Tunnel dynamics of quinone derivatives and its coupling to protein conformational rearrangements in respiratory complex I

The coupling mechanism of mammalian mitochondrial complex I

(2022) Jinke Gu et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Docking and molecular simulations reveal a quinone‐binding site on the surface of respiratory complex I

(2022) Amina Djurabekova et al.   FEBS LETTERS

Cryo-EM structures define ubiquinone-10 binding to mitochondrial complex I and conformational transitions accompanying Q-site occupancy

(2022) Injae Chung et al.   Nature Communications

A universal coupling mechanism of respiratory complex I

(2022) Vladyslav Kravchuk et al.   NATURE

A Quinol Anion as Catalytic Intermediate Coupling Proton Translocation With Electron Transfer in E. coli Respiratory Complex I

(2021) Franziska Nuber et al.   Frontiers in Chemistry

Ubiquinone Binding and Reduction by Complex I—Open Questions and Mechanistic Implications

(2021) Etienne Galemou Yoga et al.   Frontiers in Chemistry

Deactivation blocks proton pathways in the mitochondrial complex I

(2021) Michael Röpke et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

High-resolution structure and dynamics of mitochondrial complex I—Insights into the proton pumping mechanism

(2021) Kristian Parey et al.   Science Advances

Using a chimeric respiratory chain and EPR spectroscopy to determine the origin of semiquinone species previously assigned to mitochondrial complex I

(2020) John J. Wright et al.   BMC BIOLOGY

Mitochondrial complex I structure reveals ordered water molecules for catalysis and proton translocation

(2020) Daniel N. Grba et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Hydrogen bond network analysis reveals the pathway for the proton transfer in the E-channel of T. thermophilus Complex I

(2020) Umesh Khaniya et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

The coupling mechanism of mammalian respiratory complex I

(2020) Domen Kampjut et al.   SCIENCE

Key role of quinone in the mechanism of respiratory complex I

(2020) Javier Gutiérrez-Fernández et al.   Nature Communications

Mammalian Respiratory Complex I Through the Lens of Cryo-EM

(2019) Ahmed-Noor A. Agip et al.   Annual Review of Biophysics

Role of Second Quinone Binding Site in Proton Pumping by Respiratory Complex I

(2019) Outi Haapanen et al.   Frontiers in Chemistry

Balanced internal hydration discriminates substrate binding to respiratory complex I

(2019) Murilo Hoias Teixeira et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

Mutations in a conserved loop in the PSST subunit of respiratory complex I affect ubiquinone binding and dynamics

(2019) Etienne Galemou Yoga et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

Long-range proton-coupled electron transfer in biological energy conversion: towards mechanistic understanding of respiratory complex I

(2018) Ville R. I. Kaila   Journal of the Royal Society Interface

Redox-coupled quinone dynamics in the respiratory complex I

(2018) Judith Warnau et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Cryo-EM structure of respiratory complex I at work

(2018) Kristian Parey et al.   eLife

Correlating kinetic and structural data on ubiquinone binding and reduction by respiratory complex I

(2017) Justin G. Fedor et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Role of water and protein dynamics in proton pumping by respiratory complex I

(2017) Outi Haapanen et al.   Scientific Reports

Mechanism of the Primary Charge Transfer Reaction in the Cytochrome bc1 Complex

(2016) Angela M. Barragan et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Spontaneous Binding of Molecular Oxygen at the Qo-Site of the bc1 Complex Could Stimulate Superoxide Formation

(2016) Peter Husen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Partition, orientation and mobility of ubiquinones in a lipid bilayer

(2015) Vanesa Viviana Galassi et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

Semiquinone intermediates are involved in the energy coupling mechanism of E. coli complex I

(2015) Madhavan Narayanan et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

New Perspectives on Proton Pumping in Cellular Respiration

(2015) Mårten Wikström et al.   CHEMICAL REVIEWS

A giant molecular proton pump: structure and mechanism of respiratory complex I

(2015) Leonid A. Sazanov   NATURE REVIEWS MOLECULAR CELL BIOLOGY

Redox-induced activation of the proton pump in the respiratory complex I

(2015) Vivek Sharma et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Crystal structure of the entire respiratory complex I

(2013) Rozbeh Baradaran et al.   NATURE

Tracing the tail of ubiquinone in mitochondrial complex I

(2012) Heike Angerer et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

EPR detection of two protein-associated ubiquinone components (SQNf and SQNs) in the membrane in situ and in proteoliposomes of isolated bovine heart complex I

(2012) Tomoko Ohnishi et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types

(2010) Jeffery B. Klauda et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Density Functional Theory Calculation of Bonding and Charge Parameters for Molecular Dynamics Studies on [FeFe] Hydrogenases

(2009) Christopher H. Chang et al.   Journal of Chemical Theory and Computation

Exploring the inhibitor binding pocket of respiratory complex I

(2008) Uta Fendel et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

CHARMM-GUI: A web-based graphical user interface for CHARMM

(2008) Sunhwan Jo et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

P-LINCS:  A Parallel Linear Constraint Solver for Molecular Simulation

(2007) Berk Hess   Journal of Chemical Theory and Computation