Computational design of synthetic enzymes

V Vaissier Welborn, T Head-Gordon - Chemical reviews, 2018 - ACS Publications
We review the standard model for de novo computational design of enzymes, which
primarily focuses on the development of an active-site geometry, composed of protein …

Computational amide I 2D IR spectroscopy as a probe of protein structure and dynamics

M Reppert, A Tokmakoff - Annual Review of Physical Chemistry, 2016 - annualreviews.org
Two-dimensional infrared spectroscopy of amide I vibrations is increasingly being used to
study the structure and dynamics of proteins and peptides. Amide I, a primarily carbonyl …

Structure of class B GPCR corticotropin-releasing factor receptor 1

K Hollenstein, J Kean, A Bortolato, RKY Cheng… - Nature, 2013 - nature.com
Structural analysis of class B G-protein-coupled receptors (GPCRs), cell-surface proteins
that respond to peptide hormones, has been restricted to the amino-terminal extracellular …

Phosphoglycerate mutase 1 coordinates glycolysis and biosynthesis to promote tumor growth

T Hitosugi, L Zhou, S Elf, J Fan, HB Kang, JH Seo… - Cancer cell, 2012 - cell.com
It is unclear how cancer cells coordinate glycolysis and biosynthesis to support rapidly
growing tumors. We found that the glycolytic enzyme phosphoglycerate mutase 1 (PGAM1) …

A G-quadruplex–containing RNA activates fluorescence in a GFP-like fluorophore

H Huang, NB Suslov, NS Li, SA Shelke… - Nature chemical …, 2014 - nature.com
Spinach is an in vitro–selected RNA aptamer that binds a GFP-like ligand and activates its
green fluorescence. Spinach is thus an RNA analog of GFP and has potentially widespread …

Structure of the LH1–RC complex from Thermochromatium tepidum at 3.0 Å

S Niwa, LJ Yu, K Takeda, Y Hirano, T Kawakami… - Nature, 2014 - nature.com
The light-harvesting core antenna (LH1) and the reaction centre (RC) of purple
photosynthetic bacteria form a supramolecular complex (LH1–RC) to use sunlight energy in …

Improved low-resolution crystallographic refinement with Phenix and Rosetta

F DiMaio, N Echols, JJ Headd, TC Terwilliger… - Nature …, 2013 - nature.com
Refinement of macromolecular structures against low-resolution crystallographic data is
limited by the ability of current methods to converge on a structure with realistic geometry …

The molecular basis for modulation of human Vγ9Vδ2 T cell responses by CD277/butyrophilin-3 (BTN3A)-specific antibodies

A Palakodeti, A Sandstrom, L Sundaresan… - Journal of Biological …, 2012 - ASBMB
Human Vγ9Vδ2 T cells are well known for their rapid and potent response to infection and
tumorigenesis when in the presence of endogenous or exogenous phosphoisoprenoids …

Full-length human glutaminase in complex with an allosteric inhibitor

B DeLaBarre, S Gross, C Fang, Y Gao, A Jha… - Biochemistry, 2011 - ACS Publications
Glutaminase (GLS1/2) catalyzes the conversion of l-glutamine to l-glutamate and ammonia.
The level of a splice variant of GLS1 (GAC) is elevated in certain cancers, and GAC is …

Computational methodologies for real-space structural refinement of large macromolecular complexes

BC Goh, JA Hadden, RC Bernardi… - Annual Review of …, 2016 - annualreviews.org
The rise of the computer as a powerful tool for model building and refinement has
revolutionized the field of structure determination for large biomolecular systems. Despite …