Orientational Jahn–Teller Isomerism in the Dark‐Stable State of Nature's Water Oxidase

Current Understanding of the Mechanism of Water Oxidation in Photosystem II and Its Relation to XFEL Data

(2020) Nicholas Cox et al.   Annual Review of Biochemistry

Arrested substrate binding resolves catalytic intermediates in higher‐plant water oxidation

(2020) Georgia Zahariou et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Pulse EPR Spectroscopic Characterization of the S3 State of the Oxygen-Evolving Complex of Photosystem II Isolated from Synechocystis

(2020) David A. Marchiori et al.   BIOCHEMISTRY

Orientation of Ligand Field for Dangling Manganese in Photosynthetic Oxygen-Evolving Complex of Photosystem II

(2019) Hiroyuki Mino et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Missing Pieces in the Puzzle of Biological Water Oxidation

(2018) Dimitrios A. Pantazis   ACS Catalysis

What Can We Learn from a Biomimetic Model of Nature’s Oxygen-Evolving Complex?

(2017) Satadal Paul et al.   INORGANIC CHEMISTRY

DFT Analysis of Spin Crossover in Mn(III) Complexes: Is a Two-Electron S = 2 to S = 0 Spin Transition Feasible?

(2017) Silvia Amabilino et al.   INORGANIC CHEMISTRY

Energetics of the S2 State Spin Isomers of the Oxygen-Evolving Complex of Photosystem II

(2017) David J. Vinyard et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Two Different Structures of the Oxygen-Evolving Complex in the Same Polypeptide Frameworks of Photosystem II

(2017) Ayako Tanaka et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The First State in the Catalytic Cycle of the Water-Oxidizing Enzyme: Identification of a Water-Derived μ-Hydroxo Bridge

(2017) Thomas Lohmiller et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Merging Structural Information from X-ray Crystallography, Quantum Chemistry, and EXAFS Spectra: The Oxygen-Evolving Complex in PSII

(2016) Petko Chernev et al.   JOURNAL OF PHYSICAL CHEMISTRY B

‘Photosysten II: the water slitting enzyme of photosynthesis and the origin of oxygen in our atmosphere’

(2016) James Barber   QUARTERLY REVIEWS OF BIOPHYSICS

A five-coordinate Mn(iv) intermediate in biological water oxidation: spectroscopic signature and a pivot mechanism for water binding

(2016) Marius Retegan et al.   Chemical Science

The Structure of Photosystem II and the Mechanism of Water Oxidation in Photosynthesis

(2015) Jian-Ren Shen   Annual Review of Plant Biology

Analysis of the Radiation-Damage-Free X-ray Structure of Photosystem II in Light of EXAFS and QM/MM Data

(2015) Mikhail Askerka et al.   BIOCHEMISTRY

Electron transfer pathways from the S 2 -states to the S 3 -states either after a Ca 2+ /Sr 2+ or a Cl − /I − exchange in Photosystem II from Thermosynechococcus elongatus

(2015) Alain Boussac et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

On the guiding principles for lucid understanding of the damage-free S1 structure of the CaMn4O5 cluster in the oxygen evolving complex of photosystem II

(2015) Mitsuo Shoji et al.   CHEMICAL PHYSICS LETTERS

A synthetic Mn4Ca-cluster mimicking the oxygen-evolving center of photosynthesis

(2015) C. Zhang et al.   SCIENCE

Metal oxidation states in biological water splitting

(2015) Vera Krewald et al.   Chemical Science

Mn4Ca Cluster in Photosynthesis: Where and How Water is Oxidized to Dioxygen

(2014) Junko Yano et al.   CHEMICAL REVIEWS

A First-Principles Approach to the Calculation of the on-Site Zero-Field Splitting in Polynuclear Transition Metal Complexes

(2014) Marius Retegan et al.   INORGANIC CHEMISTRY

Electronic Structural Flexibility of Heterobimetallic Mn/Fe Cofactors: R2lox and R2c Proteins

(2014) Hannah S. Shafaat et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Native structure of photosystem II at 1.95 Å resolution viewed by femtosecond X-ray pulses

(2014) Michihiro Suga et al.   NATURE

Pathway for Mn-cluster oxidation by tyrosine-Z in the S2 state of photosystem II

(2014) D. Narzi et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Electronic structure of the oxygen-evolving complex in photosystem II prior to O-O bond formation

(2014) N. Cox et al.   SCIENCE

The S2State of the Oxygen-Evolving Complex of Photosystem II Explored by QM/MM Dynamics: Spin Surfaces and Metastable States Suggest a Reaction Path Towards the S3State

(2013) Daniele Bovi et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

S0-State Model of the Oxygen-Evolving Complex of Photosystem II

(2013) Rhitankar Pal et al.   BIOCHEMISTRY

Reflections on substrate water and dioxygen formation

(2013) Nicholas Cox et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

Convergence of QM/MM and Cluster Models for the Spectroscopic Properties of the Oxygen-Evolving Complex in Photosystem II

(2013) Marius Retegan et al.   Journal of Chemical Theory and Computation

On the Magnetic and Spectroscopic Properties of High-Valent Mn3CaO4 Cubanes as Structural Units of Natural and Artificial Water-Oxidizing Catalysts

(2013) Vera Krewald et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ammonia binding to the oxygen-evolving complex of photosystem II identifies the solvent-exchangeable oxygen bridge ( -oxo) of the manganese tetramer

(2013) M. Perez Navarro et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Theoretical insight in to hydrogen-bonding networks and proton wire for the CaMn4O5 cluster of photosystem II. Elongation of Mn–Mn distances with hydrogen bonds

(2013) M. Shoji et al.   Catalysis Science & Technology

Two Interconvertible Structures that Explain the Spectroscopic Properties of the Oxygen-Evolving Complex of Photosystem II in the S2State

(2012) Dimitrios A. Pantazis et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Rationalizing the 1.9 Å Crystal Structure of Photosystem II-A Remarkable Jahn-Teller Balancing Act Induced by a Single Proton Transfer

(2012) Phillip Gatt et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Water oxidation mechanism in photosystem II, including oxidations, proton release pathways, O―O bond formation and O2 release

(2012) Per E.M. Siegbahn   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

Theoretical illumination of water-inserted structures of the CaMn4O5 cluster in the S2 and S3 states of oxygen-evolving complex of photosystem II: full geometry optimizations by B3LYP hybrid density functional

(2012) H. Isobe et al.   DALTON TRANSACTIONS

The nature of chemical bonds of the CaMn4O5cluster in oxygen evolving complex of photosystem II: Jahn-Teller distortion and its suppression by Ca doping in cubane structures

(2012) K. Yamaguchi et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Structural models of the manganese complex of photosystem II and mechanistic implications

(2011) Alexander Grundmeier et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

S1-state Mn4Ca complex of Photosystem II exists in equilibrium between the two most-stable isomeric substates: XRD and EXAFS evidence

(2011) Masami Kusunoki   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY B-BIOLOGY

Theoretical Evaluation of Structural Models of the S2State in the Oxygen Evolving Complex of Photosystem II: Protonation States and Magnetic Interactions

(2011) William Ames et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Crystal structure of oxygen-evolving photosystem II at a resolution of 1.9 Å

(2011) Yasufumi Umena et al.   NATURE

Magnetic and Spectroscopic Properties of Mixed Valence Manganese(III,IV) Dimers: A Systematic Study Using Broken Symmetry Density Functional Theory

(2009) Maylis Orio et al.   INORGANIC CHEMISTRY

Complete EPR Spectrum of the S3-State of the Oxygen-Evolving Photosystem II

(2009) Alain Boussac et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Structure-Consistent Mechanism for Dioxygen Formation in Photosystem II

(2008) Per E. M. Siegbahn   CHEMISTRY-A EUROPEAN JOURNAL