Crystal structures of protein-bound cyclic peptides

AK Malde, TA Hill, A Iyer, DP Fairlie - Chemical Reviews, 2019 - ACS Publications
Cyclization is an important post-translational modification of peptides and proteins that
confers key advantages such as protection from proteolytic degradation, altered solubility …

[HTML][HTML] Neutron crystallography for the study of hydrogen bonds in macromolecules

E Oksanen, JCH Chen, SZ Fisher - Molecules, 2017 - mdpi.com
The hydrogen bond (H bond) is one of the most important interactions that form the
foundation of secondary and tertiary protein structure. Beyond holding protein structures …

Advances in protein and small-molecule charge-density refinement methods using MoPro

C Jelsch, B Guillot, A Lagoutte… - Applied …, 2005 - journals.iucr.org
With an increasing number of biological macromolecule structures solved at ultra-high
resolution and with the advances of supramolecular chemistry, it becomes necessary to …

The backrub motion: how protein backbone shrugs when a sidechain dances

IW Davis, WB Arendall, DC Richardson, JS Richardson - Structure, 2006 - cell.com
Surprisingly, the frozen structures from ultra-high-resolution protein crystallography reveal a
prevalent, but subtle, mode of local backbone motion coupled to much larger, two-state …

Charge-density analysis of an iron–sulfur protein at an ultra-high resolution of 0.48 Å

Y Hirano, K Takeda, K Miki - Nature, 2016 - nature.com
The fine structures of proteins, such as the positions of hydrogen atoms, distributions of
valence electrons and orientations of bound waters, are critical factors for determining the …

On the application of an experimental multipolar pseudo-atom library for accurate refinement of small-molecule and protein crystal structures

B Zarychta, V Pichon-Pesme, B Guillot… - Foundations of …, 2007 - journals.iucr.org
With an increasing number of biomacromolecular crystal structures being measured to ultra-
high resolution, it has become possible to extend to large systems experimental charge …

Insights into the serine protease mechanism from atomic resolution structures of trypsin reaction intermediates

ES Radisky, JM Lee, CJK Lu… - Proceedings of the …, 2006 - pnas.org
Atomic resolution structures of trypsin acyl-enzymes and a tetrahedral intermediate analog,
along with previously solved structures representing the Michaelis complex, are used to …

Crystal structure of fatty acid amide hydrolase bound to the carbamate inhibitor URB597: discovery of a deacylating water molecule and insight into enzyme …

M Mileni, S Kamtekar, DC Wood, TE Benson… - Journal of molecular …, 2010 - Elsevier
The endocannabinoid system regulates a wide range of physiological processes including
pain, inflammation, and cognitive/emotional states. URB597 is one of the best characterized …

Solvation free energy as a measure of hydrophobicity: application to serine protease binding interfaces

J Kraml, AS Kamenik, F Waibl… - Journal of chemical …, 2019 - ACS Publications
Solvation and hydrophobicity play a key role in a variety of biological mechanisms. In
substrate binding, but also in structure-based drug design, the thermodynamic properties of …

Triclinic lysozyme at 0.65 Å resolution

J Wang, M Dauter, R Alkire, A Joachimiak… - Biological …, 2007 - journals.iucr.org
The crystal structure of triclinic hen egg-white lysozyme (HEWL) has been refined against
diffraction data extending to 0.65 Å resolution measured at 100 K using synchrotron …