Gaussian accelerated molecular dynamics: Principles and applications

J Wang, PR Arantes, A Bhattarai… - Wiley …, 2021 - Wiley Online Library
Gaussian accelerated molecular dynamics (GaMD) is a robust computational method for
simultaneous unconstrained enhanced sampling and free energy calculations of …

L-arginine metabolism as pivotal interface of mutual host–microbe interactions in the gut

B Nüse, T Holland, M Rauh, RG Gerlach, J Mattner - Gut Microbes, 2023 - Taylor & Francis
ABSTRACT L-arginine (L-arg) is a versatile amino acid and a central intestinal metabolite in
mammalian and microbial organisms. Thus, L-arg participates as precursor of multiple …

Synthetic glycobiology: parts, systems, and applications

W Kightlinger, KF Warfel, MP DeLisa… - ACS synthetic …, 2020 - ACS Publications
Protein glycosylation, the attachment of sugars to amino acid side chains, can endow
proteins with a wide variety of properties of great interest to the engineering biology …

Speaking the host language: how Salmonella effector proteins manipulate the host

TD Pillay, SU Hettiarachchi, J Gan… - …, 2023 - microbiologyresearch.org
Salmonella injects over 40 virulence factors, termed effectors, into host cells to subvert
diverse host cellular processes. Of these 40 Salmonella effectors, at least 25 have been …

Arginine kinase activates Arginine for phosphorylation by pyramidalization and polarization

F Falcioni, RW Molt Jr, Y Jin, JP Waltho, S Hay… - ACS …, 2024 - ACS Publications
Arginine phosphorylation plays numerous roles throughout biology. Arginine kinase (AK)
catalyzes the delivery of an anionic phosphoryl group (PO3–) from ATP to a planar, trigonal …

Salmonella effectors SseK1 and SseK3 target death domain proteins in the TNF and TRAIL signaling pathways*[S]

JPM Newson, NE Scott, IYW Chung, TWF Lung… - Molecular & Cellular …, 2019 - ASBMB
Strains of Salmonella utilize two distinct type three secretion systems to deliver effector
proteins directly into host cells. The Salmonella effectors SseK1 and SseK3 are arginine …

Opportunities and challenges of bacterial glycosylation for the development of novel antibacterial strategies

L Yakovlieva, JA Fülleborn, MTC Walvoort - Frontiers in Microbiology, 2021 - frontiersin.org
Glycosylation is a ubiquitous process that is universally conserved in nature. The various
products of glycosylation, such as polysaccharides, glycoproteins, and glycolipids, perform a …

Structural and functional insights into host death domains inactivation by the bacterial arginine GlcNAcyltransferase effector

J Ding, X Pan, L Du, Q Yao, J Xue, H Yao, DC Wang… - Molecular cell, 2019 - cell.com
Enteropathogenic E. coli NleB and related type III effectors catalyze arginine GlcNAcylation
of death domain (DD) proteins to block host defense, but the underlying mechanism is …

New discoveries in bacterial N-glycosylation to expand the synthetic biology toolbox

H Nothaft, CM Szymanski - Current Opinion in Chemical Biology, 2019 - Elsevier
Historically, protein glycosylation was believed to be restricted to eukaryotes, but now is
abundantly represented in all three domains of life. The first bacterial N-linked glycosylation …

An intra-bacterial activity for a T3SS effector

S El Qaidi, NE Scott, MP Hays, BV Geisbrecht… - Scientific Reports, 2020 - nature.com
Many Gram-negative bacterial pathogens interact with mammalian cells by using type III
secretion systems (T3SS) to inject virulence proteins into host cells. A subset of these …