Binding cavities and druggability of intrinsically disordered proteins

Pharmacokinetic modeling optimizes inhibition of the ‘undruggable’ EWS-FLI1 transcription factor in Ewing Sarcoma

(2015) Sung-Hyeok Hong et al.   Oncotarget

Small molecule compounds targeting the p53 pathway: are we finally making progress?

(2014) Xin Yu et al.   APOPTOSIS

p15PAF Is an Intrinsically Disordered Protein with Nonrandom Structural Preferences at Sites of Interaction with Other Proteins

(2014) Alfredo De Biasio et al.   BIOPHYSICAL JOURNAL

Targeting the disordered C terminus of PTP1B with an allosteric inhibitor

(2014) Navasona Krishnan et al.   Nature Chemical Biology

Targeting the Intrinsically Disordered Structural Ensemble of α-Synuclein by Small Molecules as a Potential Therapeutic Strategy for Parkinson’s Disease

(2014) Gergely Tóth et al.   PLoS One

High-Throughput Screening Reveals Alsterpaullone, 2-Cyanoethyl as a Potent p27Kip1 Transcriptional Inhibitor

(2014) Brandon J. Walters et al.   PLoS One

Discovery of Novel Allosteric Effectors Based on the Predicted Allosteric Sites for Escherichia coli D-3-Phosphoglycerate Dehydrogenase

(2014) Qian Wang et al.   PLoS One

Advantages of proteins being disordered

(2014) Zhirong Liu et al.   PROTEIN SCIENCE

Development of a High-Throughput Screening–Compatible Assay for the Discovery of Inhibitors of the AF4-AF9 Interaction Using AlphaScreen Technology

(2013) Venita Gresham Watson et al.   ASSAY AND DRUG DEVELOPMENT TECHNOLOGIES

Inherent Relationships among Different Biophysical Prediction Methods for Intrinsically Disordered Proteins

(2013) Fan Jin et al.   BIOPHYSICAL JOURNAL

Molecular Mechanism of SSR128129E, an Extracellularly Acting, Small-Molecule, Allosteric Inhibitor of FGF Receptor Signaling

(2013) Corentin Herbert et al.   CANCER CELL

Multisteric Regulation by Structural Disorder in Modular Signaling Proteins: An Extension of the Concept of Allostery

(2013) Peter Tompa   CHEMICAL REVIEWS

Do Intrinsically Disordered Proteins Possess High Specificity in Protein-Protein Interactions?

(2013) Yongqi Huang et al.   CHEMISTRY-A EUROPEAN JOURNAL

Binding Site Detection and Druggability Prediction of Protein Targets for Structure- Based Drug Design

(2013) Yaxia Yuan et al.   CURRENT PHARMACEUTICAL DESIGN

How to design a drug for the disordered proteins?

(2013) Calvin Yu-Chian Chen et al.   DRUG DISCOVERY TODAY

Identification of small-molecule binding pockets in the soluble monomeric form of the Aβ42 peptide

(2013) Maximillian Zhu et al.   JOURNAL OF CHEMICAL PHYSICS

pE-DB: a database of structural ensembles of intrinsically disordered and of unfolded proteins

(2013) Mihaly Varadi et al.   NUCLEIC ACIDS RESEARCH

MYC inhibition induces metabolic changes leading to accumulation of lipid droplets in tumor cells

(2013) H. Zirath et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

A decade and a half of protein intrinsic disorder: Biology still waits for physics

(2013) Vladimir N. Uversky   PROTEIN SCIENCE

Polycation-π Interactions Are a Driving Force for Molecular Recognition by an Intrinsically Disordered Oncoprotein Family

(2013) Jianhui Song et al.   PLoS Computational Biology

Exploring Protein-Peptide Binding Specificity through Computational Peptide Screening

(2013) Arnab Bhattacherjee et al.   PLoS Computational Biology

Ligand Clouds around Protein Clouds: A Scenario of Ligand Binding with Intrinsically Disordered Proteins

(2013) Fan Jin et al.   PLoS Computational Biology

Mechanisms of small-molecule binding to intrinsically disordered proteins: Figure 1

(2012) Rémi Cuchillo et al.   BIOCHEMICAL SOCIETY TRANSACTIONS

Unusual biophysics of intrinsically disordered proteins

(2012) Vladimir N. Uversky   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

MoRFpred, a computational tool for sequence-based prediction and characterization of short disorder-to-order transitioning binding regions in proteins

(2012) Fatemeh Miri Disfani et al.   BIOINFORMATICS

Intrinsically disordered proteins and novel strategies for drug discovery

(2012) Vladimir N. Uversky   Expert Opinion on Drug Discovery

A Novel “Molecular Tweezer” Inhibitor of α-Synuclein Neurotoxicity in Vitro and in Vivo

(2012) Shubhangi Prabhudesai et al.   Neurotherapeutics

Leukemia Fusion Target AF9 Is an Intrinsically Disordered Transcriptional Regulator that Recruits Multiple Partners via Coupled Folding and Binding

(2012) Benjamin I. Leach et al.   STRUCTURE

A Preformed Binding Interface in the Unbound Ensemble of an Intrinsically Disordered Protein: Evidence from Molecular Simulations

(2012) Michael Knott et al.   PLoS Computational Biology

Unstructural biology coming of age

(2011) Peter Tompa   CURRENT OPINION IN STRUCTURAL BIOLOGY

Intrinsically disordered proteins: regulation and disease

(2011) M Madan Babu et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Targeting p27Kip1protein: its relevance in the therapy of human cancer

(2011) Adriana Borriello et al.   EXPERT OPINION ON THERAPEUTIC TARGETS

Anchoring Intrinsically Disordered Proteins to Multiple Targets: Lessons from N-Terminus of the p53 Protein

(2011) Yongqi Huang et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Novel Strategies for Drug Discovery Based on Intrinsically Disordered Proteins (IDPs)

(2011) Jihua Wang et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

LigBuilder 2: A Practicalde NovoDrug Design Approach

(2011) Yaxia Yuan et al.   Journal of Chemical Information and Modeling

Lysine-Specific Molecular Tweezers Are Broad-Spectrum Inhibitors of Assembly and Toxicity of Amyloid Proteins

(2011) Sharmistha Sinha et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structure-based design of non-natural amino-acid inhibitors of amyloid fibril formation

(2011) Stuart A. Sievers et al.   NATURE

Intrinsic disorder: signaling via highly specific but short-lived association

(2011) Huan-Xiang Zhou   TRENDS IN BIOCHEMICAL SCIENCES

Intrinsically disordered proteins are potential drug targets

(2010) Steven J Metallo   CURRENT OPINION IN CHEMICAL BIOLOGY

Drugs for ‘protein clouds’: targeting intrinsically disordered transcription factors

(2010) A Keith Dunker et al.   CURRENT OPINION IN PHARMACOLOGY

Structural insights into the YAP and TEAD complex

(2010) Z. Li et al.   GENES & DEVELOPMENT

Decision making of the p53 network: Death by integration

(2010) Zhiyuan Li et al.   JOURNAL OF THEORETICAL BIOLOGY

Smoothing molecular interactions: The “kinetic buffer” effect of intrinsically disordered proteins

(2010) Yongqi Huang et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Small molecule inhibitors of Myc/Max dimerization and Myc-induced cell transformation

(2009) Jin Shi et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Protein disorder in the human diseasome: unfoldomics of human genetic diseases

(2009) Uros Midic et al.   BMC GENOMICS

Kinetic Advantage of Intrinsically Disordered Proteins in Coupled Folding–Binding Process: A Critical Assessment of the “Fly-Casting” Mechanism

(2009) Yongqi Huang et al.   JOURNAL OF MOLECULAR BIOLOGY

Multiple Independent Binding Sites for Small-Molecule Inhibitors on the Oncoprotein c-Myc

(2009) Dalia I. Hammoudeh et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecular targeting of MLL-rearranged leukemia cell lines with the synthetic peptide PFWT synergistically enhances the cytotoxic effect of established chemotherapeutic agents

(2009) Cecily A. Bennett et al.   LEUKEMIA RESEARCH

Disorder-to-order conformational transitions in protein structure and its relationship to disease

(2009) Paola Mendoza-Espinosa et al.   MOLECULAR AND CELLULAR BIOCHEMISTRY

A small molecule blocking oncogenic protein EWS-FLI1 interaction with RNA helicase A inhibits growth of Ewing's sarcoma

(2009) Hayriye V Erkizan et al.   NATURE MEDICINE

Dynamic structure of lipid-bound synaptobrevin suggests a nucleation-propagation mechanism for trans-SNARE complex formation

(2009) J. F. Ellena et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Intrinsic Structural Disorder Confers Cellular Viability on Oncogenic Fusion Proteins

(2009) Hedi Hegyi et al.   PLoS Computational Biology

Structural Biology of the Tumor Suppressor p53

(2008) Andreas C. Joerger et al.   Annual Review of Biochemistry

Intrinsically Disordered Proteins in Human Diseases: Introducing the D2 Concept

(2008) Vladimir N. Uversky et al.   Annual Review of Biophysics

MicroRNA-126 inhibits invasion in non-small cell lung carcinoma cell lines

(2008) M. Crawford et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

A potent mechanism-inspired O-GlcNAcase inhibitor that blocks phosphorylation of tau in vivo

(2008) Scott A Yuzwa et al.   Nature Chemical Biology

The solution structure of ZNF593 from Homo sapiens reveals a zinc finger in a predominately unstructured protein

(2008) Paulette L. Hayes et al.   PROTEIN SCIENCE

The AF4-mimetic peptide, PFWT, induces necrotic cell death in MV4-11 leukemia cells

(2007) Christine M. Palermo et al.   LEUKEMIA RESEARCH