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

Spin, Valence, and Structural Isomerism in the S3 State of the Oxygen-Evolving Complex of Photosystem II as a Manifestation of Multimetallic Cooperativity

(2019) Hiroshi Isobe et al.   Journal of Chemical Theory and Computation

Fourier Transform Infrared Analysis of the S-State Cycle of Water Oxidation in the Microcrystals of Photosystem II

(2018) Yuki Kato et al.   Journal of Physical Chemistry Letters

O2 evolution and recovery of the water-oxidizing enzyme

(2018) Keisuke Kawashima et al.   Nature Communications

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

(2018) Jan Kern et al.   NATURE

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

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

(2017) Michihiro Suga et al.   NATURE

Crystallographic Data Support the Carousel Mechanism of Water Supply to the Oxygen-Evolving Complex of Photosystem II

(2017) Jimin Wang et al.   ACS Energy Letters

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

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

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

Theoretical studies of the damage-free S1 structure of the CaMn4O5 cluster in oxygen-evolving complex of photosystem II

(2015) Mitsuo Shoji et al.   CHEMICAL PHYSICS LETTERS

Chemical Equilibrium Models for the S3 State of the Oxygen-Evolving Complex of Photosystem II

(2015) Hiroshi Isobe et al.   INORGANIC CHEMISTRY

Alternative mechanisms for O2 release and O–O bond formation in the oxygen evolving complex of photosystem II

(2015) Xichen Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

(2015) Keisuke Saito et al.   Nature Communications

Evidence from FTIR Difference Spectroscopy That D1-Asp61 Influences the Water Reactions of the Oxygen-Evolving Mn4CaO5 Cluster of Photosystem II

(2014) Richard J. Debus   BIOCHEMISTRY

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

(2014) Michihiro Suga et al.   NATURE

Determination of damage-free crystal structure of an X-ray–sensitive protein using an XFEL

(2014) Kunio Hirata et al.   NATURE METHODS

Processing of X-ray snapshots from crystals in random orientations

(2014) Wolfgang Kabsch   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Cheetah: software for high-throughput reduction and analysis of serial femtosecond X-ray diffraction data

(2014) Anton Barty et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Biological Water Oxidation

(2013) Nicholas Cox et al.   ACCOUNTS OF CHEMICAL RESEARCH

Structural Changes of the Oxygen-evolving Complex in Photosystem II during the Catalytic Cycle

(2013) Carina Glöckner et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Detection of an intermediary, protonated water cluster in photosynthetic oxygen evolution

(2013) B. C. Polander et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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

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

CrystFEL: a software suite for snapshot serial crystallography

(2012) Thomas A. White et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Linking Crystallographic Model and Data Quality

(2012) P. A. Karplus et al.   SCIENCE

Possible mechanisms for the O–O bond formation in oxygen evolution reaction at the CaMn4O5(H2O)4 cluster of PSII refined to 1.9Å X-ray resolution

(2011) S. Yamanaka et al.   CHEMICAL PHYSICS LETTERS

Electronic Structure of a Weakly Antiferromagnetically Coupled MnIIMnIIIModel Relevant to Manganese Proteins: A Combined EPR,55Mn-ENDOR, and DFT Study

(2011) Nicholas Cox et al.   INORGANIC CHEMISTRY

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

(2011) Yasufumi Umena et al.   NATURE

PHENIX: a comprehensive Python-based system for macromolecular structure solution

(2010) Paul D. Adams et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Metals in proteins: correlation between the metal-ion type, coordination number and the amino-acid residues involved in the coordination

(2008) Ivan Dokmanić et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

A Structure-Consistent Mechanism for Dioxygen Formation in Photosystem II

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

Quantum Mechanics/Molecular Mechanics Study of the Catalytic Cycle of Water Splitting in Photosystem II

(2008) Eduardo M. Sproviero et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The manganese complex of photosystem II in its reaction cycle—Basic framework and possible realization at the atomic level

(2007) H DAU et al.   COORDINATION CHEMISTRY REVIEWS