Systems-Based Design of Bi-Ligand Inhibitors of Oxidoreductases: Filling the Chemical Proteomic Toolbox [PDF]
, 2004 Genomics-driven growth in the number of enzymes of unknown function has created a need for better strategies to characterize them. Since enzyme inhibitors have traditionally served this purpose, we present here an efficient systems-based inhibitor design
Baker, Brian +18 more
core +2 more sources
The Geometry of the Catalytic Active Site in [FeFe]-hydrogenases is Determined by Hydrogen Bonding and Proton Transfer [PDF]
, 2019 [FeFe]-hydrogenases are efficient metalloenzymes that catalyze the oxidation and evolution of molecular hydrogen, H2. They serve as a blueprint for the design of synthetic H2-forming catalysts.
Apfel, Ulf-Peter +11 more
core +2 more sources
One diagonal texture or cofactor zero of the neutrino mass matrix [PDF]
Phys.Rev.D88:033011,2013, 2013 In view of the recent measurement of nonzero $\theta_{13}$, we carry out a systematic study of a simple class of neutrino models that has one diagonal texture or cofactor zero in the mass matrix. There are seven free parameters in the model and five of them are already measured by neutrino oscillation experiments; some cases for the normal or inverted ...
arxiv +1 more source
Driven cofactor systems and Hamilton-Jacobi separability [PDF]
, 2011 This is a continuation of the work initiated in a previous paper on so-called driven cofactor systems, which are partially decoupling second-order differential equations of a special kind.
Benenti S +7 more
core +1 more source
NMR analysis of the dynamic exchange of the NS2B cofactor between open and closed conformations of the West Nile Virus NS2B-NS3 protease [PDF]
, 2015 BACKGROUND The two-component NS2B-NS3 proteases of West Nile and dengue viruses are essential for viral replication and established targets for drug development.
Lim, Siew P. +5 more
core +1 more source
Expressibility of comb tensor network states (CTNS) for the P-cluster and the FeMo-cofactor of nitrogenase [PDF]
Electron. Struct. 3, 014001 (2021), 2020 Polynuclear transition metal complexes such as the P-cluster and the FeMo-cofactor of nitrogenase with eight transition metal centers represent a great challenge for current electronic structure methods. In this work, we initiated the use of comb tensor network states (CTNS), whose underlying topology has a one-dimensional backbone and several one ...
arxiv +1 more source
Nutrient cross-feeding in the microbial world. [PDF]
, 2014 The stability and function of a microbial community depends on nutritional interactions among community members such as the cross-feeding of essential small molecules synthesized by a subset of the population.
Seth, Erica C, Taga, Michiko E
core +2 more sources
On the cofactor conditions and further conditions of supercompatibility between phases [PDF]
Journal of the Mechanics and Physics of Solids, 122, 27 - 53, 2019, 2018 In this paper we improve the understanding of the cofactor conditions, which are particular conditions of geometric compatibility between austenite and martensite, that are believed to influence reversibility of martensitic transformations. We also introduce a physically motivated metric to measure how closely a material satisfies the cofactor ...
arxiv +1 more source
Molecular architecture of human polycomb repressive complex 2. [PDF]
, 2012 Polycomb Repressive Complex 2 (PRC2) is essential for gene silencing, establishing transcriptional repression of specific genes by tri-methylating Lysine 27 of histone H3, a process mediated by cofactors such as AEBP2.
Aebersold, Ruedi +5 more
core +1 more source
Identity and function of an essential nitrogen ligand of the nitrogenase cofactor biosynthesis protein NifB. [PDF]
, 2020 NifB is a radical S-adenosyl-L-methionine (SAM) enzyme that is essential for nitrogenase cofactor assembly. Previously, a nitrogen ligand was shown to be involved in coupling a pair of [Fe4S4] clusters (designated K1 and K2) concomitant with carbide ...
Britt, R David +7 more
core +1 more source