Allosteric Model of Maraviroc Binding to CC Chemokine Receptor 5 (CCR5)*
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E. Kellenberger | D. Rognan | F. Arenzana‐Seisdedos | J. Alcamí | J. García-Pérez | B. Lagane | P. Rueda
[1] M. Parmentier,et al. Genetics of resistance to HIV infection: Role of co-receptors and co-receptor ligands. , 2006, Seminars in immunology.
[2] Ajay N. Jain. Surflex-Dock 2.1: Robust performance from ligand energetic modeling, ring flexibility, and knowledge-based search , 2007, J. Comput. Aided Mol. Des..
[3] William C. Olson,et al. Differential Inhibition of Human Immunodeficiency Virus Type 1 Fusion, gp120 Binding, and CC-Chemokine Activity by Monoclonal Antibodies to CCR5 , 1999, Journal of Virology.
[4] Michel Bouvier,et al. Constitutive Agonist-independent CCR5 Oligomerization and Antibody-mediated Clustering Occurring at Physiological Levels of Receptors* 210 , 2002, The Journal of Biological Chemistry.
[5] S. O. Smith,et al. A binding pocket for a small molecule inhibitor of HIV-1 entry within the transmembrane helices of CCR5. , 2000, Proceedings of the National Academy of Sciences of the United States of America.
[6] Emmanuel G. Cormier,et al. The Crown and Stem of the V3 Loop Play Distinct Roles in Human Immunodeficiency Virus Type 1 Envelope Glycoprotein Interactions with the CCR5 Coreceptor , 2002, Journal of Virology.
[7] M. Parmentier,et al. Allosteric Modulation of Binding Properties between Units of Chemokine Receptor Homo- and Hetero-Oligomers , 2006, Molecular Pharmacology.
[8] K. Berka,et al. Ligand binding to the human MT2 melatonin receptor: the role of residues in transmembrane domains 3, 6, and 7. , 2005, Biochemical and biophysical research communications.
[9] H. Mitsuya,et al. Spirodiketopiperazine-Based CCR5 Inhibitor Which Preserves CC-Chemokine/CCR5 Interactions and Exerts Potent Activity against R5 Human Immunodeficiency Virus Type 1 In Vitro , 2004, Journal of Virology.
[10] Peter D. Kwong,et al. Structures of the CCR5 N Terminus and of a Tyrosine-Sulfated Antibody with HIV-1 gp120 and CD4 , 2007, Science.
[11] Didier Rognan,et al. High-Throughput Modeling of Human G-Protein Coupled Receptors: Amino Acid Sequence Alignment, Three-Dimensional Model Building, and Receptor Library Screening , 2004, J. Chem. Inf. Model..
[12] Jun Zhang,et al. Molecular Interactions of CCR5 with Major Classes of Small-Molecule Anti-HIV CCR5 Antagonists , 2008, Molecular Pharmacology.
[13] Esther Kellenberger,et al. New Insights into the Mechanisms whereby Low Molecular Weight CCR5 Ligands Inhibit HIV-1 Infection* , 2010, The Journal of Biological Chemistry.
[14] J. Thornton,et al. AQUA and PROCHECK-NMR: Programs for checking the quality of protein structures solved by NMR , 1996, Journal of biomolecular NMR.
[15] A. Trkola,et al. Potent, Broad-Spectrum Inhibition of Human Immunodeficiency Virus Type 1 by the CCR5 Monoclonal Antibody PRO 140 , 2001, Journal of Virology.
[16] E. Kellenberger,et al. Identification of nonpeptide CCR5 receptor agonists by structure-based virtual screening. , 2007, Journal of medicinal chemistry.
[17] J. Wess,et al. Site-directed Mutagenesis Identifies Residues Involved in Ligand Recognition in the Human A2a Adenosine Receptor (*) , 1995, The Journal of Biological Chemistry.
[18] Elizabeth E Howell,et al. A survey of aspartate-phenylalanine and glutamate-phenylalanine interactions in the protein data bank: searching for anion-π pairs. , 2011, Biochemistry.
[19] Jun Zhang,et al. The Second Extracellular Loop of CCR5 Contains the Dominant Epitopes for Highly Potent Anti-Human Immunodeficiency Virus Monoclonal Antibodies , 2007, Antimicrobial Agents and Chemotherapy.
[20] Thomas P. Sakmar,et al. Analysis of the Mechanism by Which the Small-Molecule CCR5 Antagonists SCH-351125 and SCH-350581 Inhibit Human Immunodeficiency Virus Type 1 Entry , 2003, Journal of Virology.
[21] G Vassart,et al. Extracellular Cysteines of CCR5 Are Required for Chemokine Binding, but Dispensable for HIV-1 Coreceptor Activity* , 1999, The Journal of Biological Chemistry.
[22] M. Mack,et al. Aminooxypentane-RANTES Induces CCR5 Internalization but Inhibits Recycling: A Novel Inhibitory Mechanism of HIV Infectivity , 1998, The Journal of experimental medicine.
[23] Bryan R. Cullen,et al. Multiple Residues Contribute to the Inability of Murine CCR-5 To Function as a Coreceptor for Macrophage-Tropic Human Immunodeficiency Virus Type 1 Isolates , 1998, Journal of Virology.
[24] D. Schols,et al. HIV-1 entry inhibition by small-molecule CCR5 antagonists: a combined molecular modeling and mutant study using a high-throughput assay. , 2011, Virology.
[25] T. Kenakin,et al. The CCR5 Receptor-Based Mechanism of Action of 873140, a Potent Allosteric Noncompetitive HIV Entry Inhibitor , 2005, Molecular Pharmacology.
[26] Shoshana J. Wodak,et al. The TXP Motif in the Second Transmembrane Helix of CCR5 , 2001, The Journal of Biological Chemistry.
[27] Richard D. Taylor,et al. Improved protein–ligand docking using GOLD , 2003, Proteins.
[28] Benjamin A. Ellingson,et al. Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database , 2010, J. Chem. Inf. Model..
[29] N. Ray. Maraviroc in the treatment of HIV infection , 2008, Drug design, development and therapy.
[30] Gerd Krause,et al. Signaling‐sensitive amino acids surround the allosteric ligand binding site of the thyrotropin receptor , 2010, FASEB journal : official publication of the Federation of American Societies for Experimental Biology.
[31] Shoshana J. Wodak,et al. Activation of CCR5 by Chemokines Involves an Aromatic Cluster between Transmembrane Helices 2 and 3* , 2003, The Journal of Biological Chemistry.
[32] Anthony Wood,et al. The discovery of the CCR5 receptor antagonist, UK-427,857, a new agent for the treatment of HIV infection and AIDS. , 2005, Progress in medicinal chemistry.
[33] Daniah A. D. Thompson,et al. CCR5 and CXCR4 Usage by Non-Clade B Human Immunodeficiency Virus Type 1 Primary Isolates , 2002, Journal of Virology.
[34] M. Parmentier,et al. G Protein-Dependent CCR5 Signaling Is Not Required for Efficient Infection of Primary T Lymphocytes and Macrophages by R5 Human Immunodeficiency Virus Type 1 Isolates , 2003, Journal of Virology.
[35] R. Abagyan,et al. Structures of the CXCR4 Chemokine GPCR with Small-Molecule and Cyclic Peptide Antagonists , 2010, Science.
[36] R. Offord,et al. Highly potent, fully recombinant anti-HIV chemokines: Reengineering a low-cost microbicide , 2008, Proceedings of the National Academy of Sciences.
[37] Marc Parmentier,et al. The Core Domain of Chemokines Binds CCR5 Extracellular Domains while Their Amino Terminus Interacts with the Transmembrane Helix Bundle* , 2003, The Journal of Biological Chemistry.
[38] David W. Ritchie,et al. Clustering and Classifying Diverse HIV Entry Inhibitors Using a Novel Consensus Shape-Based Virtual Screening Approach: Further Evidence for Multiple Binding Sites within the CCR5 Extracellular Pocket , 2008, J. Chem. Inf. Model..
[39] Yasushi Tojo,et al. Structural and Molecular Interactions of CCR5 Inhibitors with CCR5* , 2006, Journal of Biological Chemistry.
[40] Didier Rognan,et al. Customizing G Protein-coupled receptor models for structure-based virtual screening. , 2009, Current pharmaceutical design.
[41] Gilles Marcou,et al. Optimizing Fragment and Scaffold Docking by Use of Molecular Interaction Fingerprints , 2007, J. Chem. Inf. Model..
[42] Thomas Lengauer,et al. A fast flexible docking method using an incremental construction algorithm. , 1996, Journal of molecular biology.
[43] H. Mitsuya,et al. Involvement of the second extracellular loop and transmembrane residues of CCR5 in inhibitor binding and HIV-1 fusion: insights into the mechanism of allosteric inhibition. , 2008, Journal of molecular biology.
[44] Thomas Stützle,et al. Empirical Scoring Functions for Advanced Protein-Ligand Docking with PLANTS , 2009, J. Chem. Inf. Model..
[45] C. Broder,et al. CC CKR5: A RANTES, MIP-1α, MIP-1ॆ Receptor as a Fusion Cofactor for Macrophage-Tropic HIV-1 , 1996, Science.
[46] David A. Price,et al. Maraviroc (UK-427,857), a Potent, Orally Bioavailable, and Selective Small-Molecule Inhibitor of Chemokine Receptor CCR5 with Broad-Spectrum Anti-Human Immunodeficiency Virus Type 1 Activity , 2005, Antimicrobial Agents and Chemotherapy.
[47] T. Kenakin,et al. The Relative Activity of “Function Sparing” HIV-1 Entry Inhibitors on Viral Entry and CCR5 Internalization: Is Allosteric Functional Selectivity a Valuable Therapeutic Property? , 2009, Molecular Pharmacology.
[48] T. Dragic,et al. An anti-CCR5 monoclonal antibody and small molecule CCR5 antagonists synergize by inhibiting different stages of human immunodeficiency virus type 1 entry. , 2006, Virology.