, Jia Tang, Qianying Li, Yaxin Li, Yuxin Hou, Weibo Yang, Hewei Jiang, Xiancai Ma   +24 more
wiley   +1 more source

Molecular Preorganization Unlocks Reversible Solid‐State Photoconversion in Dianthrylnaphthalene‐Based Molecular Solar Thermal Systems

Angewandte Chemie, EarlyView.
Three dianthrylnaphthalenes were synthesized and investigated for molecular solar thermal (MOST) energy storage. Naphthyl‐based bridging units preorganize the two anthracene moieties face‐to‐face, leading to improved photoisomerization quantum yield (QY) and unlocked bidirectional photoswitching in the solid state compared to previously reported ortho ...
Nicolò Baggi, Lidiya M. Muhammad, Helen Hölzel, Liang Fei, Rebecca J. Salthouse, Mariusz Kubus, Sarah Plutzar, Magnus B. Johansen, Kurt V. Mikkelsen, Kasper S. Pedersen, Kasper Moth‐Poulsen   +10 more
wiley   +2 more sources

Protein X-ray Crystallography and Drug Discovery

, 2020
With the advent of structural biology in the drug discovery process, medicinal chemists gained the opportunity to use detailed structural information in order to progress screening hits into leads or drug candidates.
Lionel Mourey, Mourey, Lionel, Maveyraud, Laurent, Laurent Maveyraud   +3 more
core   +1 more source

Controlling Epitaxial Zn Growth via Guided Laser Patterning toward High‐Performance 6Ah Aqueous Zn||I2 Batteries

Advanced Science, EarlyView.
A scalable laser‐assisted surface patterning method regulates zinc ion flux and promotes lateral epitaxial growth for stable aqueous batteries. Periodic micro‐holes effectively minimize interfacial resistance and reconstruct the zinc texture to favor the compact (002) basal plane. This structured anode suppresses both dendrite propagation and parasitic
Suyeon Kim, Dongjae Kim, Youngeun Kim, Chaejeong Kim, Myunghyun Ryu, Wooyoung Jin, Hyeokjin Kwon, Kyu‐Nam Jung, Ki Jae Kim, Jong‐Won Lee, Jinhong Lee   +10 more
wiley   +1 more source

Chemical Inhibition of Pyocyanin Biosynthesis Attenuates Virulence of Pseudomonas aeruginosa

Angewandte Chemie, EarlyView.
Anti‐virulence strategies disarm pathogens rather than killing them directly. A β‐lactone reduces pyocyanin production without affecting growth. Chemical proteomics identified PqsC as the primary target via binding to Cys129. Crystallography revealed the binding mode, and SAR yielded a chloroacetamide inhibitor with improved enzymatic potency and anti ...
Wei Ding, Sebastian R. Borgert, Wulf Blankenfeldt, Stephan A. Sieber   +3 more
wiley   +2 more sources

Lewis Acid‐Catalyzed Strain‐Enabled (3+3) Annulation of Bicyclo[1.1.0]Butanes With Indolylalcohols: Synthesis of Indole‐Fused Aza‐Bicyclo[3.1.1]Heptanes

Advanced Science, EarlyView.
Bicyclo[1.1.0]butanes undergo a Lewis acid‐catalyzed formal (3 + 3) annulation with indolyl alcohols to furnish indole‐fused aza‐bicyclo[3.1.1]heptanes. Strain‐release‐driven C‐C bond formation, followed by C‐N bond formation via ring expansion, enables the rapid assembly of rigid, sp3‐rich bicyclic architectures under mild reaction conditions ...
Mainak Dey, Tuhin Subhra Das Mahapatra, Pragya Sharma, Manoj V. Mane, Chinmoy Kumar Hazra   +4 more
wiley   +1 more source

Nonnative Thiol and Aniline Methylation, Including Enantioselective Dithiol Desymmetrization, by Multicomponent Cobamide‐Dependent Methyltransferases Using Unactivated Methyl Donors

Angewandte Chemie, EarlyView.
Mixed MtaABC/MtgABC methyltransferase systems were developed for non‐native thiol and aniline methylation using the unactivated methyl donors methanol and glycine betaine. The platform enabled site‐selective and enantioselective methylation with turnover number up to 6000, representing the first enantioselective non‐native catalysis by cobamide ...
Amardeep Kumar, Osman Ishag Adam, Paras Gupta, Jared C. Lewis   +3 more
wiley   +2 more sources

What is X-ray Crystallography?

This site, maintained by the University of Bristol, contains a short explanation of X-ray crystallography. Topics covered include a definition of X-ray crystallography, an example of its applications, and the stages of crystal structure determination.
David Edmonds
core  

“Lithium‐Free” Anode Solid‐State Batteries Enabled by 3D Structured Miec Garnet

Advanced Energy Materials, EarlyView.
“Lithium‐free” anode solid‐state batteries can maximize energy density by eliminating excess lithium metal but are limited by unstable lithium nucleation and poor lithium reversibility at solid interfaces. A mixed ionic and electronic conducting garnet scaffold promotes uniform lithium deposition within a three‐dimensional porous framework at low ...
George V. Alexander, Aoife Marie Zuercher, Jay Yvonne Easter, Christopher Tang, William Schubert, J. Evans Gritton, Eric D. Wachsman   +6 more
wiley   +1 more source