2024
Occupancy Analysis of Water Molecules inside Channels within 25 Å Radius of the Oxygen-Evolving Center of Photosystem II in Molecular Dynamics Simulations
Kaur D, Reiss K, Wang J, Batista V, Brudvig G, Gunner M. Occupancy Analysis of Water Molecules inside Channels within 25 Å Radius of the Oxygen-Evolving Center of Photosystem II in Molecular Dynamics Simulations. The Journal Of Physical Chemistry B 2024, 128: 2236-2248. PMID: 38377592, DOI: 10.1021/acs.jpcb.3c05367.Peer-Reviewed Original ResearchOxygen-evolving centerWater moleculesPhotosystem IIPositions of water moleculesAnalysis of water moleculesCatalyze water oxidationHydrogen bond networkOccupancy of water moleculesMolecular dynamics simulationsD1-D61Electron density mapsMolecular dynamics analysisProton transferWater oxidationCrystallographic dataIce latticeMD simulationsMolecular dynamicsStructural transitionDynamics simulationsSubstrate waterOxygen-evolvingRoom temperatureProtein residuesMolecules
1995
High-valent oxomanganese clusters: structural and mechanistic work relevant to the oxygen-evolving center in photosystem II
Manchanda R, Brudvig G, Crabtree R. High-valent oxomanganese clusters: structural and mechanistic work relevant to the oxygen-evolving center in photosystem II. Coordination Chemistry Reviews 1995, 144: 1-38. DOI: 10.1016/0010-8545(95)01147-h.Peer-Reviewed Original ResearchO2-evolving centerActive siteOxygen-evolving centerPhotosystem IIOxomanganese clusterBioinorganic chemistryInorganic chemistsWater oxidationComplex chemistryMechanistic aspectsBiophysical studiesChemistryMagnetic propertiesNative enzymeMechanistic workPS IINuclearityChemistsMetalloproteinsSuch clustersConsiderable interestOxidationRecent effortsChemicalsTetramer
1988
Modeling the oxygen-evolving center of photosystem II: synthesis and characterization of a tetranuclear manganese carboxylate complex
Kulawiec R, Crabtree R, Brudvig G, Schulte G. Modeling the oxygen-evolving center of photosystem II: synthesis and characterization of a tetranuclear manganese carboxylate complex. Inorganic Chemistry 1988, 27: 1309-1311. DOI: 10.1021/ic00281a001.Peer-Reviewed Original ResearchElectron Donation in Photosystem II
Thompson L, Miller A, De Paula J, Brudvig G. Electron Donation in Photosystem II. Israel Journal Of Chemistry 1988, 28: 121-128. DOI: 10.1002/ijch.198800021.Peer-Reviewed Original ResearchElectron transfer pathwayElectron paramagnetic resonanceElectron donationTransfer pathwayElectron donorOxygen-evolving centerPS IIOptical spectroscopyPhotosystem IITime-resolved optical spectroscopyPrimary electron donorAlternate electron donorsParamagnetic resonanceEPR resultsCytochrome b 559EPR studiesCyclic electron transfer pathwaysMn sitesSpectroscopyPhotooxidationKinetic componentsPhotooxidation of chlorophyllDonorsKinetics