Results 131 to 140 of about 6,581,018 (264)

Solvent organization in the ultrahigh-resolution crystal structure of crambin at room temperature

IUCrJ
Ultrahigh-resolution structures provide unprecedented details about protein dynamics, hydrogen bonding and solvent networks. The reported 0.70 Å, room-temperature crystal structure of crambin is the highest-resolution ambient-temperature structure of a ...
Julian C.-H. Chen, Miroslaw Gilski, Changsoo Chang, Dominika Borek, Gerd Rosenbaum, Alex Lavens, Zbyszek Otwinowski, Maciej Kubicki, Zbigniew Dauter, Mariusz Jaskolski, Andrzej Joachimiak   +10 more
doaj   +1 more source

Accelerating Materials Discovery: A Review of Machine Learning in X‐Ray Absorption Spectroscopy

Advanced Intelligent Systems, EarlyView.
This review systematically details how machine learning transforms X‐ray absorption spectroscopy (XAS) analysis. It covers advanced deep learning architectures for structure‐spectra mapping and inverse tasks, while discussing key challenges like the simulation‐to‐reality gap.
Melaku Lake Tegegne, Haodong Yao, Liyuan Wu, Yihe Pang, Fazhi Qi, Lina Zhao   +5 more
wiley   +1 more source

Unveiling the Complete Biosynthetic Pathway of Azacitidine: A Rare 1,3,5‐Triazine Nucleoside Derived From GTP

Angewandte Chemie, EarlyView.
The azacitidine biosynthetic gene cluster (aza BGC) was identified by the resistance‐gene‐guided comparative genomics method in Streptomyces mobaraensis IPIO2. The complete biosynthetic pathway of azacitidine, which follows a “base‐first‐then‐glycosylation” logic, was elucidated through in vivo and in vitro experiments.
Dan Wang, Qingxu Meng, Lingqi Hua, Mengjun Sun, Qianjin Kang, Min‐Juan Xu, Linquan Bai   +6 more
wiley   +2 more sources

Beyond Nature's Blueprint: Macrocyclic Peptides Containing Unnatural Amino Acids in Therapeutic Development

Angewandte Chemie, EarlyView.
Strategic incorporation of unnatural amino acids transforms macrocyclic peptides into drug‐like molecules capable of engaging challenging targets. These building blocks enhance stability, permeability, and bioavailability, accelerating the development of next‐generation peptide therapeutics.
Krishna K. Sharma, Komal Sharma, Anku Sharma, Kamya Rao, Rahul Jain, Brett VanVeller   +5 more
wiley   +2 more sources

Cysteine Thioaldehydes: Photolytic Generation, Reactivity, and Biological Implications

Angewandte Chemie, EarlyView.
Photolysis of cysteine phenacylsulfides bearing non‐conjugating electron‐withdrawing substituents leads to high conversions into cysteine thioaldehydes through a Norrish type‐II pathway. This methodology enabled the study of the aqueous reactivity of these important biosynthetic intermediates, which, depending on peptide sequence, pH and buffer ...
Ardra Karthika, Matthew Murray, Guillermo Palop, Lee‐Ann J. Keane, Patrick McArdle, Nicholas D. J. Yates, Christopher D. Spicer, Alison Parkin, Martin A. Fascione, Eddie L. Myers   +9 more
wiley   +2 more sources

Breakthrough Design of Highly Potent Antivirals Against Wild‐Type HIV‐1 and Lenacapavir‐Resistant M66I Variant

Angewandte Chemie, EarlyView.
Lenacapavir, the first‐in‐class drug targeting HIV‐1 capsid, is a breakthrough drug in HIV‐1 treatment and prophylaxis. However, a single M66I mutation confers complete viral resistance to lenacapavir. We report herein the design and synthesis of innovative R2 analogs demonstrating low nM potency against HIV‐1 M66I and excellent pharmacokinetics in ...
Nicolas Jamey, D. M. Nirosh Udayanga, Huanchun Zhang, Roshan Katekar, Wei Xie, Shreya M. Ravichandran, Xinyong Cai, Zachary C. Lorson, William M. McFadden, Won Hee Ryu, Jiashu Xie, Karen A. Kirby, Stefan G. Sarafianos, Zhengqiang Wang   +13 more
wiley   +2 more sources

Extending Small‐Molecule Aptamer Discovery Principles to Protein Targets: Selection and Characterization of Green Fluorescent Protein Aptamers

Angewandte Chemie, EarlyView.
Protein‐binding aptamers remain poorly understood compared to their small‐molecule counterparts. Using green fluorescent protein (GFP) variants as a tractable model system, we show how subtle changes in protein surface composition and divalent metal ions reshape aptamer selection, specificity, and binding.
Stefen Stangherlin, Nathan Wong, Logan Fanning, Kate Kim, Peter Kim, Iffat Tabassum, Songyang Miao, Rui Huang, Juewen Liu   +8 more
wiley   +2 more sources

Diversity‐Oriented Two‐Step Annulative π‐Extension Enables Access to Structurally Complex Nanographenes

Angewandte Chemie, EarlyView.
Pd‐catalyzed C–H arylation of polycyclic aromatic hydrocarbons (PAHs) with various aryltrimethylsilanes enables the preparation of structurally complicated arylated PAHs, which can be further transformed to nanographenes in a manner of two‐step annulative π‐extension (APEX) reaction.
Honami Katsuragawa, Yoshifumi Toyama, Shota Mikawa, Kou P. Kawahara, Hideto Ito, Kenichiro Itami   +5 more
wiley   +2 more sources

De Novo Discovery of Nonstandard Thioisoindole‐Bridged Bicyclic Peptides Targeting Traf2‐ and NCK‐Interacting Kinase

Angewandte Chemie, EarlyView.
An optimized strategy for the ribosomal synthesis of thioisoindole‐bridged bicyclic (TiB) peptides is incorporated into the RaPID platform, enabling high‐throughput discovery from topologically defined TiB libraries. Proof‐of‐concept selection against TNIK identifies nanomolar‐affinity ligands with inhibitory activity, while x‐ray crystallography ...
Yue Zhang, Alexander A. Vinogradov, Keisuke Hamada, Yin Sun, Toru Sengoku, Hiroaki Suga   +5 more
wiley   +2 more sources

Hydrogen‐Bonding Order Associated With Radical Delocalization in Layered Organic Cathode Materials

Angewandte Chemie, EarlyView.
“TAQ” and TAPT share the same pyrazine‐based molecular structure but differ in degree of crystallinity. Combined x‐ray scattering, solid‐state NMR, MicroED, and EPR reveal that “TAQ”'s higher crystallinity and ordered hydrogen‐bonding network are associated with enhanced radical delocalization and conductivity, highlighting structural order as a design
Alae Eddine Lakraychi, Zeqian Zhang, Oliver Lin, Eric D Walter, Jiaqi Wang, Harshan Reddy Gopidi, Eliot F. Woods, Ruozhu Feng, Wei Wang, Pieremanuele Canepa, Brett A. Helms, Kamila M. Wiaderek, Qian Chen, Yan Yao, Ying Chen   +14 more
wiley   +2 more sources