A5061053575- Enzyme Structure and Function
- Metal-Catalyzed Oxygenation Mechanisms
- Microbial Metabolic Engineering and Bioproduction
- Protein Structure and Dynamics
- Tryptophan and brain disorders
- Biochemical and biochemical processes
- Gut microbiota and health
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Microbial metabolism and enzyme function
- Photosynthetic Processes and Mechanisms
- Metabolomics and Mass Spectrometry Studies
- Amino Acid Enzymes and Metabolism
- Metabolism and Genetic Disorders
- CO2 Reduction Techniques and Catalysts
- Metalloenzymes and iron-sulfur proteins
- RNA and protein synthesis mechanisms
- Heme Oxygenase-1 and Carbon Monoxide
- Computational Drug Discovery Methods
- CRISPR and Genetic Engineering
- Pharmacogenetics and Drug Metabolism
- Metal complexes synthesis and properties
- GABA and Rice Research
- Hemoglobin structure and function
- Vector-Borne Animal Diseases
University of North Carolina at Chapel Hill
2007-2025
Bayer (United States)
2021-2025
The University of Texas at San Antonio
2016-2024
United States Army Medical Research Institute of Infectious Diseases
2023-2024
Georgia State University
2013-2021
GrassRoots Biotechnology (United States)
2010-2021
Mount Desert Island Biological Laboratory
2021
Monsanto (United States)
2021
University of Atlanta
2015
Duke University Hospital
2005-2012
Macromolecular X-ray crystallography is routinely applied to understand biological processes at a molecular level. However, significant time and effort are still required solve complete many of these structures because the need for manual interpretation complex numerical data using software packages repeated use interactive three-dimensional graphics. PHENIX has been developed provide comprehensive system macromolecular crystallographic structure solution with an emphasis on automation all...
Abstract Geometrical validation around the Cα is described, with a new Cβ measure and updated Ramachandran plot. Deviation of observed atom from ideal position provides single encapsulating major structure‐validation information contained in bond angle distortions. deviation sensitive to incompatibilities between sidechain backbone caused by misfit conformations or inappropriate refinement restraints. A ϕ,ψ plot using density‐dependent smoothing for 81,234 non‐Gly, non‐Pro, non‐prePro...
MolProbity is a general-purpose web server offering quality validation for 3D structures of proteins, nucleic acids and complexes. It provides detailed all-atom contact analysis any steric problems within the molecules as well updated dihedral-angle diagnostics, it can calculate display H-bond van der Waals contacts in interfaces between components. An integral step process addition full optimization all hydrogen atoms, both polar nonpolar. New functions have been added RNA, interfaces, NMR...
MolProbity is a general-purpose web service offering quality validation for three-dimensional (3D) structures of proteins, nucleic acids and complexes. It provides detailed all-atom contact analysis any steric problems within the molecules can calculate display H-bond van der Waals contacts in interfaces between components. An integral step process addition full optimization all hydrogen atoms, both polar nonpolar. The results are reported multiple forms: as overall numeric scores, lists,...
Proper visualization of scientific data is important for understanding spatial relationships. Particularly in the field structural biology, where researchers seek to gain an structure and function biological macromolecules, it have access programs which are fast, flexible, customizable. We present KiNG, a Java program visualizing data, with focus on macromolecular visualization. KiNG uses kinemage graphics format, tuned structures, but also ideal many other kinds spatially embedded...
Abstract It is difficult to properly validate algorithms that dock a small molecule ligand into its protein receptor using data from the public domain: predictions are not blind because correct binding mode already known, and test cases may be representative of compounds interest such as drug leads. Here, we use private real discovery program carry out evaluation RosettaLigand docking methodology find performance on average comparable with best commercially available current programs. The...
The P450 enzyme CYP121 from
Human monkeypox (mpox) has recently become a global public health emergency; however, assays that detect mpox infection are not widely available, largely due to cross-reactivity within the Orthopoxvirus genus. Immunoassay development was confined researchers who focus on biothreats and endemic areas (Central West Africa) until 2022 outbreak. As noted in COVID-19 pandemic, antigen detection assays, integrated with molecular necessary help curb spread of disease. Antigen-detecting immunoassays...
Nitrogen (N) and phosphorus (P) deficiency are primary constraints for plant productivity, root system architecture (RSA) plays a vital role in the acquisition of these nutrients. The genetic determinants RSA poorly understood, primarily owing to complexity crop genomes lack sufficient phenotyping methods. objective this study was characterize two Brachypodium distachyon accessions under different nutrient availability. To do so, we used high-throughput growth imaging platform, developed...
Cysteine dioxygenase (CDO) is a nonheme iron enzyme that adds two oxygen atoms from dioxygen to the sulfur atom of l-cysteine. Adjacent site mammalian CDO, there post-translationally generated Cys-Tyr cofactor, whose presence substantially enhances oxygenase activity. The formation cofactor in CDO an autocatalytic process, and it challenging study by traditional techniques because cross-linking reaction side, uncoupled, single-turnover oxidation buried among multiple turnovers l-cysteine...
Cysteamine dioxygenase (ADO) has been reported to exhibit two distinct biological functions with a nonheme iron center. It catalyzes oxidation of both cysteamine in sulfur metabolism and N-terminal cysteine-containing proteins or peptides, such as regulator G protein signaling 5 (RGS5). thereby preserves oxygen homeostasis variety physiological processes. However, little is known about its catalytic center how it interacts these types primary substrates addition O2. Here, using electron...
CRISPR endonucleases require cognate non-coding RNA species for site-specific activity. These are typically expressed using endogenous polymerase III (Pol III) promoters compatible with the host species. This study describes applications of novel Pol promoters, which were computationally derived from a training set monocot U6 and U3 promoters. enabled genome editing in maize protoplast cells plants. Out 37 27 performed similarly to control promoter. Multiplexing five one construct...
Abstract Chromatin dysregulation has been implicated in the development of a wide range diseases, including cancer, as well therapeutic resistance. Genetic alterations chromatin regulatory factors and aberrant activity transcriptional regulators alter states drive tumor growth cancer. One example cancer that is driven by landscape Ewing sarcoma, highly aggressive pediatric bones soft tissues. sarcoma an oncoprotein generated translocation EWSR1 FLI1 genes, resulting fusion (EWSR1::FLI1),...
Abstract The biosynthesis of tryptophan tryptophylquinone, a protein‐derived cofactor, involves long‐range reaction mediated by bis‐Fe IV intermediate diheme enzyme, MauG. Recently, unique charge‐resonance (CR) phenomenon was discovered in this intermediate, and biological, long‐distance CR model proposed. This suggests that the chemical nature species is not as simple it appears; rather, composed collection resonance structures dynamic equilibrium. Here, we experimentally evaluated proposed...