Quinone Catalysis Modulates Proton Transfer Reactions in the Membrane Domain of Respiratory Complex I

Cryo-EM structures of mitochondrial respiratory complex I from Drosophila melanogaster

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Resting mitochondrial complex I from Drosophila melanogaster adopts a helix-locked state

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The coupling mechanism of mammalian mitochondrial complex I

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Molecular Principles of Redox-Coupled Protonation Dynamics in Photosystem II

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Structures of Tetrahymena ’s respiratory chain reveal the diversity of eukaryotic core metabolism

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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

Respiratory complex I with charge symmetry in the membrane arm pumps protons

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Single protonation of the reduced quinone in respiratory complex I drives four‐proton pumping

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A universal coupling mechanism of respiratory complex I

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Electric fields control water-gated proton transfer in cytochrome c oxidase

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Making the leap from structure to mechanism: are the open states of mammalian complex I identified by cryoEM resting states or catalytic intermediates?

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Pair-Reaction Dynamics in Water: Competition of Memory, Potential Shape, and Inertial Effects

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Conformational changes in mitochondrial complex I of the thermophilic eukaryote Chaetomium thermophilum

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Molecular strain in the active/deactive-transition modulates domain coupling in respiratory complex I

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Architecture of bacterial respiratory chains

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Structural basis for a complex I mutation that blocks pathological ROS production

(2021) Zhan Yin et al.   Nature Communications

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

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Deactivation blocks proton pathways in the mitochondrial complex I

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Resolving Chemical Dynamics in Biological Energy Conversion: Long-Range Proton-Coupled Electron Transfer in Respiratory Complex I

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Structure of the peripheral arm of a minimalistic respiratory complex I

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

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TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations

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Charge Transfer and Chemo-Mechanical Coupling in Respiratory Complex I

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Conformational dynamics modulate the catalytic activity of the molecular chaperone Hsp90

(2020) Sophie L. Mader et al.   Nature Communications

Scalable molecular dynamics on CPU and GPU architectures with NAMD

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Water-Gated Proton Transfer Dynamics in Respiratory Complex I

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

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

Structure of the dimeric ATP synthase from bovine mitochondria

(2020) Tobias E. Spikes et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The coupling mechanism of mammalian respiratory complex I

(2020) Domen Kampjut et al.   SCIENCE

Structure of inhibitor-bound mammalian complex I

(2020) Hannah R. Bridges et al.   Nature Communications

Functional Water Wires Catalyze Long-Range Proton Pumping in the Mammalian Respiratory Complex I

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How cardiolipin modulates the dynamics of respiratory complex I

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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

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

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High-resolution cryo-EM structures of respiratory complex I: Mechanism, assembly, and disease

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Global collective motions in the mammalian and bacterial respiratory complex I

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

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Cryo-EM structures of complex I from mouse heart mitochondria in two biochemically defined states

(2018) Ahmed-Noor A. Agip et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Structure of the Deactive State of Mammalian Respiratory Complex I

(2018) James N. Blaza et al.   STRUCTURE

Cryo-EM structures of complex I from mouse heart mitochondria in two biochemically defined states

(2018) Ahmed-Noor A. Agip et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

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

Mammalian Mitochondrial Complex I Structure and Disease-Causing Mutations

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Locking loop movement in the ubiquinone pocket of complex I disengages the proton pumps

(2018) Alfredo Cabrera-Orefice et al.   Nature Communications

Terminal Electron–Proton Transfer Dynamics in the Quinone Reduction of Respiratory Complex I

(2017) Ana P. Gamiz-Hernandez et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

Symmetry-related proton transfer pathways in respiratory complex I

(2017) Andrea Di Luca 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

Structure of mammalian respiratory complex I

(2016) Jiapeng Zhu et al.   NATURE

Atomic structure of the entire mammalian mitochondrial complex I

(2016) Karol Fiedorczuk et al.   NATURE

New Perspectives on Proton Pumping in Cellular Respiration

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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

Mechanistic insight from the crystal structure of mitochondrial complex I

(2015) V. Zickermann et al.   SCIENCE

Characterisation of the active/de-active transition of mitochondrial complex I

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The CHARMM-TURBOMOLE interface for efficient and accurate QM/MM molecular dynamics, free energies, and excited state properties

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Hydrated Excess Protons Can Create Their Own Water Wires

(2014) Yuxing Peng et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Electrostatics, hydration, and proton transfer dynamics in the membrane domain of respiratory complex I

(2014) V. R. I. Kaila et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Mitochondrial Complex I

(2013) Judy Hirst   Annual Review of Biochemistry

Oxidoreduction properties of bound ubiquinone in Complex I from Escherichia coli

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Pre-selective screening for matrix elements in linear-scaling exact exchange calculations

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Crystal structure of the entire respiratory complex I

(2013) Rozbeh Baradaran et al.   NATURE

Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles

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A two-state stabilization-change mechanism for proton-pumping complex I

(2011) Ulrich Brandt   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

Superoxide Is Produced by the Reduced Flavin in Mitochondrial Complex I

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Mutagenesis of the L, M, and N Subunits of Complex I from Escherichia coli Indicates a Common Role in Function

(2011) Jose Michel et al.   PLoS One

Functional Dissection of the Proton Pumping Modules of Mitochondrial Complex I

(2011) Stefan Dröse et al.   PLOS BIOLOGY

Functional Modules and Structural Basis of Conformational Coupling in Mitochondrial Complex I

(2010) C. Hunte et al.   SCIENCE

Critical Roles of Subunit NuoH (ND1) in the Assembly of Peripheral Subunits with the Membrane Domain ofEscherichia coliNDH-1

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CHARMM: The biomolecular simulation program

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How mitochondria produce reactive oxygen species

(2008) Michael P. Murphy   BIOCHEMICAL JOURNAL

Conserved lysine residues of the membrane subunit NuoM are involved in energy conversion by the proton-pumping NADH:ubiquinone oxidoreductase (Complex I)

(2008) Liliya Euro et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

Real-time electron transfer in respiratory complex I

(2008) M. L. Verkhovskaya et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Electrostatic basis for the unidirectionality of the primary proton transfer in cytochrome c oxidase

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