Lista de obras - Irina Kufareva - Dominio Público Uruguay

2-Aminothiazole Derivatives as Selective Allosteric Modulators of the Protein Kinase CK2. 2. Structure-Based Optimization and Investigation of Effects Specific to the Allosteric Mode of Action

artículo científico publicado en 2019

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

artículo científico publicado en 2007

A general method for site specific fluorescent labeling of recombinant chemokines

artículo científico publicado en 2014

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

artículo científico publicado en 2008

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

artículo científico publicado en 2013

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

artículo científico publicado en 2016

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

artículo científico publicado en 2014

CCR2-Mediated Uptake of Constitutively Produced CCL2: A Mechanism for Regulating Chemokine Levels in the Blood

scientific article published on 01 November 2019

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

artículo científico publicado en 2015

Chemokines and their receptors: insights from molecular modeling and crystallography

artículo científico publicado en 2016

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

artículo científico publicado en 2012

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

artículo científico publicado en 2018

Crosslinking-guided geometry of a complete CXC receptor-chemokine complex and the basis of chemokine subfamily selectivity

scientific article published on 09 April 2020

Crystal Structure of the Human Cannabinoid Receptor CB1

Crystal Structure of the Human Cannabinoid Receptor CB1.

artículo científico publicado en 2016

Differential activity and selectivity of N-terminal modified CXCL12 chemokines at the CXCR4 and ACKR3 receptors

scientific article published on 06 May 2020

Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2 inhibitors

scientific article published on 04 November 2019

Discovery of novel membrane binding structures and functions

artículo científico publicado en 2014

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

artículo científico publicado en 2016

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

artículo científico publicado en 2015

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

artículo científico publicado en 2009

Functional anatomy of the full-length CXCR4-CXCL12 complex systematically dissected by quantitative model-guided mutagenesis

artículo científico publicado en 2020

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

artículo científico publicado en 2013

Identification of novel serotonin transporter compounds by virtual screening

artículo científico publicado en 2014

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

artículo científico publicado en 2016

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

artículo científico publicado en 2010

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

artículo científico publicado en 2014

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.

artículo científico publicado en 2015

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

artículo científico publicado en 2013

Membrane and Protein Interactions of the Pleckstrin Homology Domain Superfamily

artículo científico publicado en 2015

Methods of protein structure comparison

artículo científico publicado en 2012

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

artículo científico publicado en 2011

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

artículo científico publicado en 2012

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

artículo científico publicado en 2008

Orphan receptor ligand discovery by pickpocketing pharmacological neighbors

artículo científico publicado en 2016

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

artículo científico publicado en 2014

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

scientific article published on July 2013

Quantum Mechanics Approaches to Drug Research in the Era of Structural Chemogenomics

artículo científico publicado en 2013

Receptor tyrosine kinases activate heterotrimeric G proteins via phosphorylation within the interdomain cleft of Gαi

artículo científico publicado en 2020

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

artículo científico publicado en 2016

Spatial chemical distance based on atomic property fields

artículo científico publicado en 2010

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

artículo científico publicado en 2011

Structural basis for GPCR-independent activation of heterotrimeric Gi proteins

artículo científico publicado en 2019

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

artículo científico publicado en 2014

Structural basis of ligand interaction with atypical chemokine receptor 3.

scientific article published on 18 January 2017

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

artículo científico publicado en 2015

Structure based prediction of subtype-selectivity for adenosine receptor antagonists

artículo científico publicado en 2010

Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists

artículo científico publicado en 2016

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

artículo científico publicado en 2013

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

artículo científico publicado en 2010

Structure-based predictions of activity cliffs

artículo científico publicado en 2015

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

artículo científico publicado en 2013

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

artículo científico publicado en 2013

Synthesis, in vitro binding studies and docking of long-chain arylpiperazine nitroquipazine analogues, as potential serotonin transporter inhibitors

artículo científico publicado en 2012

TLR4 signaling and macrophage inflammatory responses are dampened by GIV/Girdin

artículo científico publicado en 2020

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

artículo científico publicado en 2019

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

artículo científico publicado en 2013

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

artículo científico publicado en 2016

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

artículo científico publicado en 2011

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

artículo científico publicado en 2013

Lista de obras de Irina Kufareva

2-Aminothiazole Derivatives as Selective Allosteric Modulators of the Protein Kinase CK2. 2. Structure-Based Optimization and Investigation of Effects Specific to the Allosteric Mode of Action

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

A general method for site specific fluorescent labeling of recombinant chemokines

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

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

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

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

CCR2-Mediated Uptake of Constitutively Produced CCL2: A Mechanism for Regulating Chemokine Levels in the Blood

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

Chemokines and their receptors: insights from molecular modeling and crystallography

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

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

Crosslinking-guided geometry of a complete CXC receptor-chemokine complex and the basis of chemokine subfamily selectivity

Crystal Structure of the Human Cannabinoid Receptor CB1

Crystal Structure of the Human Cannabinoid Receptor CB1.

Differential activity and selectivity of N-terminal modified CXCL12 chemokines at the CXCR4 and ACKR3 receptors

Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2 inhibitors

Discovery of novel membrane binding structures and functions

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

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

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

Functional anatomy of the full-length CXCR4-CXCL12 complex systematically dissected by quantitative model-guided mutagenesis

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

Identification of novel serotonin transporter compounds by virtual screening

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

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

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.

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

Membrane and Protein Interactions of the Pleckstrin Homology Domain Superfamily

Methods of protein structure comparison

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

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

Orphan receptor ligand discovery by pickpocketing pharmacological neighbors

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

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

Quantum Mechanics Approaches to Drug Research in the Era of Structural Chemogenomics

Receptor tyrosine kinases activate heterotrimeric G proteins via phosphorylation within the interdomain cleft of Gαi

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

Spatial chemical distance based on atomic property fields

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

Structural basis for GPCR-independent activation of heterotrimeric Gi proteins

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

Structural basis of ligand interaction with atypical chemokine receptor 3.

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

Structure based prediction of subtype-selectivity for adenosine receptor antagonists

Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists

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

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

Structure-based predictions of activity cliffs

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

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

Synthesis, in vitro binding studies and docking of long-chain arylpiperazine nitroquipazine analogues, as potential serotonin transporter inhibitors

TLR4 signaling and macrophage inflammatory responses are dampened by GIV/Girdin

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

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

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

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.