QM/MM calculations reveal a bridging hydroxo group in a vanadium nitrogenase crystal structure

A bound reaction intermediate sheds light on the mechanism of nitrogenase

(2018) Daniel Sippel et al.   SCIENCE

QM/MM Study of the Nitrogenase MoFe Protein Resting State: Broken-Symmetry States, Protonation States, and QM Region Convergence in the FeMoco Active Site

(2017) Bardi Benediktsson et al.   INORGANIC CHEMISTRY

The structure of vanadium nitrogenase reveals an unusual bridging ligand

(2017) Daniel Sippel et al.   Nature Chemical Biology

The in vivo hydrocarbon formation by vanadium nitrogenase follows a secondary metabolic pathway

(2016) Johannes G. Rebelein et al.   Nature Communications

Hydrogenases

(2014) Wolfgang Lubitz et al.   CHEMICAL REVIEWS

Ligand binding to the FeMo-cofactor: Structures of CO-bound and reactivated nitrogenase

(2014) T. Spatzal et al.   SCIENCE

Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles

(2012) Robert B. Best et al.   Journal of Chemical Theory and Computation

Extending the Carbon Chain: Hydrocarbon Formation Catalyzed by Vanadium/Molybdenum Nitrogenases

(2011) Y. Hu et al.   SCIENCE

Evidence for Interstitial Carbon in Nitrogenase FeMo Cofactor

(2011) T. Spatzal et al.   SCIENCE

Vanadium Nitrogenase Reduces CO

(2010) C. C. Lee et al.   SCIENCE

Mechanism of Mo-Dependent Nitrogenase

(2009) Lance C. Seefeldt et al.   Annual Review of Biochemistry

Short strong hydrogen bonds in proteins: a case study of rhamnogalacturonan acetylesterase

(2008) Annette Langkilde et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY