Structural systems biology: modelling protein interactions

P Aloy, RB Russell - Nature reviews Molecular cell biology, 2006 - nature.com
Much of systems biology aims to predict the behaviour of biological systems on the basis of
the set of molecules involved. Understanding the interactions between these molecules is …

Progress towards the development of SH2 domain inhibitors

D Kraskouskaya, E Duodu, CC Arpin… - Chemical Society …, 2013 - pubs.rsc.org
Src homology 2 (SH2) domains are 100 amino acid modular units, which recognize and
bind to tyrosyl-phosphorylated peptide sequences on their target proteins, and thereby …

Protein photo-cross-linking in mammalian cells by site-specific incorporation of a photoreactive amino acid

N Hino, Y Okazaki, T Kobayashi, A Hayashi… - Nature …, 2005 - nature.com
We report a method of photo-cross-linking proteins in mammalian cells, which is based on
site-specific incorporation of a photoreactive amino acid, p-benzoyl-l-phenylalanine (p Bpa) …

Thermodynamic and structural effects of conformational constraints in protein− ligand interactions. Entropic paradoxy associated with ligand preorganization

JE DeLorbe, JH Clements, MG Teresk… - Journal of the …, 2009 - ACS Publications
Succinate-and cyclopropane-derived phosphotyrosine (pY) replacements were incorporated
into a series of Grb2 SH2 binding ligands wherein the pY+ 1 residue was varied to …

Dynamic interactions of proteins in complex networks: a more structured view

A Stein, RA Pache, P Bernado, M Pons… - The FEBS …, 2009 - Wiley Online Library
Virtually every process in a cell is carried out by macromolecular complexes whose actions
need to be perfectly orchestrated. The synchronization and regulation of these biological …

MMDB: Entrez's 3D-structure database

J Chen, JB Anderson, C DeWeese-Scott… - Nucleic Acids …, 2003 - academic.oup.com
Three-dimensional structures are now known within most protein families and it is likely,
when searching a sequence database, that one will identify a homolog of known structure …

Ancient MAPK ERK7 is regulated by an unusual inhibitory scaffold required for Toxoplasma apical complex biogenesis

PS Back, WJ O'Shaughnessy… - Proceedings of the …, 2020 - National Acad Sciences
Apicomplexan parasites use a specialized cilium structure called the apical complex to
organize their secretory organelles and invasion machinery. The apical complex is integrally …

Loops govern SH2 domain specificity by controlling access to binding pockets

T Kaneko, H Huang, B Zhao, L Li, H Liu, CK Voss… - Science …, 2010 - science.org
Cellular functions require specific protein-protein interactions that are often mediated by
modular domains that use binding pockets to engage particular sequence motifs in their …

Thermodynamic and structural effects of macrocyclic constraints in protein− ligand interactions

JE DeLorbe, JH Clements, BB Whiddon… - ACS medicinal …, 2010 - ACS Publications
The thermodynamic and structural effects of macrocyclization as a tactic for stabilizing the
biologically active conformation of Grb2 SH2 binding peptides were investigated using …

MutateX: an automated pipeline for in silico saturation mutagenesis of protein structures and structural ensembles

M Tiberti, T Terkelsen, K Degn, L Beltrame… - Briefings in …, 2022 - academic.oup.com
Mutations, which result in amino acid substitutions, influence the stability of proteins and
their binding to biomolecules. A molecular understanding of the effects of protein mutations …