Protein ensembles: how does nature harness thermodynamic fluctuations for life? The diverse functional roles of conformational ensembles in the cell

G Wei, W Xi, R Nussinov, B Ma - Chemical reviews, 2016 - ACS Publications
All soluble proteins populate conformational ensembles that together constitute the native
state. Their fluctuations in water are intrinsic thermodynamic phenomena, and the …

Dynamics-driven allostery in protein kinases

AP Kornev, SS Taylor - Trends in biochemical sciences, 2015 - cell.com
Protein kinases have very dynamic structures and their functionality strongly depends on
their dynamic state. Active kinases reveal a dynamic pattern with residues clustering into …

Dynamic architecture of a protein kinase

CL McClendon, AP Kornev… - Proceedings of the …, 2014 - National Acad Sciences
Protein kinases are dynamically regulated signaling proteins that act as switches in the cell
by phosphorylating target proteins. To establish a framework for analyzing linkages between …

PKA: lessons learned after twenty years

SS Taylor, P Zhang, JM Steichen, MM Keshwani… - … et Biophysica Acta (BBA …, 2013 - Elsevier
The first protein kinase structure, solved in 1991, revealed the fold that is shared by all
members of the eukaryotic protein kinase superfamily and showed how the conserved …

Shining a light on enzyme promiscuity

SD Copley - Current opinion in structural biology, 2017 - Elsevier
Highlights•Screening efforts have revealed enzymes with over 100 promiscuous
activities.•High-throughput screening for promiscuous activities can be accomplished in …

Protein dynamics and function from solution state NMR spectroscopy

M Kovermann, P Rogne, M Wolf-Watz - Quarterly reviews of …, 2016 - cambridge.org
It is well-established that dynamics are central to protein function; their importance is
implicitly acknowledged in the principles of the Monod, Wyman and Changeux model of …

Evolution of the eukaryotic protein kinases as dynamic molecular switches

SS Taylor, MM Keshwani… - … Transactions of the …, 2012 - royalsocietypublishing.org
Protein kinases have evolved in eukaryotes to be highly dynamic molecular switches that
regulate a plethora of biological processes. Two motifs, a dynamic activation segment and a …

Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6

JL Stamos, MLH Chu, MD Enos, N Shah, WI Weis - Elife, 2014 - elifesciences.org
Glycogen synthase kinase-3 (GSK-3) is a key regulator of many cellular signaling pathways.
Unlike most kinases, GSK-3 is controlled by inhibition rather than by specific activation. In …

From structure to the dynamic regulation of a molecular switch: A journey over 3 decades

SS Taylor, J Wu, JGH Bruystens, JC Del Rio… - Journal of Biological …, 2021 - ASBMB
It is difficult to imagine where the signaling community would be today without the Protein
Data Bank. This visionary resource, established in the 1970s, has been an essential partner …

Dynamic allostery: linkers are not merely flexible

B Ma, CJ Tsai, T Haliloğlu, R Nussinov - Structure, 2011 - cell.com
Most proteins consist of multiple domains. How do linkers efficiently transfer information
between sites that are on different domains to activate the protein? Mere flexibility only …