2024
Occupancy Analysis of Water Molecules inside Channels within 25 Ã… 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 Ã… 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