Principles of protein structural ensemble determination

M Bonomi, GT Heller, C Camilloni… - Current opinion in …, 2017 - Elsevier
Highlights•The principles of protein structural ensemble determination are described.•The
use of experimental data averaged over multiple states is analysed.•Approaches for …

[HTML][HTML] Computational modeling of protein assemblies

N Soni, MS Madhusudhan - Current opinion in structural biology, 2017 - Elsevier
Highlights•Template based protein complex modeling has gone beyond homology
modeling.•Protein docking methods have improved upon their sampling/scoring …

Structural mechanism of outer kinetochore Dam1-Ndc80 complex assembly on microtubules

KW Muir, C Batters, T Dendooven, J Yang, Z Zhang… - Science, 2023 - science.org
Kinetochores couple chromosomes to the mitotic spindle to segregate the genome during
cell division. An error correction mechanism drives the turnover of kinetochore-microtubule …

Human Ska complex and Ndc80 complex interact to form a load-bearing assembly that strengthens kinetochore–microtubule attachments

LA Helgeson, A Zelter, M Riffle… - Proceedings of the …, 2018 - National Acad Sciences
Accurate segregation of chromosomes relies on the force-bearing capabilities of the
kinetochore to robustly attach chromosomes to dynamic microtubule tips. The human Ska …

Structure of the DASH/Dam1 complex shows its role at the yeast kinetochore-microtubule interface

S Jenni, SC Harrison - Science, 2018 - science.org
Kinetochores connect mitotic-spindle microtubules with chromosomes, allowing microtubule
depolymerization to pull chromosomes apart during anaphase while resisting detachment …

A bifunctional role for the UHRF1 UBL domain in the control of hemi-methylated DNA-dependent histone ubiquitylation

PA DaRosa, JS Harrison, A Zelter, TN Davis, P Brzovic… - Molecular cell, 2018 - cell.com
DNA methylation patterns regulate gene expression programs and are maintained through a
highly coordinated process orchestrated by the RING E3 ubiquitin ligase UHRF1. UHRF1 …

High-density chemical cross-linking for modeling protein interactions

J Mintseris, SP Gygi - … of the National Academy of Sciences, 2020 - National Acad Sciences
Detailed mechanistic understanding of protein complex function is greatly enhanced by
insights from its 3-dimensional structure. Traditional methods of protein structure elucidation …

Computationally designed high specificity inhibitors delineate the roles of BCL2 family proteins in cancer

S Berger, E Procko, D Margineantu, EF Lee, BW Shen… - elife, 2016 - elifesciences.org
Many cancers overexpress one or more of the six human pro-survival BCL2 family proteins
to evade apoptosis. To determine which BCL2 protein or proteins block apoptosis in different …

Mps1 regulates kinetochore-microtubule attachment stability via the Ska complex to ensure error-free chromosome segregation

J Maciejowski, H Drechsler, K Grundner-Culemann… - Developmental cell, 2017 - cell.com
The spindle assembly checkpoint kinase Mps1 not only inhibits anaphase but also corrects
erroneous attachments that could lead to missegregation and aneuploidy. However, Mps1's …

Metadynamic metainference: Enhanced sampling of the metainference ensemble using metadynamics

M Bonomi, C Camilloni, M Vendruscolo - Scientific reports, 2016 - nature.com
Accurate and precise structural ensembles of proteins and macromolecular complexes can
be obtained with metainference, a recently proposed Bayesian inference method that …