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Allosteric regulation in STAT3 interdomains is mediated by a rigid core: SH2 domain regulation by CCD in D170A variant

https://doi.org/10.1371/journal.pcbi.1010794

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Rhodium(II) Proximity‐Labeling Identifies a Novel Target Site on STAT3 for Inhibitors with Potent Anti‐Leukemia Activity

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General method for calculating helical parameters of polymer chains from bond lengths, bond angles, and internal‐rotation angles

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Structural basis for the binding of high affinity phosphopeptides to Stat3

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UCSF Chimera—A visualization system for exploratory research and analysis

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MDAnalysis: A toolkit for the analysis of molecular dynamics simulations

inferredcites →https://doi.org/10.1006/jmbi.2000.3765openalex-snapshot

Mutational investigation of the specificity determining region of the src SH2 domain 1 1Edited by J. A. Wells

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Probing Allosteric Mechanism with Long-Range Rigidity Transmission Across Protein Networks

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Hierarchical Agglomerative Clustering

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Principal component analysis

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MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories

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A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo

inferredcites →https://doi.org/10.1016/j.jmb.2016.01.003openalex-snapshot

Allosteric Communication across STAT3 Domains Associated with STAT3 Function and Disease-Causing Mutation

inferredcites →https://doi.org/10.1016/j.ymeth.2010.06.002openalex-snapshot

Everything you wanted to know about Markov State Models but were afraid to ask

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PyEMMA 2: A Software Package for Estimation, Validation, and Analysis of Markov Models

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Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ 1 and χ 2 Dihedral Angles

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Markov State Models: From an Art to a Science

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Conformationally Constrained Peptidomimetic Inhibitors of Signal Transducer and Activator of Transcription 3: Evaluation and Molecular Modeling

inferredcites →https://doi.org/10.1038/nrc1275openalex-snapshot

The STATs of cancer — new molecular targets come of age

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STATs in cancer inflammation and immunity: a leading role for STAT3

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Targeting the IL-6/JAK/STAT3 signalling axis in cancer

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Mechanistic insights into allosteric regulation of the A2A adenosine G protein-coupled receptor by physiological cations

inferredcites →https://doi.org/10.1038/s41467-020-17920-zopenalex-snapshot

Selective inhibition of STAT3 signaling using monobodies targeting the coiled-coil and N-terminal domains

inferredcites →https://doi.org/10.1039/b606246fopenalex-snapshot

Structure, function, and regulation of STAT proteins

inferredcites →https://doi.org/10.1063/5.0014475openalex-snapshot

Scalable molecular dynamics on CPU and GPU architectures with NAMD

inferredcites →https://doi.org/10.1073/pnas.0610064104openalex-snapshot

Molecular evolution of affinity and flexibility in the immune system

inferredcites →https://doi.org/10.1073/pnas.1417811112openalex-snapshot

Discovery of multiple hidden allosteric sites by combining Markov state models and experiments

inferredcites →https://doi.org/10.1073/pnas.1515876112openalex-snapshot

Mutations in the linker domain affect phospho-STAT3 function and suggest targets for interrupting STAT3 activity

inferredcites →https://doi.org/10.1074/jbc.274.3.1342openalex-snapshot

Characterization and Binding Specificity of the Monomeric STAT3-SH2 Domain

inferredcites →https://doi.org/10.1074/jbc.m112038200openalex-snapshot

Dissociation Time from DNA Determines Transcriptional Function in a STAT1 Linker Mutant

inferredcites →https://doi.org/10.1080/00268976.2018.1543904openalex-snapshot

REDAN: relative entropy-based dynamical allosteric network model

inferredcites →https://doi.org/10.1080/07391102.2000.10506570openalex-snapshot

HELANAL: A Program to Characterize Helix Geometry in Proteins

inferredcites →https://doi.org/10.1089/jir.2015.0054openalex-snapshot

STAT5 in Cancer and Immunity

inferredcites →https://doi.org/10.1093/nar/gkaa1100openalex-snapshot

UniProt: the universal protein knowledgebase in 2021

inferredcites →https://doi.org/10.1093/nar/gks375openalex-snapshot

H++ 3.0: automating pK prediction and the preparation of biomolecular structures for atomistic molecular modeling and simulations

inferredcites →https://doi.org/10.1093/nar/gky374openalex-snapshot

AlloFinder: a strategy for allosteric modulator discovery and allosterome analyses

inferredcites →https://doi.org/10.1126/science.1071545openalex-snapshot

A Road Map for Those Who Don't Know JAK-STAT

inferredcites →https://doi.org/10.1128/mcb.20.19.7132-7139.2000openalex-snapshot

The Coiled-Coil Domain of Stat3 Is Essential for Its SH2 Domain-Mediated Receptor Binding and Subsequent Activation Induced by Epidermal Growth Factor and Interleukin-6

inferredcites →https://doi.org/10.1371/journal.pcbi.1003782openalex-snapshot

Specificity and Affinity Quantification of Flexible Recognition from Underlying Energy Landscape Topography

inferredcites →https://doi.org/10.1371/journal.pone.0051603openalex-snapshot

Binding Modes of Peptidomimetics Designed to Inhibit STAT3

inferredcites →https://doi.org/10.1371/journal.pone.0145142openalex-snapshot

How Intrinsic Molecular Dynamics Control Intramolecular Communication in Signal Transducers and Activators of Transcription Factor STAT5

inferredcites →https://doi.org/10.1590/1678-4685-gmb-2018-0160openalex-snapshot

Targeting STAT-3 signaling pathway in cancer for development of novel drugs: Advancements and challenges

inferredcites →https://doi.org/10.2174/0929867325666180719122729openalex-snapshot

Signal Transducer and Activator of Transcription Protein 3 (STAT3): An Update on its Direct Inhibitors as Promising Anticancer Agents

inferredcites →https://doi.org/10.25080/majora-629e541a-00eopenalex-snapshot

MDAnalysis: A Python Package for the Rapid Analysis of Molecular Dynamics Simulations

inferredcites →https://doi.org/10.3109/9781420019957-3openalex-snapshot

Methods in Molecular Biology

inferredcites →https://doi.org/10.3390/cancers11111757openalex-snapshot

Structural Implications of STAT3 and STAT5 SH2 Domain Mutations

inferredcites →https://doi.org/10.3390/ijms19061591openalex-snapshot

Structural Biology of STAT3 and Its Implications for Anticancer Therapies Development

inferredcites →https://doi.org/10.4161/jkst.20045openalex-snapshot

STAT1 and STAT3 in tumorigenesis

inferredcites →https://doi.org/10.4161/trns.2.4.16614openalex-snapshot

Changing the STATus quo in T helper cells

inferredcites →https://doi.org/10.48550/arxiv.1201.0490openalex-snapshot

Scikit-learn: Machine Learning in Python

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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The Stat3 Inhibitor B9 Alleviates Lipopolysaccharide-Induced Acute Lung Injury Through its Anti-Inflammatory Effects

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Cardiomyocyte‐Enriched USP20 Ameliorates Pathological Cardiac Hypertrophy by Targeting STAT3 Deubiquitination

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Curcumin and Resveratrol as Dual Modulators of the STAT 3 Pathway in Lung Cancer: A Comprehensive Review

inferred← citeshttps://doi.org/10.1016/j.bbcan.2024.189207openalex-snapshot

Structure, function, signaling pathways and clinical therapeutics: The translational potential of STAT3 as a target for cancer therapy

inferred← citeshttps://doi.org/10.1016/j.bcp.2025.117375openalex-snapshot

Mechanistic insights and therapeutic prospects of targeting the signal transducer and activator of transcription 3 signaling pathway in cerebrovascular diseases

inferred← citeshttps://doi.org/10.1016/j.bcp.2026.118487openalex-snapshot

Macrophage-intrinsic STAT3 drives LPS-induced acute lung injury: allosteric blockade by K116 and genetic validation via conditional knockout

inferred← citeshttps://doi.org/10.1016/j.devcel.2025.01.014openalex-snapshot

STAT3-controlled CHI3L1/SPP1 positive feedback loop demonstrates the spatial heterogeneity and immune characteristics of glioblastoma

inferred← citeshttps://doi.org/10.1016/j.intimp.2024.112221openalex-snapshot

The STAT3 inhibitor B9 alleviates lipopolysaccharide-induced acute lung injury through its anti-inflammatory effects

inferred← citeshttps://doi.org/10.1016/j.intimp.2024.113523openalex-snapshot

A novel STAT3 CCD inhibitor for suppressing macrophage activation and lipopolysaccharide-induced acute lung injury

inferred← citeshttps://doi.org/10.21203/rs.3.rs-5264946/v1openalex-snapshot

Cardiomyocyte-enriched USP20 ameliorates pathological cardiac hypertrophy by targeting STAT3-CARM1 axis

inferred← citeshttps://doi.org/10.2139/ssrn.4859914openalex-snapshot

A Novel Stat3 Ccd Inhibitor for Suppressing Inflammasome Activation in Macrophages and Lipopolysaccharide-Induced Acute Lung Injury

inferred← citeshttps://doi.org/10.3389/fimmu.2026.1911338openalex-snapshot

STAT3 signaling in cancer: mechanisms and targeting therapeutic

inferred← citeshttps://doi.org/10.3390/ijms26189060openalex-snapshot

Update on Structure and Function of SH2 Domains: Mechanisms and Emerging Targeting Strategies

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