List of works - Irina Kufareva

Structure of the CCR5 Chemokine Receptor-HIV Entry Inhibitor Maraviroc Complex

scientific article

The emerging mutational landscape of G proteins and G-protein-coupled receptors in cancer.

scientific article

Structural biology. Crystal structure of the chemokine receptor CXCR4 in complex with a viral chemokine

scientific article

Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment

scientific article published on August 2011

Crystal Structure of the Human Cannabinoid Receptor CB1.

scientific article

Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists

scientific article

3-Hydroxyanthranilic acid inhibits PDK1 activation and suppresses experimental asthma by inducing T cell apoptosis

scholarly article

Four-dimensional docking: a fast and accurate account of discrete receptor flexibility in ligand docking

scientific article published in January 2009

Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists

scientific article published on 07 December 2016

Advances in GPCR modeling evaluated by the GPCR Dock 2013 assessment: meeting new challenges

scientific article published on 24 July 2014

Chemokine and chemokine receptor structure and interactions: implications for therapeutic strategies

scientific article published on 24 February 2015

Pocketome: an encyclopedia of small-molecule binding sites in 4D

scientific article published on November 12, 2011

Methods of protein structure comparison

scientific article

Tyrosine phosphorylation of the Gα-interacting protein GIV promotes activation of phosphoinositide 3-kinase during cell migration

scientific article published on September 2011

Viral infection controlled by a calcium-dependent lipid-binding module in ALIX.

scientific article

Structure based prediction of subtype-selectivity for adenosine receptor antagonists

scientific article

Signal transmission through the CXC chemokine receptor 4 (CXCR4) transmembrane helices

scientific article

Pivotal role of P450-P450 interactions in CYP3A4 allostery: the case of α-naphthoflavone

scientific article published on July 2013

A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE).

scientific article published on 14 February 2008

Lapatinib-binding protein kinases in the African trypanosome: identification of cellular targets for kinase-directed chemical scaffolds

scientific article

Structural basis for activation of trimeric Gi proteins by multiple growth factor receptors via GIV/Girdin

scientific article

Improved docking, screening and selectivity prediction for small molecule nuclear receptor modulators using conformational ensembles

scientific article

Sulfopeptide probes of the CXCR4/CXCL12 interface reveal oligomer-specific contacts and chemokine allostery.

scientific article published on 26 June 2013

In silico analysis of the conservation of human toxicity and endocrine disruption targets in aquatic species

scientific article

Inactivating mutations in GNA13 and RHOA in Burkitt's lymphoma and diffuse large B-cell lymphoma: a tumor suppressor function for the Gα13/RhoA axis in B cells.

scientific article published on 30 November 2015

Structural basis of ligand interaction with atypical chemokine receptor 3.

scientific article published on 18 January 2017

Identifying ligands at orphan GPCRs: current status using structure-based approaches

scientific article published on 2 February 2016

Towards a structural understanding of allosteric drugs at the human calcium-sensing receptor

scientific article published on 22 March 2016

Orphan receptor ligand discovery by pickpocketing pharmacological neighbors

scientific article published on 19 December 2016

Dual targeting of the chemokine receptors CXCR4 and ACKR3 with novel engineered chemokines

scientific article published on 27 July 2015

Compound activity prediction using models of binding pockets or ligand properties in 3D.

scientific article

Identification of novel serotonin transporter compounds by virtual screening

scientific article published on 26 February 2014

AMP-activated protein kinase fortifies epithelial tight junctions during energetic stress via its effector GIV/Girdin

scientific article

Optimization of high throughput virtual screening by combining shape-matching and docking methods

scientific article

Chemokines and their receptors: insights from molecular modeling and crystallography

scientific article

Discovery of novel membrane binding structures and functions

scientific article

Activation of Gαi at the Golgi by GIV/Girdin Imposes Finiteness in Arf1 Signaling

scientific article published on April 9, 2015

Membrane and Protein Interactions of the Pleckstrin Homology Domain Superfamily

scientific article

A general method for site specific fluorescent labeling of recombinant chemokines

scientific article published on 28 January 2014

Molecular mechanism of serotonin transporter inhibition elucidated by a new flexible docking protocol

scientific article

Novel cGMP efflux inhibitors identified by virtual ligand screening (VLS) and confirmed by experimental studies

scientific article published on 20 March 2012

Spatial chemical distance based on atomic property fields

scientific article published on 13 March 2010

Structure-based predictions of activity cliffs

scientific article published on 11 May 2015

A novel approach to quantify G-protein-coupled receptor dimerization equilibrium using bioluminescence resonance energy transfer

scientific article

The Angiotensin Receptor Blocker Losartan Suppresses Growth of Pulmonary Metastases via AT1R-Independent Inhibition of CCR2 Signaling and Monocyte Recruitment.

scientific article published on 10 April 2019

Homology modeling and ligand docking of Mitogen-activated protein kinase-activated protein kinase 5 (MK5).

scientific article

Convergence of Wnt, growth factor, and heterotrimeric G protein signals on the guanine nucleotide exchange factor Daple.

scientific article published on 27 February 2018

PeptiSite: a structural database of peptide binding sites in 4D.

scientific article

Synthesis, antidepressant evaluation and docking studies of long-chain alkylnitroquipazines as serotonin transporter inhibitors

scientific article published on 11 April 2013

Disulfide Trapping for Modeling and Structure Determination of Receptor: Chemokine Complexes.

scientific article published on 13 January 2016

List of works by Irina Kufareva

Structure of the CCR5 Chemokine Receptor-HIV Entry Inhibitor Maraviroc Complex

The emerging mutational landscape of G proteins and G-protein-coupled receptors in cancer.

Structural biology. Crystal structure of the chemokine receptor CXCR4 in complex with a viral chemokine

Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment

Crystal Structure of the Human Cannabinoid Receptor CB1.

Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists

3-Hydroxyanthranilic acid inhibits PDK1 activation and suppresses experimental asthma by inducing T cell apoptosis

Four-dimensional docking: a fast and accurate account of discrete receptor flexibility in ligand docking

Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists

Advances in GPCR modeling evaluated by the GPCR Dock 2013 assessment: meeting new challenges

Chemokine and chemokine receptor structure and interactions: implications for therapeutic strategies

Pocketome: an encyclopedia of small-molecule binding sites in 4D

Methods of protein structure comparison

Tyrosine phosphorylation of the Gα-interacting protein GIV promotes activation of phosphoinositide 3-kinase during cell migration

Viral infection controlled by a calcium-dependent lipid-binding module in ALIX.

Structure based prediction of subtype-selectivity for adenosine receptor antagonists

Signal transmission through the CXC chemokine receptor 4 (CXCR4) transmembrane helices

Pivotal role of P450-P450 interactions in CYP3A4 allostery: the case of α-naphthoflavone

A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE).

Lapatinib-binding protein kinases in the African trypanosome: identification of cellular targets for kinase-directed chemical scaffolds

Structural basis for activation of trimeric Gi proteins by multiple growth factor receptors via GIV/Girdin

Improved docking, screening and selectivity prediction for small molecule nuclear receptor modulators using conformational ensembles

Sulfopeptide probes of the CXCR4/CXCL12 interface reveal oligomer-specific contacts and chemokine allostery.

In silico analysis of the conservation of human toxicity and endocrine disruption targets in aquatic species

Inactivating mutations in GNA13 and RHOA in Burkitt's lymphoma and diffuse large B-cell lymphoma: a tumor suppressor function for the Gα13/RhoA axis in B cells.

Structural basis of ligand interaction with atypical chemokine receptor 3.

Identifying ligands at orphan GPCRs: current status using structure-based approaches

Towards a structural understanding of allosteric drugs at the human calcium-sensing receptor

Orphan receptor ligand discovery by pickpocketing pharmacological neighbors

Dual targeting of the chemokine receptors CXCR4 and ACKR3 with novel engineered chemokines

Compound activity prediction using models of binding pockets or ligand properties in 3D.

Identification of novel serotonin transporter compounds by virtual screening

AMP-activated protein kinase fortifies epithelial tight junctions during energetic stress via its effector GIV/Girdin

Optimization of high throughput virtual screening by combining shape-matching and docking methods

Chemokines and their receptors: insights from molecular modeling and crystallography

Discovery of novel membrane binding structures and functions

Activation of Gαi at the Golgi by GIV/Girdin Imposes Finiteness in Arf1 Signaling

Membrane and Protein Interactions of the Pleckstrin Homology Domain Superfamily

A general method for site specific fluorescent labeling of recombinant chemokines

Molecular mechanism of serotonin transporter inhibition elucidated by a new flexible docking protocol

Novel cGMP efflux inhibitors identified by virtual ligand screening (VLS) and confirmed by experimental studies

Spatial chemical distance based on atomic property fields

Structure-based predictions of activity cliffs

A novel approach to quantify G-protein-coupled receptor dimerization equilibrium using bioluminescence resonance energy transfer

The Angiotensin Receptor Blocker Losartan Suppresses Growth of Pulmonary Metastases via AT1R-Independent Inhibition of CCR2 Signaling and Monocyte Recruitment.

Homology modeling and ligand docking of Mitogen-activated protein kinase-activated protein kinase 5 (MK5).

Convergence of Wnt, growth factor, and heterotrimeric G protein signals on the guanine nucleotide exchange factor Daple.

PeptiSite: a structural database of peptide binding sites in 4D.

Synthesis, antidepressant evaluation and docking studies of long-chain alkylnitroquipazines as serotonin transporter inhibitors

Disulfide Trapping for Modeling and Structure Determination of Receptor: Chemokine Complexes.