Publications associées à Métalloprotéine

Advancing first principle-based molecular dynamics of biological systems with machine learning

Molecular dynamics (MD) simulations have emerged as a transformative approach to analyse molecular systems at the atomic level, offering valuable insights into complex biological processes. Many biological phenomena can only accurately be described by inco ...

EPFL2023

The Function of Two Radical-SAM Enzymes, HcgA and HcgG, in the Biosynthesis of the [Fe]-Hydrogenase Cofactor

Xile Hu, Huijie Pan, Yiwei Zheng

In the biosynthesis of the iron-guanylylpyridinol (FeGP) cofactor, 6-carboxymethyl-5-methyl-4-hydroxy-2-pyridinol (1) is 3-methylated to form 2, then 4-guanylylated to form 3, and converted into the full cofactor. HcgA-G proteins catalyze the biosynthetic ...

Wiley-VCH Verlag GmbH2022

Multimodal Response to Copper Binding in Superoxide Dismutase Dynamics

David Lyndon Emsley

Copper/zinc superoxide dismutase (SOD) is a homodimeric metalloenzyme that has been extensively studied as a benchmark for structure-function relationships in proteins, in particular because of its implication in the familial form of the neurodegenerative ...

AMER CHEMICAL SOC2020

High-Valent Nickel Promoted by Atomically Embedded Copper for Efficient Water Oxidation

Jun Li, Ning Wang, Yun Liu, Bo Zhang

Efficient and low-cost electrocatalysts for oxygen evolution reaction (OER), particularly in neutral conditions, are of significant importance for renewable energy technologies such as CO2 reduction and seawater splitting electrolysis. High-valent transiti ...

AMER CHEMICAL SOC2020

The atomic-resolution crystal structure of activated [Fe]-hydrogenase

Xile Hu, Matthew Wodrich

Hydrogenases are promising templates for constructing new H-2-based catalysts. [Fe]-hydrogenase, which features an ironguanylylpyridinol (FeGP) cofactor, catalyses a reversible hydride transfer from H-2 to methenyl-tetrahydromethanopterin (methenyl-H4MPT+, ...

NATURE PUBLISHING GROUP2019

A catalytically active [Mn]-hydrogenase incorporating a non-native metal cofactor

Xile Hu, Farzaneh Fadaei Tirani, Matthew Wodrich, Huijie Pan

Nature carefully selects specific metal ions for incorporation into the enzymes that catalyse the chemical reactions necessary for life. Hydrogenases, enzymes that activate molecular H-2, exclusively utilize Ni and Fe in [NiFe]-, [FeFe]- and [Fe]-hydrogean ...

2019

Towards artificial methanogenesis: biosynthesis of the [Fe]-hydrogenase cofactor and characterization of the semisynthetic hydrogenase

Xile Hu, Tao Xu, Lichen Bai

The greenhouse gas and energy carrier methane is produced on Earth mainly by methanogenic archaea. In the hydrogenotrophic methanogenic pathway the reduction of one CO2 to one methane molecule requires four molecules of H-2 containing eight electrons. Four ...

Royal Soc Chemistry2017

Identification of HcgC as a SAM-Dependent Pyridinol Methyltransferase in [Fe]-Hydrogenase Cofactor Biosynthesis

Xile Hu, Tao Xu, Lichen Bai

Previous retrosynthetic and isotope-labeling studies have indicated that biosynthesis of the iron guanylylpyridinol (FeGP) cofactor of [Fe]-hydrogenase requires a methyltransferase. This hypothetical enzyme covalently attaches the methyl group at the 3-pos ...

Wiley-Blackwell2016

A Functional Model of [Fe]-Hydrogenase

Rosario Scopelliti, Xile Hu, Matthew Wodrich, Tao Xu, Simona Mazza

[Fe]-Hydrogenase catalyzes the hydrogenation of a biological substrate via the heterolytic splitting of molecular hydrogen. While many synthetic models of [Fe]-hydrogenase have been prepared, none yet are capable of activating H-2 on their own. Here, we re ...

American Chemical Society2016

Surface functionalization of dinuclear clathrochelates via Pd-catalyzed cross-coupling reactions: facile synthesis of polypyridyl metalloligands

Rosario Scopelliti, Kay Severin, Philip Pattison, Euro Solari, Giacomo Cecot, Mathieu Jérémie Marmier

Dinuclear clathrochelate complexes are easily accessible by reaction of zinc(II) triflate or cobalt(II) nitrate with arylboronic acids and phenoldioximes. The utilization of brominated arylboronic acids and/or brominated phenoldioximes allows preparing cla ...

2016

Photo-induced oxidation of the uniquely liganded heme f in the cytochrome b(6)f complex of oxygenic photosynthesis

Frank van Mourik, Andre Al Haddad, Adrien Alexis Paul Chauvet, Rachna Agarwal

The ultrafast behavior of the ferrous heme f from the cytochrome b(6)f complex of oxygenic photosynthesis is revealed by means of transient absorption spectroscopy. Benefiting from the use of microfluidic technologies for handling the sample as well as fro ...

Royal Society of Chemistry2016

Electrochemical behaviour of ferrocenes in tributylmethylphosphonium methyl sulfate mixtures with water and 1,2-dichloroethane

Thomas James Stockmann, Zhifeng Ding

Electron transfer (ET) reactions in ionic liquid (IL)vertical bar organic solvent (1,2-dichloroethane, DCE) and IL vertical bar water mixtures were investigated using a Pt disk ultramicroelectrode (UME) along with ferrocene (Fc) and ferrocenemethanol (FcCH ...

Canadian Science Publishing, Nrc Research Press2015

Multiscattering-enhanced optical biosensor: multiplexed, non-invasive and continuous measurements of cellular processes

Christian Santschi, Olivier Martin, Volodymyr Koman

The continuous measurement of uptake or release of biomarkers provides invaluable information for understanding and monitoring the metabolism of cells. In this work, a multiscattering-enhanced optical biosensor for the multiplexed, non-invasive, and contin ...

Optical Soc Amer2015

Photo-induced dynamics of the heme centers in cytochrome bc(1)

Majed Chergui, Frank van Mourik, Andre Al Haddad, Adrien Alexis Paul Chauvet

The ultrafast response of cytochrome bc1 is investigated for the first time, via transient absorption spectroscopy. The distinct redox potentials of both c(1)- and b-hemes allow for a clear differentiation of their respective signals. We find that while th ...

Royal Society of Chemistry2015

Probing the electronic and geometric structure of ferric and ferrous myoglobins in physiological solutions by Fe K-edge absorption spectroscopy

Majed Chergui, Ursula Röthlisberger, Ivano Tavernelli, Thomas James Penfold, Marco Eli Reinhard, Frederico Alves Lima

We present an iron K-edge X-ray absorption study of carboxymyoglobin (MbCO), nitrosylmyoglobin (MbNO), oxymyoglobin (MbO(2)), cyanomyoglobin (MbCN), aquomet myoglobin (metMb) and unligated myoglobin (deoxyMb) in physiological media. The analysis of the XAN ...

2014

H-1 and O-17 NMR Relaxometric and Computational Study on Macrocyclic Mn(II) Complexes

Lothar Helm

Herein we report a detailed H-1 and O-17 relaxometric investigation of Mn(II) complexes with cyclenbased ligands such as 2-(1,4,7,10-tetraazacyclododecan-1-yl)acetic acid (DO IA), 2,2 '-(1,4,7,10-tetraazacyclododecane-1,4-diyI)diacetic acid (1,4-DO2A), 2,2 ...

American Chemical Society2013

Synthesis, structural characterization, and antibacterial activity of mononuclear cobalt(III) azido complexes of two pentadentate Schiff bases derived from 2-hydroxynaphthaldehyde

Kurt Schenk, Farzaneh Fadaei Tirani

The structural, spectroscopic, and electrochemical properties of [Co{(naph)(2)dien}(N-3)] and [Co{(naph)(2)dpt}(N-3)], where (naph)(2)dien=bis-(2-hydroxy-1-naphthaldimine)-N-diethylenetriaminedianion and (naph)(2)dpt=bis-(2-hydroxy-1-naphthaldimine)-N-dipr ...

Taylor & Francis Ltd2013

Electronic Elements Governing the Binding of Small Molecules to a [Fe]-hydrogenase Mimic

Xile Hu, Matthew Wodrich

[Fe]-hydrogenase, one of three types of hydrogenases, activates molecular hydrogen. Here, using DFT computations, we examine the electronic elements governing the binding of small ligands to a recently synthesized [Fe]-hydrogenase biomimic. Computed reacti ...

Wiley-Blackwell2013

Polycyclic Peptide Therapeutics

Christian Heinis, Vanessa Baeriswyl

Owing to their excellent binding properties, high stability, and low off-target toxicity, polycyclic peptides are an attractive molecule format for the development of therapeutics. Currently, only a handful of polycyclic peptides are used in the clinic; ex ...

Wiley-V C H Verlag Gmbh2013

Reversible protonation of a thiolate ligand in an [Fe]-hydrogenase model complex

Rosario Scopelliti, Xile Hu, Dafa Chen

The thiolate ligand in the five-coordinate model complex 1 of [Fe]-hydrogenase is preferentially and reversibly protonated, even in the presence of an acyl ligand. The results suggest that the Cys176 thiolate ligand in [Fe]-hydrogenase can serve as the int ...

Wiley-VCH Verlag GmbH2012