Results 41 to 50 of about 14,121 (262)

Zinc: Multidimensional Effects on Living Organisms

open access: yesBiomedicines, 2021
Zinc is a redox-inert trace element that is second only to iron in abundance in biological systems. In cells, zinc is typically buffered and bound to metalloproteins, but it may also exist in a labile or chelatable (free ion) form.
Math P. Cuajungco   +2 more
doaj   +1 more source

Computational Treatment of Metalloproteins [PDF]

open access: yesThe Journal of Physical Chemistry B, 2015
Metalloproteins present a considerable challenge for modeling, especially when the starting point is far from thermodynamic equilibrium. Examples include formidable problems such as metalloprotein folding and structure prediction upon metal addition, removal, or even just replacement; metalloenzyme design, where stabilization of a transition state of ...
Nechay, Michael R   +2 more
openaire   +4 more sources

Crystal structures of the NO sensor NsrR reveal how its iron-sulfur cluster modulates DNA binding

open access: yesNature Communications, 2017
NsrR is a bacterial transcriptional regulator that acts as a nitric oxide (NO) sensor. Here, the authors present the crystal structure of NsrR, which reveals an unusual Fe-S cluster coordination and explains how NO exposure leads to the degradation of ...
Anne Volbeda   +7 more
doaj   +1 more source

The Binding Mode of the Sonic Hedgehog Inhibitor Robotnikinin, a Combined Docking and QM/MM MD Study

open access: yesFrontiers in Chemistry, 2017
Erroneous activation of the Hedgehog pathway has been linked to a great amount of cancerous diseases and therefore a large number of studies aiming at its inhibition have been carried out. One leverage point for novel therapeutic strategies targeting the
Manuel Hitzenberger   +3 more
doaj   +1 more source

Decorin Is a Zn2+ Metalloprotein [PDF]

open access: yesJournal of Biological Chemistry, 1999
Decorin is ubiquitously distributed in the extracellular matrix of mammals and a member of the proteoglycan family characterized by a core protein dominated by leucine-rich repeat motifs. We show here that decorin extracted from bovine tissues under denaturing conditions or produced in recombinant "native" form by cultured mammalian cells has a high ...
V W, Yang   +4 more
openaire   +2 more sources

NMR of Paramagnetic Proteins: 13C Derived Paramagnetic Relaxation Enhancements Are an Additional Source of Structural Information in Solution

open access: yesMagnetochemistry, 2023
In paramagnetic metalloproteins, longitudinal relaxation rates of 13C′ and 13Cα nuclei can be measured using 13C detected experiments and converted into electron spin-nuclear spin distance restraints, also known as Paramagnetic Relaxation Enhancement ...
Leonardo Querci   +6 more
doaj   +1 more source

A Case of Multiple Mitochondrial Dysfunctions Syndrome 1 and Review of the Literature

open access: yesAmerican Journal of Medical Genetics Part A, EarlyView.
ABSTRACT Multiple mitochondrial dysfunctions syndrome 1 (MMDS1, MIM #605711) due to NFU1 gene defects is an ultra‐rare autosomal recessive inborn error of metabolism associated with reduced function of NFU1 iron–sulfur cluster (ISC) scaffold protein.
Charles R. DiFalco   +6 more
wiley   +1 more source

Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins

open access: yesIUCrJ, 2019
An approach is demonstrated to obtain, in a sample- and time-efficient manner, multiple dose-resolved crystal structures from room-temperature protein microcrystals using identical fixed-target supports at both synchrotrons and X-ray free-electron lasers
Ali Ebrahim   +14 more
doaj   +1 more source

Automatically Constructed Neural Network Potentials for Molecular Dynamics Simulation of Zinc Proteins

open access: yesFrontiers in Chemistry, 2021
The development of accurate and efficient potential energy functions for the molecular dynamics simulation of metalloproteins has long been a great challenge for the theoretical chemistry community.
Mingyuan Xu   +6 more
doaj   +1 more source

Metalloproteomics, metalloproteomes, and the annotation of metalloproteins

open access: yes, 2010
Metalloproteomics includes approaches that address the expression of metalloproteins and their changes in biological time and space. Metalloproteomes are investigated by a combination of approaches.
Maret, Wolfgang
core   +1 more source

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