Elementary Reactions in the Functional Triads of the Blue-Light Photoreceptor BLUF Domain

XW Kang, K Wang, X Zhang, D Zhong… - The Journal of Physical …, 2024 - ACS Publications
The blue light using the flavin (BLUF) domain is one of the smallest photoreceptors in
nature, which consists of a unique bidirectional electron-coupled proton relay process in its …

Neutron crystallography of copper amine oxidase reveals keto/enolate interconversion of the quinone cofactor and unusual proton sharing

T Murakawa, K Kurihara, M Shoji… - Proceedings of the …, 2020 - National Acad Sciences
Recent advances in neutron crystallographic studies have provided structural bases for
quantum behaviors of protons observed in enzymatic reactions. Thus, we resolved the …

Unusual spectroscopic and electric field sensitivity of chromophores with short hydrogen bonds: GFP and PYP as model systems

CY Lin, SG Boxer - The Journal of Physical Chemistry B, 2020 - ACS Publications
Short hydrogen bonds, with heavy-atom distances less than 2.7 Å, are believed to exhibit
proton delocalization, and their possible role in catalysis has been widely debated. While …

New mechanistic insight from substrate-and product-bound structures of the metal-dependent dimethylsulfoniopropionate lyase DddQ

AE Brummett, M Dey - Biochemistry, 2016 - ACS Publications
The marine microbial catabolism of dimethylsulfoniopropionate (DMSP) by the lyase
pathway liberates∼ 300 million tons of dimethyl sulfide (DMS) per year, which plays a major …

Understanding the dielectric properties of water

DC Elton - 2016 - search.proquest.com
Liquid water is a complex material with many anomalous properties. Three of these
anomalies are an abnormally high dielectric constant, an abnormally high boiling point, and …

Application of a modern theoretical approach to the study of the interaction of KR-12 peptides derived from human cathelicidins with Cu (II) ions

J Brzeski, D Wyrzykowski, J Makowska - Dalton Transactions, 2024 - pubs.rsc.org
The human cationic antimicrobial protein (hCAP) corresponding to the overlapping
sequences of 151–162 of hCAP named KR-12 peptide is the smallest portion of the only …

Electronic and Nuclear Quantum Effects on Proton Transfer Reactions of Guanine–Thymine (GT) Mispairs Using Combined Quantum Mechanical/Molecular …

Y Tao, TJ Giese, DM York - Molecules, 2024 - mdpi.com
Rare tautomeric forms of nucleobases can lead to Watson–Crick-like (WC-like) mispairs in
DNA, but the process of proton transfer is fast and difficult to detect experimentally. NMR …

Temperature driven transformations of glycine molecules embedded in interstellar ice

M Yusef-Buey, T Mineva, D Talbi… - Physical Chemistry …, 2024 - pubs.rsc.org
The formation of glycine amino acid on ice grains in space raises fundamental questions
about glycine chemistry in interstellar media. In this work, we studied glycine conformational …

The low barrier hydrogen bond in the photoactive yellow protein: A vacuum artifact absent in the crystal and solution

T Graen, L Inhester, M Clemens… - Journal of the …, 2016 - ACS Publications
There has been considerable debate on the existence of a low-barrier hydrogen bond
(LBHB) in the photoactive yellow protein (PYP). The debate was initially triggered by the …

Origin of Stereoselectivity and Substrate/Ligand Recognition in an FAD-Dependent R-Selective Amine Oxidase

S Nakano, K Yasukawa, T Tokiwa… - The Journal of …, 2016 - ACS Publications
Elucidation of the molecular mechanism of amine oxidases (AOx) will help to extend their
reactivity by rational design and their application to deracemization of various amine …