Allosteric modulation of the chemokine receptor-chemokine CXCR4-CXCL12 complex by tyrosine sulfation

Conformational plasticity and dynamic interactions of the N-terminal domain of the chemokine receptor CXCR1

(2021) Shalmali Kharche et al.   PLoS Computational Biology

Dynamic protein interfaces and conformational landscapes of membrane protein complexes

(2020) Shalmali A Kharche et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

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

(2020) Tony Ngo et al.   PLOS BIOLOGY

CCR5 tyrosine sulfation heterogeneity generates cell surface receptor subpopulations with different ligand binding properties

(2020) I. Scurci et al.   BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS

Long-Range Coupled Motions Underlie Ligand Recognition by a Chemokine Receptor

(2020) Krishna Mohan Sepuru et al.   iScience

Structural basis of chemokine and receptor interactions: Key regulators of leukocyte recruitment in inflammatory responses

(2019) Ram Prasad Bhusal et al.   PROTEIN SCIENCE

Membrane-induced organization and dynamics of the N-terminal domain of chemokine receptor CXCR1: insights from atomistic simulations

(2018) Shalmali Kharche et al.   CHEMISTRY AND PHYSICS OF LIPIDS

Mapping Interaction Sites on Human Chemokine Receptors by Deep Mutational Scanning

(2018) Jeremiah D. Heredia et al.   JOURNAL OF IMMUNOLOGY

Structure of CC Chemokine Receptor 5 with a Potent Chemokine Antagonist Reveals Mechanisms of Chemokine Recognition and Molecular Mimicry by HIV

(2017) Yi Zheng et al.   IMMUNITY

Coarse-Grained Prediction of Peptide Binding to G-Protein Coupled Receptors

(2017) Bartholomé Delort et al.   Journal of Chemical Information and Modeling

Structural basis for chemokine recognition by a G protein–coupled receptor and implications for receptor activation

(2017) Joshua J. Ziarek et al.   Science Signaling

Structural basis of ligand interaction with atypical chemokine receptor 3

(2017) Martin Gustavsson et al.   Nature Communications

Structural basis for chemokine recognition by a G protein–coupled receptor and implications for receptor activation

(2017) Joshua J. Ziarek et al.   Science Signaling

New paradigms in chemokine receptor signal transduction: Moving beyond the two-site model

(2016) Andrew B. Kleist et al.   BIOCHEMICAL PHARMACOLOGY

Interaction of chemokine receptor CXCR4 in monomeric and dimeric state with its endogenous ligand CXCL12: coarse-grained simulations identify differences

(2016) Pasquale Cutolo et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

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

(2016) Melanie P. Wescott et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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

(2015) Irina Kufareva et al.   IMMUNOLOGY AND CELL BIOLOGY

Structural basis for chemokine recognition and activation of a viral G protein-coupled receptor

(2015) J. S. Burg et al.   SCIENCE

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

(2015) L. Qin et al.   SCIENCE

Determination of the binding mode for the cyclopentapeptide CXCR4 antagonist FC131 using a dual approach of ligand modifications and receptor mutagenesis

(2014) S Thiele et al.   BRITISH JOURNAL OF PHARMACOLOGY

Elucidating a Key Component of Cancer Metastasis: CXCL12 (SDF-1α) Binding to CXCR4

(2014) Phanourios Tamamis et al.   Journal of Chemical Information and Modeling

Sulfopeptide Probes of the CXCR4/CXCL12 Interface Reveal Oligomer-Specific Contacts and Chemokine Allostery

(2013) Joshua J. Ziarek et al.   ACS Chemical Biology

The structural role of receptor tyrosine sulfation in chemokine recognition

(2013) Justin P Ludeman et al.   BRITISH JOURNAL OF PHARMACOLOGY

CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data

(2013) Jing Huang et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Understanding Selectin Counter-Receptor Binding from Electrostatic Energy Computations and Experimental Binding Studies

(2013) Anna Lena Woelke et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Structural basis of the interactions between CXCR4 and CXCL12/SDF-1 revealed by theoretical approaches

(2013) Lei Xu et al.   Molecular BioSystems

Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles

(2012) Robert B. Best et al.   Journal of Chemical Theory and Computation

Contribution of SDF-1a/CXCR4 Signaling to Brain Development and Glioma Progression

(2012) Zheng Jiang et al.   NEUROSIGNALS

Drug Discovery Research Targeting the CXC Chemokine Receptor 4 (CXCR4)

(2011) Won-Tak Choi et al.   JOURNAL OF MEDICINAL CHEMISTRY

Targeting chemokine receptors in chronic inflammatory diseases: An extensive review

(2011) Pim J. Koelink et al.   PHARMACOLOGY & THERAPEUTICS

Structures of the CXCR4 Chemokine GPCR with Small-Molecule and Cyclic Peptide Antagonists

(2010) B. Wu et al.   SCIENCE

Structural Basis of the Interaction between Chemokine Stromal Cell-derived Factor-1/CXCL12 and Its G-protein-coupled Receptor CXCR4

(2009) Yutaka Kofuku et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Sequential Tyrosine Sulfation of CXCR4 by Tyrosylprotein Sulfotransferases†

(2008) Christoph Seibert et al.   BIOCHEMISTRY

CHARMM-GUI: A web-based graphical user interface for CHARMM

(2008) Sunhwan Jo et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Comparison of the Potential Multiple Binding Modes of Bicyclam, Monocylam, and Noncyclam Small-Molecule CXC Chemokine Receptor 4 Inhibitors

(2008) R. S. Y. Wong et al.   MOLECULAR PHARMACOLOGY

Structural Basis of CXCR4 Sulfotyrosine Recognition by the Chemokine SDF-1/CXCL12

(2008) C. T. Veldkamp et al.   Science Signaling