Peptide bonds strike back [0.03%]
肽键反击了
Ashwin Chari
Ashwin Chari
Recent advances in protein design and protein structure prediction have questioned whether experimental structural biology still has a role to play in research today. The article by Panjikar and Weiss [(2025). IUCrJ, 12, https://doi.org/10....
Roman Gajda,Michał Chodkiewicz,Dongzhou Zhang et al.
Roman Gajda et al.
In the refinement of the crystal structures of ice, the best results obtained so far have been with neutron diffraction because the most troublemaking aspects are the hydrogen atoms. In nine out of twenty ice structures, the hydrogen atoms ...
A large, general and modular DARPin-apoferritin scaffold enables the visualization of small proteins by cryo-EM [0.03%]
一种大型、通用且模块化的DARPin- apoferritin支架可通过冷冻电镜对小蛋白进行可视化研究
Xin Lu,Ming Yan,Yang Cai et al.
Xin Lu et al.
Single-particle cryo-electron microscopy (cryo-EM) has emerged as an indispensable technique in structural biology that is pivotal for deciphering protein architectures. However, the medium-sized proteins (30-40 kDa) that are prevalent in b...
Instrumentation and methods for efficient time-resolved X-ray crystallography of biomolecular systems with sub-10 ms time resolution [0.03%]
一种有效进行生物大分子体系亚10毫秒时间分辨X射线晶体学的研究方法及装置
John A Indergaard,Kashfia Mahmood,Leo Gabriel et al.
John A Indergaard et al.
Time-resolved X-ray crystallography has great promise to illuminate structure-function relations and key steps of enzymatic reactions with atomic resolution. The dominant methods for chemically-initiated reactions require complex instrument...
Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography [0.03%]
L-丙氨酸和牛磺酸结构因子的准确温度依赖性用于量子晶体学研究
Mibuki Hayashi,Takashi Nishioka,Hidetaka Kasai et al.
Mibuki Hayashi et al.
Multi-temperature high-quality structure factors of L-alanine and taurine were re-measured at the SPring-8 BL02B1 beamline for method development in quantum crystallography. The quality of the data was evaluated by comparison with previous ...
Electrostatic landscapes in crystal engineering: a new perspective on synthons [0.03%]
结晶工程中的静电景观：关于合成子的新视角
Alexander S Novikov
Alexander S Novikov
The design of crystalline solids relies on understanding and controlling intermolecular and intramolecular interactions. Through theoretical charge density analysis and database mining, Shukla et al. [(2025). IUCrJ, 12, https://doi.org/10.1...
Damage before destruction? X-ray-induced changes in single-pulse serial femtosecond crystallography [0.03%]
损伤前的破坏吗？单脉冲序列飞秒结晶学中的X射线诱导变化
Lewis J Williams,Amy J Thompson,Philipp Dijkstal et al.
Lewis J Williams et al.
Serial femtosecond crystallography (SFX) exploits extremely brief X-ray free-electron laser pulses to obtain diffraction data before destruction of the crystal. However, during the pulse X-ray-induced site-specific radiation damage can occu...
The origin of synthons and supramolecular motifs: beyond atoms and functional groups [0.03%]
超越原子与官能团的合成子和超分子母体的起源
Rahul Shukla,Emmanuel Aubert,Mariya Brezgunova et al.
Rahul Shukla et al.
A four-membered R22(4) supramolecular motif formed by S...S and S...I chalcogen-bonding interactions in the crystal structure of 4-iodo-1,3-dithiol-2-one (C3HIOS2, IDT) is analysed and compared with a similar R22(4) motif (stabilized by Se....
Solid-state calculations for iterative refinement in quantum crystallography using the multipole model [0.03%]
基于多极子模型的量子晶体学迭代完善的固态计算
Michael Patzer,Christian W Lehmann
Michael Patzer
A quantum crystallographic refinement methodology has been developed using theoretical multipole parameters generated directly from solid-state calculations using the CRYSTAL17 program. This refinement method is comparable to other transfer...
Peptide bonds revisited [0.03%]
重新审视肽键
Santosh Panjikar,Manfred S Weiss
Santosh Panjikar
Understanding the structural and chemical properties of peptide bonds within protein secondary structures is vital for elucidating their roles in protein folding, stability and function. This study examines the distinct characteristics of p...