Molecular knots

SDP Fielden, DA Leigh… - Angewandte Chemie …, 2017 - Wiley Online Library
The first synthetic molecular trefoil knot was prepared in the late 1980s. However, it is only in
the last few years that more complex small‐molecule knot topologies have been realized …

Polymers with spatial or topological constraints: Theoretical and computational results

C Micheletti, D Marenduzzo, E Orlandini - Physics Reports, 2011 - Elsevier
In this review, we provide an organized summary of the theoretical and computational
results that are available for polymers subject to spatial or topological constraints. Because …

KnotProt: a database of proteins with knots and slipknots

M Jamroz, W Niemyska, EJ Rawdon… - Nucleic acids …, 2015 - academic.oup.com
The protein topology database KnotProt, http://knotprot. cent. uw. edu. pl/, collects
information about protein structures with open polypeptide chains forming knots or slipknots …

Conservation of complex knotting and slipknotting patterns in proteins

JI Sulkowska, EJ Rawdon, KC Millet, JN Onuchic… - Biophysical …, 2012 - cell.com
The last decade has shown that there are an increasing numbers of known proteins that
contain linear open knots or slipknots in their native folded structure. In general, knots in …

Molecular knots in biology and chemistry

NCH Lim, SE Jackson - Journal of Physics: Condensed Matter, 2015 - iopscience.iop.org
Knots and entanglements are ubiquitous. Beyond their aesthetic appeal, these fascinating
topological entities can be either useful or cumbersome. In recent decades, the importance …

AlphaFold predicts the most complex protein knot and composite protein knots

MA Brems, R Runkel, TO Yeates, P Virnau - Protein Science, 2022 - Wiley Online Library
The computer artificial intelligence system AlphaFold has recently predicted previously
unknown three‐dimensional structures of thousands of proteins. Focusing on the subset with …

On folding of entangled proteins: knots, lassos, links and θ-curves

JI Sulkowska - Current opinion in structural biology, 2020 - Elsevier
Around 6% of protein structures deposited in the PDB are entangled, forming knots,
slipknots, lassos, links, and θ-curves. In each of these cases, the protein backbone weaves …

[HTML][HTML] Folding and functions of knotted proteins

STD Hsu - Current Opinion in Structural Biology, 2023 - Elsevier
Topologically knotted proteins have entangled structural elements within their native
structures that cannot be disentangled simply by pulling from the N-and C-termini …

Probing the entanglement and locating knots in ring polymers: a comparative study of different arc closure schemes

L Tubiana, E Orlandini… - Progress of Theoretical …, 2011 - academic.oup.com
The interplay between the topological and geometrical properties of a polymer ring can be
clarified by establishing the entanglement trapped in any portion (arc) of the ring. The task …

How to fold intricately: using theory and experiments to unravel the properties of knotted proteins

SE Jackson, A Suma, C Micheletti - Current opinion in structural biology, 2017 - Elsevier
Highlights•Knotted proteins span diverse biological functions and cover∼ 1% of all PDB
entries.•Reaching their knotted native states requires a concerted series of folding …