Elucidating activation and deactivation dynamics of VEGFR-2 transmembrane domain with coarse-grained molecular dynamics simulations

YJ Go, M Kalathingal, YM Rhee - PloS one, 2023 - journals.plos.org
The vascular endothelial growth factor receptor 2 (VEGFR-2) is a member of receptor
tyrosine kinases (RTKs) and is a dimeric membrane protein that functions as a primary …

Local structural flexibility drives oligomorphism in computationally designed protein assemblies

A Khmelinskaia, NP Bethel, F Fatehi, A Antanasijevic… - bioRxiv, 2023 - biorxiv.org
Many naturally occurring protein assemblies have dynamic structures that allow them to
perform specialized functions. For example, clathrin coats adopt a wide variety of …

人工智能蛋白质结构设计算法研究进展

陈志航, 季梦麟, 戚逸飞 - 合成生物学, 2023 - synbioj.cip.com.cn
蛋白质是各类生命活动不可缺少的承担者, 其序列决定了折叠后的三维结构和功能.
这些具有特定功能的蛋白质在生物医学等多个领域具有重要的应用价值. 计算蛋白质设计可以 …

[PDF][PDF] Structure of the thrombopoietin MPL receptor complex is a blueprint for biasing hematopoiesis

IS Hitchcock, WG Grey - Cell, 2023 - eprints.whiterose.ac.uk
Thrombopoietin (THPO or TPO) is an essential cytokine for hematopoietic stem cell (HSC)
maintenance and megakaryocyte differentiation. Here, we report the 3.4 Aresolution …

Structure of the Wnt–Frizzled–LRP6 initiation complex reveals the basis for coreceptor discrimination

N Tsutsumi, S Hwang, D Waghray… - Proceedings of the …, 2023 - National Acad Sciences
Wnt morphogens are critical for embryonic development and tissue regeneration. Canonical
Wnts form ternary receptor complexes composed of tissue-specific Frizzled (Fzd) receptors …

Tuning of granulopoietic signaling by de novo designed agonists

T Ullrich, C Pollmann, M Ritter, J Haaf, N Aghaallaei… - bioRxiv, 2023 - biorxiv.org
Enhancing the efficacy of cytokine-based therapies by systematically tuning how an agonist
associates its receptor is emerging as a powerful new concept in drug discovery. De novo …

Research progress of artificial intelligence in desiging protein structures

C Zhihang, JI Menglin, QI Yifei - Synthetic Biology Journal, 2023 - synbioj.cip.com.cn
Proteins are essential to life as they carry out a great variety of biological functions. Protein
sequences determine their three-dimensional structures, and therefore physiological …

Systematic pharmacological analysis of agonistic and antagonistic fibroblast growth factor receptor 1 MAbs reveals a similar unique mode of action

J Chan, J Chan, L Shao, SS Stawicki, VC Pham… - Journal of Biological …, 2023 - ASBMB
Fibroblast growth factor receptor 1 (FGFR1) is a receptor tyrosine kinase that plays a major
role in developmental processes and metabolism. The dysregulation of FGFR1 through …

Distinct assemblies of heterodimeric cytokine receptors govern stemness programs in leukemia

WL Kan, U Dhagat, KB Kaufmann, TR Hercus, TL Nero… - Cancer Discovery, 2023 - AACR
Leukemia stem cells (LSC) possess distinct self-renewal and arrested differentiation
properties that are responsible for disease emergence, therapy failure, and recurrence in …

Designed Transmembrane Proteins Inhibit the Erythropoietin Receptor in a Custom Binding Topology

M Mravic, L He, H Kratochvil, H Hu, SE Nick, W Bai… - bioRxiv, 2023 - biorxiv.org
Transmembrane (TM) domains as simple as a single span can perform complex biological
functions using entirely lipid-embedded chemical features. Computational design has …