Comprehensive reaction mechanisms at and near the Ni–Fe active sites of [NiFe] hydrogenases

Enzymatic and spectroscopic properties of a thermostable [NiFe]‑hydrogenase performing H 2 -driven NAD + -reduction in the presence of O 2

(2018) Janina Preissler et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

Exploration of H2 binding to the [NiFe]-hydrogenase active site with multiconfigurational density functional theory

(2018) Geng Dong et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Biomimetics of [NiFe]-Hydrogenase: Nickel- or Iron-Centered Proton Reduction Catalysis?

(2017) Hao Tang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

H2 binding to the active site of [NiFe] hydrogenase studied by multiconfigurational and coupled-cluster methods

(2017) Geng Dong et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Interplay of hemilability and redox activity in models of hydrogenase active sites

(2017) Shengda Ding et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structural basis of the redox switches in the NAD+-reducing soluble [NiFe]-hydrogenase

(2017) Y. Shomura et al.   SCIENCE

A matrix of heterobimetallic complexes for interrogation of hydrogen evolution reaction electrocatalysts

(2017) Pokhraj Ghosh et al.   Chemical Science

Proton Transfer in the Catalytic Cycle of [NiFe] Hydrogenases: Insight from Vibrational Spectroscopy

(2017) Philip A. Ash et al.   ACS Catalysis

Proton Inventory and Dynamics in the Nia-S to Nia-C Transition of a [NiFe] Hydrogenase

(2016) Brandon L. Greene et al.   BIOCHEMISTRY

Hydrogenase Enzymes and Their Synthetic Models: The Role of Metal Hydrides

(2016) David Schilter et al.   CHEMICAL REVIEWS

Structure and function of [NiFe] hydrogenases

(2016) Hideaki Ogata et al.   JOURNAL OF BIOCHEMISTRY

Protonation states of intermediates in the reaction mechanism of [NiFe] hydrogenase studied by computational methods

(2016) Geng Dong et al.   JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY

Mechanism of H2 Production by Models for the [NiFe]-Hydrogenases: Role of Reduced Hydrides

(2016) Olbelina A. Ulloa et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Glutamate Gated Proton-Coupled Electron Transfer Activity of a [NiFe]-Hydrogenase

(2016) Brandon L. Greene et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Hemilabile Bridging Thiolates as Proton Shuttles in Bioinspired H2 Production Electrocatalysts

(2016) Shengda Ding et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nickel-centred proton reduction catalysis in a model of [NiFe] hydrogenase

(2016) Deborah Brazzolotto et al.   Nature Chemistry

Photoactivation of the Ni-SIr state to the Ni-SIa state in [NiFe] hydrogenase: FT-IR study on the light reactivity of the ready Ni-SIr state and as-isolated enzyme revisited

(2016) Hulin Tai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Improved purification, crystallization and crystallographic study of Hyd-2-type [NiFe]-hydrogenase fromCitrobactersp. S-77

(2016) Noor Dina Muhd Noor et al.   Acta Crystallographica Section F-Structural Biology Communications

Infrared Spectroscopy During Electrocatalytic Turnover Reveals the Ni-L Active Site State During H2Oxidation by a NiFe Hydrogenase

(2015) Ricardo Hidalgo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Models of the Ni-L and Ni-SIa States of the [NiFe]-Hydrogenase Active Site

(2015) Geoffrey M. Chambers et al.   INORGANIC CHEMISTRY

FT-IR Characterization of the Light-Induced Ni-L2 and Ni-L3 States of [NiFe] Hydrogenase from Desulfovibrio vulgaris Miyazaki F

(2015) Hulin Tai et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Reversible Active Site Sulfoxygenation Can Explain the Oxygen Tolerance of a NAD+-Reducing [NiFe] Hydrogenase and Its Unusual Infrared Spectroscopic Properties

(2015) Marius Horch et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The [NiFe]-Hydrogenase of Pyrococcus furiosus Exhibits a New Type of Oxygen Tolerance

(2015) Patrick Kwan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Discovery of Dark pH-Dependent H+ Migration in a [NiFe]-Hydrogenase and Its Mechanistic Relevance: Mobilizing the Hydrido Ligand of the Ni-C Intermediate

(2015) Bonnie J. Murphy et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Proton-Coupled Electron Transfer Dynamics in the Catalytic Mechanism of a [NiFe]-Hydrogenase

(2015) Brandon L. Greene et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

[NiFe]-hydrogenases revisited: nickel–carboxamido bond formation in a variant with accrued O2-tolerance and a tentative re-interpretation of Ni-SI states

(2015) Anne Volbeda et al.   Metallomics

Hydrogens detected by subatomic resolution protein crystallography in a [NiFe] hydrogenase

(2015) Hideaki Ogata et al.   NATURE

Mechanism of hydrogen activation by [NiFe] hydrogenases

(2015) Rhiannon M Evans et al.   Nature Chemical Biology

Structural differences between the active sites of the Ni-A and Ni-B states of the [NiFe] hydrogenase: an approach by quantum chemistry and single crystal ENDOR spectroscopy

(2015) Jessica L. Barilone et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Arginine: Its pKavalue revisited

(2015) Carolyn A. Fitch et al.   PROTEIN SCIENCE

Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

(2015) Hideaki Ogata et al.   Nature Communications

A strenuous experimental journey searching for spectroscopic evidence of a bridging nickel–iron–hydride in [NiFe] hydrogenase

(2015) Hongxin Wang et al.   JOURNAL OF SYNCHROTRON RADIATION

Control of the Transition between Ni-C and Ni-SIaStates by the Redox State of the Proximal FeS Cluster in the Catalytic Cycle of [NiFe] Hydrogenase

(2014) Hulin Tai et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

[NiFe]Hydrogenase fromCitrobactersp. S-77 Surpasses Platinum as an Electrode for H2Oxidation Reaction

(2014) Takahiro Matsumoto et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

H2and O2Activation-A Remarkable Insight into Hydrogenase

(2014) Seiji Ogo   CHEMICAL RECORD

Hydrogenases

(2014) Wolfgang Lubitz et al.   CHEMICAL REVIEWS

Mimicking hydrogenases: From biomimetics to artificial enzymes

(2014) Trevor R. Simmons et al.   COORDINATION CHEMISTRY REVIEWS

[NiFe] hydrogenases: how close do structural and functional mimics approach the active site?

(2014) Sandeep Kaur-Ghumaan et al.   DALTON TRANSACTIONS

Crystallographic studies of [NiFe]-hydrogenase mutants: towards consensus structures for the elusive unready oxidized states

(2014) Anne Volbeda et al.   JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY

Molybdenum-containing membrane-bound formate dehydrogenase isolated from Citrobacter sp. S-77 having high stability against oxygen, pH, and temperature

(2014) Nga T. Nguyen et al.   JOURNAL OF BIOSCIENCE AND BIOENGINEERING

Multiscale Simulations Give Insight into the Hydrogen In and Out Pathways of [NiFe]-Hydrogenases from Aquifex aeolicus and Desulfovibrio fructosovorans

(2014) Francesco Oteri et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Proton Transport in Clostridium pasteurianum [FeFe] Hydrogenase I: A Computational Study

(2014) Hai Long et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Resonance Raman Spectroscopy on [NiFe] Hydrogenase Provides Structural Insights into Catalytic Intermediates and Reactions

(2014) Marius Horch et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Disclosure of Key Stereoelectronic Factors for Efficient H2 Binding and Cleavage in the Active Site of [NiFe]-Hydrogenases

(2014) Maurizio Bruschi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Reversible [4Fe-3S] cluster morphing in an O2-tolerant [NiFe] hydrogenase

(2014) Stefan Frielingsdorf et al.   Nature Chemical Biology

How oxygen reacts with oxygen-tolerant respiratory [NiFe]-hydrogenases

(2014) P. Wulff et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Resonance Raman Spectroscopy as a Tool to Monitor the Active Site of Hydrogenases

(2013) Elisabeth Siebert et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

[NiFe] hydrogenases: A common active site for hydrogen metabolism under diverse conditions

(2013) Hannah S. Shafaat et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

Theoretical Spectroscopy of the NiIIIntermediate States in the Catalytic Cycle and the Activation of [NiFe] Hydrogenases

(2013) Tobias Krämer et al.   CHEMBIOCHEM

Principles of Sustained Enzymatic Hydrogen Oxidation in the Presence of Oxygen – The Crucial Influence of High Potential Fe–S Clusters in the Electron Relay of [NiFe]-Hydrogenases

(2013) Rhiannon M. Evans et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Metal–Metal Bond in the Light-Induced State of [NiFe] Hydrogenases with Relevance to Hydrogen Evolution

(2013) Mario Kampa et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Catalytic Production of Hydrogen Peroxide and Water by Oxygen-Tolerant [NiFe]-Hydrogenase during H2 Cycling in the Presence of O2

(2013) Lars Lauterbach et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Hydrogen Activation by Biomimetic [NiFe]-Hydrogenase Model Containing Protected Cyanide Cofactors

(2013) Brian C. Manor et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Crystal structure of the entire respiratory complex I

(2013) Rozbeh Baradaran et al.   NATURE

Biomimetic assembly and activation of [FeFe]-hydrogenases

(2013) G. Berggren et al.   NATURE

Studies on hydrogenase

(2013) Tatsuhiko YAGI et al.   PROCEEDINGS OF THE JAPAN ACADEMY SERIES B-PHYSICAL AND BIOLOGICAL SCIENCES

Copying Biology's Ways with Hydrogen

(2013) F. A. Armstrong   SCIENCE

A Functional [NiFe]Hydrogenase Mimic That Catalyzes Electron and Hydride Transfer from H2

(2013) S. Ogo et al.   SCIENCE

O2-stable membrane-bound [NiFe]hydrogenase from a newly isolated Citrobacter sp. S-77

(2012) Shigenobu Eguchi et al.   JOURNAL OF BIOSCIENCE AND BIOENGINEERING

EPR Spectroscopic Studies of the Fe–S Clusters in the O2-Tolerant [NiFe]-Hydrogenase Hyd-1 from Escherichia coli and Characterization of the Unique [4Fe–3S] Cluster by HYSCORE

(2012) Maxie M. Roessler et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Functional [NiFe]-Hydrogenase Model Compound That Undergoes Biologically Relevant Reversible Thiolate Protonation

(2012) Katharina Weber et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

X-ray crystallographic and computational studies of the O2-tolerant [NiFe]-hydrogenase 1 from Escherichia coli

(2012) A. Volbeda et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Relation between anaerobic inactivation and oxygen tolerance in a large series of NiFe hydrogenase mutants

(2012) A. Abou Hamdan et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Electronic structure of the unique [4Fe-3S] cluster in O2-tolerant hydrogenases characterized by 57Fe Mossbauer and EPR spectroscopy

(2012) M.-E. Pandelia et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Crystal Structure of the O 2 -Tolerant Membrane-Bound Hydrogenase 1 from Escherichia coli in Complex with Its Cognate Cytochrome b

(2012) Anne Volbeda et al.   STRUCTURE

Spectroscopic characterization of the key catalytic intermediate Ni–C in the O2-tolerant [NiFe] hydrogenase I from Aquifex aeolicus: evidence of a weakly bound hydride

(2011) Maria-Eirini Pandelia et al.   CHEMICAL COMMUNICATIONS

Sulfoxygenation of Active Site Models of [NiFe] and [FeFe] Hydrogenases - A Commentary on Possible Chemical Models of Hydrogenase Enzyme Oxygen Sensitivity

(2011) Marcetta Y. Darensbourg et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

NAD(H)-coupled hydrogen cycling - structure-function relationships of bidirectional [NiFe] hydrogenases

(2011) M. Horch et al.   FEBS LETTERS

Metal–metal bonds in biology

(2011) Paul A. Lindahl   JOURNAL OF INORGANIC BIOCHEMISTRY

The crystal structure of an oxygen-tolerant hydrogenase uncovers a novel iron-sulphur centre

(2011) Johannes Fritsch et al.   NATURE

Structural basis for a [4Fe-3S] cluster in the oxygen-tolerant membrane-bound [NiFe]-hydrogenase

(2011) Yasuhito Shomura et al.   NATURE

A unique iron-sulfur cluster is crucial for oxygen tolerance of a [NiFe]-hydrogenase

(2011) Tobias Goris et al.   Nature Chemical Biology

Probing the Active Site of an O2-Tolerant NAD+-Reducing [NiFe]-Hydrogenase from Ralstonia eutropha H16 by In Situ EPR and FTIR Spectroscopy

(2010) Marius Horch et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Hydrogenases from Methanogenic Archaea, Nickel, a Novel Cofactor, and H2Storage

(2010) Rudolf K. Thauer et al.   Annual Review of Biochemistry

Thiolate-Bridged Iron-Nickel Models for the Active Site of [NiFe] Hydrogenase

(2010) Yasuhiro Ohki et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

The Crystal Structure of the [NiFe] Hydrogenase from the Photosynthetic Bacterium Allochromatium vinosum: Characterization of the Oxidized Enzyme (Ni-A State)

(2010) Hideaki Ogata et al.   JOURNAL OF MOLECULAR BIOLOGY

Hydride-Containing Models for the Active Site of the Nickel−Iron Hydrogenases

(2010) Bryan E. Barton et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Membrane-Bound Hydrogenase I from the Hyperthermophilic BacteriumAquifex aeolicus: Enzyme Activation, Redox Intermediates and Oxygen Tolerance

(2010) Maria-Eirini Pandelia et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Inhibition of the [NiFe] hydrogenase from Desulfovibrio vulgaris Miyazaki F by carbon monoxide: An FTIR and EPR spectroscopic study

(2009) Maria-Eirini Pandelia et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

Structural and Functional Analogues of the Active Sites of the [Fe]-, [NiFe]-, and [FeFe]-Hydrogenases†

(2009) Cédric Tard et al.   CHEMICAL REVIEWS

[NiFe] hydrogenases: structural and spectroscopic studies of the reaction mechanism

(2009) Hideaki Ogata et al.   DALTON TRANSACTIONS

Spectroscopic Insights into the Oxygen-tolerant Membrane-associated [NiFe] Hydrogenase ofRalstonia eutrophaH16

(2009) Miguel Saggu et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Probing intermediates in the activation cycle of [NiFe] hydrogenase by infrared spectroscopy: the Ni-SIr state and its light sensitivity

(2009) Maria-Eirini Pandelia et al.   JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY

Spectroelectrochemical Study of the [NiFe] Hydrogenase from Desulfovibrio vulgaris Miyazaki F in Solution and Immobilized on Biocompatible Gold Surfaces

(2009) Diego Millo et al.   JOURNAL OF PHYSICAL CHEMISTRY B

FTIR study on the light sensitivity of the [NiFe] hydrogenase from Desulfovibrio vulgaris Miyazaki F: Ni–C to Ni–L photoconversion, kinetics of proton rebinding and H/D isotope effect

(2009) Petra Kellers et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Enzymes as Working or Inspirational Electrocatalysts for Fuel Cells and Electrolysis

(2008) James A. Cracknell et al.   CHEMICAL REVIEWS

Dynamic electrochemical investigations of hydrogen oxidation and production by enzymes and implications for future technology

(2008) Fraser A. Armstrong et al.   CHEMICAL SOCIETY REVIEWS

A QM/MM study of proton transport pathways in a [NiFe] hydrogenase

(2008) Ignacio Fdez. Galván et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

The Crystal Structure of [Fe]-Hydrogenase Reveals the Geometry of the Active Site

(2008) S. Shima et al.   SCIENCE