Untangling the sequence of events during the S2 → S3 transition in photosystem II and implications for the water oxidation mechanism

The Macromolecular Femtosecond Crystallography Instrument at the Linac Coherent Light Source

(2019) Raymond G. Sierra et al.   JOURNAL OF SYNCHROTRON RADIATION

Theoretical and computational investigations of geometrical, electronic and spin structures of the CaMn4 OX (X=5, 6) cluster in the Kok cycle Si (i=0-3) of oxygen evolving complex of photosystem II

(2019) Kizashi Yamaguchi et al.   PHYSIOLOGIA PLANTARUM

One of the Substrate Waters for O2 Formation in Photosystem II Is Provided by the Water-Splitting Mn4CaO5 Cluster’s Ca2+ Ion

(2019) Christopher J. Kim et al.   BIOCHEMISTRY

Proton Isomers Rationalize the High- and Low-Spin Forms of the S2 State Intermediate in the Water-Oxidizing Reaction of Photosystem II

(2019) Thomas A. Corry et al.   Journal of Physical Chemistry Letters

Five-coordinate MnIV intermediate in the activation of nature’s water splitting cofactor

(2019) Maria Chrysina et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix

(2019) Dorothee Liebschner et al.   Acta Crystallographica Section D-Structural Biology

An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser

(2019) Michihiro Suga et al.   SCIENCE

X-ray Emission Spectroscopy as an in Situ Diagnostic Tool for X-ray Crystallography of Metalloproteins Using an X-ray Free-Electron Laser

(2018) Thomas Fransson et al.   BIOCHEMISTRY

Impact of D1-V185 on the Water Molecules That Facilitate O2 Formation by the Catalytic Mn4CaO5 Cluster in Photosystem II

(2018) Christopher J. Kim et al.   BIOCHEMISTRY

The S2 to S3 transition for water oxidation in PSII (photosystem II), revisited

(2018) Per E. M. Siegbahn   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Improving signal strength in serial crystallography with DIALS geometry refinement

(2018) Aaron S. Brewster et al.   Acta Crystallographica Section D-Structural Biology

Structures of the intermediates of Kok’s photosynthetic water oxidation clock

(2018) Jan Kern et al.   NATURE

D1-Asn-298 in photosystem II is involved in a hydrogen-bond network near the redox-active tyrosine YZfor proton exit during water oxidation

(2017) Ryo Nagao et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Monitoring the Reaction Process During the S2 → S3 Transition in Photosynthetic Water Oxidation Using Time-Resolved Infrared Spectroscopy

(2017) Hiroki Sakamoto et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL

(2017) Michihiro Suga et al.   NATURE

Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers

(2017) Franklin D Fuller et al.   NATURE METHODS

The O2-Evolving Complex of Photosystem II: Recent Insights from Quantum Mechanics/Molecular Mechanics (QM/MM), Extended X-ray Absorption Fine Structure (EXAFS), and Femtosecond X-ray Crystallography Data

(2016) Mikhail Askerka et al.   ACCOUNTS OF CHEMICAL RESEARCH

S3 State of the O2-Evolving Complex of Photosystem II: Insights from QM/MM, EXAFS, and Femtosecond X-ray Diffraction

(2016) Mikhail Askerka et al.   BIOCHEMISTRY

Room-Temperature Energy-Sampling Kβ X-ray Emission Spectroscopy of the Mn4Ca Complex of Photosynthesis Reveals Three Manganese-Centered Oxidation Steps and Suggests a Coordination Change Prior to O2 Formation

(2016) Ivelina Zaharieva et al.   BIOCHEMISTRY

Sequential and Coupled Proton and Electron Transfer Events in the S2 → S3 Transition of Photosynthetic Water Oxidation Revealed by Time-Resolved X-ray Absorption Spectroscopy

(2016) Ivelina Zaharieva et al.   BIOCHEMISTRY

Redox-coupled substrate water reorganization in the active site of Photosystem II—The role of calcium in substrate water delivery

(2016) Ilke Ugur et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

Mechanism of Water Delivery to the Active Site of Photosystem II along the S2 to S3 Transition

(2016) Matteo Capone et al.   Journal of Physical Chemistry Letters

Structure of photosystem II and substrate binding at room temperature

(2016) Iris D. Young et al.   NATURE

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

NH3 Binding to the S2 State of the O2-Evolving Complex of Photosystem II: Analogue to H2O Binding during the S2 → S3 Transition

(2015) Mikhail Askerka et al.   BIOCHEMISTRY

Reorganization of Substrate Waters between the Closed and Open Cubane Conformers during the S2 to S3 Transition in the Oxygen Evolving Complex

(2015) Matteo Capone et al.   BIOCHEMISTRY

QM/MM study of the S2 to S3 transition reaction in the oxygen-evolving complex of photosystem II

(2015) Mitsuo Shoji et al.   CHEMICAL PHYSICS LETTERS

Energetics of proton release on the first oxidation step in the water-oxidizing enzyme

(2015) Keisuke Saito et al.   Nature Communications

XFEL diffraction: developing processing methods to optimize data quality

(2015) Nicholas K. Sauter   JOURNAL OF SYNCHROTRON RADIATION

Seven Steps of Alternating Electron and Proton Transfer in Photosystem II Water Oxidation Traced by Time-Resolved Photothermal Beam Deflection at Improved Sensitivity

(2014) André Klauss et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser

(2014) Christopher Kupitz et al.   NATURE

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

(2014) N. Cox et al.   SCIENCE

Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy

(2014) Jan Kern et al.   Nature Communications

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

Beamline, experimental stations and photon beam diagnostics for the hard x-ray free electron laser of SACLA

(2013) K Tono et al.   NEW JOURNAL OF PHYSICS

Protein structural ensembles are revealed by redefining X-ray electron density noise

(2013) P. T. Lang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Simultaneous Femtosecond X-ray Spectroscopy and Diffraction of Photosystem II at Room Temperature

(2013) J. Kern et al.   SCIENCE

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

Time-Resolved Infrared Detection of the Proton and Protein Dynamics during Photosynthetic Oxygen Evolution

(2012) Takumi Noguchi et al.   BIOCHEMISTRY

Exploring the energetics of water permeation in photosystem II by multiple steered molecular dynamics simulations

(2012) Sergey Vassiliev et al.   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

A compact X-ray free-electron laser emitting in the sub-ångström region

(2012) Tetsuya Ishikawa et al.   Nature Photonics

Molecular interactions of the quinone electron acceptors QA, QB, and QC in photosystem II as studied by the fragment molecular orbital method

(2012) Koji Hasegawa et al.   PHOTOSYNTHESIS RESEARCH

Alternating electron and proton transfer steps in photosynthetic water oxidation

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

Light-induced quinone reduction in photosystem II

(2011) Frank Müh et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

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

Features and development ofCoot

(2010) P. Emsley et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

First lasing and operation of an ångstrom-wavelength free-electron laser

(2010) P. Emma et al.   Nature Photonics

Structures and Energetics for O2Formation in Photosystem II

(2009) Per E. M. Siegbahn   ACCOUNTS OF CHEMICAL RESEARCH

Probing the Accessibility of the Mn4Ca Cluster in Photosystem II: Channels Calculation, Noble Gas Derivatization, and Cocrystallization with DMSO

(2009) Azat Gabdulkhakov et al.   STRUCTURE

Monitoring Water Reactions during the S-State Cycle of the Photosynthetic Water-Oxidizing Center: Detection of the DOD Bending Vibrations by Means of Fourier Transform Infrared Spectroscopy†

(2008) Hiroyuki Suzuki et al.   BIOCHEMISTRY

Uncovering channels in photosystem II by computer modelling: current progress, future prospects, and lessons from analogous systems

(2008) Felix M. Ho   PHOTOSYNTHESIS RESEARCH

Protein ligation of the photosynthetic oxygen-evolving center

(2007) R DEBUS   COORDINATION CHEMISTRY REVIEWS

Primary photochemistry and energetics leading to the oxidation of the (Mn)4Ca cluster and to the evolution of molecular oxygen in Photosystem II

(2007) F RAPPAPORT et al.   COORDINATION CHEMISTRY REVIEWS

FTIR detection of water reactions in the oxygen-evolving centre of photosystem II

(2007) T. Noguchi   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES