VSEVOLOD KATRITCH

Summary

Affiliation: The Scripps Research Institute
Country: USA

Publications

  1. ncbi request reprint Allosteric sodium in class A GPCR signaling
    VSEVOLOD KATRITCH
    Department of Integrative Structural and Computational Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, CA 92037, USA Electronic address
    Trends Biochem Sci 39:233-44. 2014
  2. pmc GPCR agonist binding revealed by modeling and crystallography
    VSEVOLOD KATRITCH
    Skaggs School of Pharmacy and Pharmaceutical Sciences and San Diego Supercomputer Center, University of California, San Diego, La Jolla, CA 92093, USA
    Trends Pharmacol Sci 32:637-43. 2011
  3. pmc Analysis of full and partial agonists binding to beta2-adrenergic receptor suggests a role of transmembrane helix V in agonist-specific conformational changes
    VSEVOLOD KATRITCH
    Department of Molecular Biology, The Scripps Research Institute, La Jolla, CA 92037, USA
    J Mol Recognit 22:307-18. 2009
  4. pmc Structural basis for allosteric regulation of GPCRs by sodium ions
    Wei Liu
    Department of Molecular Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, CA 92037, USA
    Science 337:232-6. 2012
  5. pmc Structure-based ligand discovery targeting orthosteric and allosteric pockets of dopamine receptors
    J Robert Lane
    Department of Integrative Structural and Computational Biology, Scripps Research Institute, La Jolla, California P C, W L, V C, R C S, V K Drug Discovery Biology, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, Victoria, Australia J R L, M C and Skaggs School of Pharmacy and Pharmaceutical Sciences, and San Diego Supercomputer Center, University of California, San Diego, La Jolla, California R A
    Mol Pharmacol 84:794-807. 2013
  6. pmc Structure of the human smoothened receptor bound to an antitumour agent
    Chong Wang
    Department of Integrative Structural and Computational Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, California 92037, USA
    Nature 497:338-43. 2013
  7. pmc Molecular control of δ-opioid receptor signalling
    Gustavo Fenalti
    1 Department of Integrative Structural and Computational Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, California 92037, USA 2
    Nature 506:191-6. 2014
  8. pmc Structural features for functional selectivity at serotonin receptors
    Daniel Wacker
    Department of Integrative Structural and Computational Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, CA 92037, USA
    Science 340:615-9. 2013
  9. pmc Structural basis for molecular recognition at serotonin receptors
    Chong Wang
    Department of Integrative Structural and Computational Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, CA 92037, USA
    Science 340:610-4. 2013
  10. pmc Structure of a class C GPCR metabotropic glutamate receptor 1 bound to an allosteric modulator
    Huixian Wu
    Department of Integrative Structural and Computational Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, CA 92037, USA
    Science 344:58-64. 2014

Collaborators

Detail Information

Publications37

  1. ncbi request reprint Allosteric sodium in class A GPCR signaling
    VSEVOLOD KATRITCH
    Department of Integrative Structural and Computational Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, CA 92037, USA Electronic address
    Trends Biochem Sci 39:233-44. 2014
    ..New insights help to explain allosteric effects of sodium on GPCR agonist binding and activation, and sodium's role as a potential co-factor in class A GPCR function. ..
  2. pmc GPCR agonist binding revealed by modeling and crystallography
    VSEVOLOD KATRITCH
    Skaggs School of Pharmacy and Pharmaceutical Sciences and San Diego Supercomputer Center, University of California, San Diego, La Jolla, CA 92093, USA
    Trends Pharmacol Sci 32:637-43. 2011
    ..Development of accurate models of agonist binding for other GPCRs will be instrumental for functional and pharmacological studies, complementing biochemical and crystallographic techniques...
  3. pmc Analysis of full and partial agonists binding to beta2-adrenergic receptor suggests a role of transmembrane helix V in agonist-specific conformational changes
    VSEVOLOD KATRITCH
    Department of Molecular Biology, The Scripps Research Institute, La Jolla, CA 92037, USA
    J Mol Recognit 22:307-18. 2009
    ....
  4. pmc Structural basis for allosteric regulation of GPCRs by sodium ions
    Wei Liu
    Department of Molecular Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, CA 92037, USA
    Science 337:232-6. 2012
    ..These high-resolution details shed light on the potential role of structured water molecules, sodium ions, and lipids/cholesterol in GPCR stabilization and function...
  5. pmc Structure-based ligand discovery targeting orthosteric and allosteric pockets of dopamine receptors
    J Robert Lane
    Department of Integrative Structural and Computational Biology, Scripps Research Institute, La Jolla, California P C, W L, V C, R C S, V K Drug Discovery Biology, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, Victoria, Australia J R L, M C and Skaggs School of Pharmacy and Pharmaceutical Sciences, and San Diego Supercomputer Center, University of California, San Diego, La Jolla, California R A
    Mol Pharmacol 84:794-807. 2013
    ..The high affinity and ligand efficiency of the chemically diverse hits identified in this study suggest utility of structure-based screening targeting allosteric sites of GPCRs...
  6. pmc Structure of the human smoothened receptor bound to an antitumour agent
    Chong Wang
    Department of Integrative Structural and Computational Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, California 92037, USA
    Nature 497:338-43. 2013
    ..The ligand binds at the extracellular end of the seven-transmembrane-helix bundle and forms extensive contacts with the loops...
  7. pmc Molecular control of δ-opioid receptor signalling
    Gustavo Fenalti
    1 Department of Integrative Structural and Computational Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, California 92037, USA 2
    Nature 506:191-6. 2014
    ..The data establish the molecular basis for allosteric sodium ion control in opioid signalling, revealing that sodium-coordinating residues act as 'efficacy switches' at a prototypic G-protein-coupled receptor. ..
  8. pmc Structural features for functional selectivity at serotonin receptors
    Daniel Wacker
    Department of Integrative Structural and Computational Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, CA 92037, USA
    Science 340:615-9. 2013
    ..Given the relatively poor understanding of GPCR structure and function to date, insight into different GPCR signaling pathways is important to better understand both adverse and favorable therapeutic activities...
  9. pmc Structural basis for molecular recognition at serotonin receptors
    Chong Wang
    Department of Integrative Structural and Computational Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, CA 92037, USA
    Science 340:610-4. 2013
    ..Together with docking and mutagenesis studies, these structures provide a comprehensive structural basis for understanding receptor-ligand interactions and designing subtype-selective serotonergic drugs...
  10. pmc Structure of a class C GPCR metabotropic glutamate receptor 1 bound to an allosteric modulator
    Huixian Wu
    Department of Integrative Structural and Computational Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, CA 92037, USA
    Science 344:58-64. 2014
    ..A combination of crystallography, structure-activity relationships, mutagenesis, and full-length dimer modeling provides insights about the allosteric modulation and activation mechanism of class C GPCRs. ..
  11. pmc Structure of an agonist-bound human A2A adenosine receptor
    Fei Xu
    Department of Molecular Biology, Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, CA 92037, USA
    Science 332:322-7. 2011
    ..The results define the molecule UK-432097 as a "conformationally selective agonist" capable of receptor stabilization in a specific active-state configuration...
  12. pmc Structure of the nociceptin/orphanin FQ receptor in complex with a peptide mimetic
    Aaron A Thompson
    Department of Molecular Biology, The Scripps Research Institute, La Jolla, California 92037, USA
    Nature 485:395-9. 2012
    ..The NOP-compound-24 structure explains the divergent selectivity profile of NOP and provides a new structural template for the design of NOP ligands...
  13. pmc Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment
    Irina Kufareva
    Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA 92039, USA
    Structure 19:1108-26. 2011
    ..The assessment results provide guidance for modeling and crystallographic communities in method development and target selection for further expansion of the structural coverage of the GPCR universe...
  14. pmc Structure of the human dopamine D3 receptor in complex with a D2/D3 selective antagonist
    Ellen Y T Chien
    Department of Molecular Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, CA 92037, USA
    Science 330:1091-5. 2010
    ..This difference provides direction to the design of D3R-selective agents for treating drug abuse and other neuropsychiatric indications...
  15. pmc Ligand binding and subtype selectivity of the human A(2A) adenosine receptor: identification and characterization of essential amino acid residues
    Veli Pekka Jaakola
    Department of Molecular Biology, Scripps Research Institute, La Jolla, California 92037, USA
    J Biol Chem 285:13032-44. 2010
    ....
  16. doi request reprint Ligand-guided receptor optimization
    VSEVOLOD KATRITCH
    Department of Molecular Biology, The Scripps Research Institute, La Jolla, CA, USA
    Methods Mol Biol 857:189-205. 2012
    ....
  17. pmc Ligand-dependent perturbation of the conformational ensemble for the GPCR β2 adrenergic receptor revealed by HDX
    Graham M West
    Department of Molecular Therapeutics, The Scripps Research Institute, Scripps Florida, Jupiter, FL 33458, USA
    Structure 19:1424-32. 2011
    ....
  18. pmc Conserved binding mode of human beta2 adrenergic receptor inverse agonists and antagonist revealed by X-ray crystallography
    Daniel Wacker
    Department of Molecular Biology, The Scripps Research Institute, La Jolla, California 92037, USA
    J Am Chem Soc 132:11443-5. 2010
    ....
  19. pmc Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists
    VSEVOLOD KATRITCH
    Department of Molecular Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, California 92037, USA
    J Med Chem 53:1799-809. 2010
    ..High success rate, novelty, and diversity of the chemical scaffolds and strong ligand efficiency of the A(2A)AR antagonists identified in this study suggest practical applicability of receptor-based VLS in GPCR drug discovery...
  20. pmc Fusion partner toolchest for the stabilization and crystallization of G protein-coupled receptors
    Eugene Chun
    Department of Molecular Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, CA 92037, USA
    Structure 20:967-76. 2012
    ....
  21. pmc Biased signaling pathways in β2-adrenergic receptor characterized by 19F-NMR
    Jeffrey J Liu
    Department of Molecular Biology, The Scripps Research Institute, La Jolla, CA 92037, USA
    Science 335:1106-10. 2012
    ..The selective effects of different ligands on the conformational equilibria involving helices VI and VII provide insights into the long-range structural plasticity of β(2)AR in partial and biased agonist signaling...
  22. pmc GPCR 3D homology models for ligand screening: lessons learned from blind predictions of adenosine A2a receptor complex
    VSEVOLOD KATRITCH
    Molsoft LLC, 3366 N Torrey Pines Court, La Jolla, California 92037, USA
    Proteins 78:197-211. 2010
    ..These results suggest that despite certain inaccuracies, the optimized homology models can be useful in the drug discovery process...
  23. pmc The GPCR Network: a large-scale collaboration to determine human GPCR structure and function
    Raymond C Stevens
    Department of Molecular Biology, The Scripps Research Institute, La Jolla, California 92037, USA
    Nat Rev Drug Discov 12:25-34. 2013
    ....
  24. pmc Structure-function of the G protein-coupled receptor superfamily
    VSEVOLOD KATRITCH
    Department of Molecular Biology, The Scripps Research Institute, La Jolla, California 92037, USA
    Annu Rev Pharmacol Toxicol 53:531-56. 2013
    ....
  25. pmc Structure of the human glucagon class B G-protein-coupled receptor
    FAI YIU SIU
    Department of Integrative Structural and Computational Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, California 92037, USA
    Nature 499:444-9. 2013
    ....
  26. pmc Structure of the human κ-opioid receptor in complex with JDTic
    Huixian Wu
    Department of Molecular Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, California 92037, USA
    Nature 485:327-32. 2012
    ....
  27. pmc Structure based prediction of subtype-selectivity for adenosine receptor antagonists
    VSEVOLOD KATRITCH
    University of California, San Diego Skaggs School of Pharmacy and Pharmaceutical Sciences, 9500 Gilman Drive, MC 0747, La Jolla, CA 92093, USA
    Neuropharmacology 60:108-15. 2011
    ..Analysis of the subtype-specific ligand-receptor interactions allowed identification of the major determinants of ligand selectivity, which may facilitate discovery of more efficient drug candidates...
  28. ncbi request reprint Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs
    Chong Wang
    Department of Integrative Structural and Computational Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, California 92037, USA
    Nat Commun 5:4355. 2014
    ..The agonist SAG1.5 induces a conformational rearrangement of the binding pocket residues, which could contribute to SMO activation. Collectively, these studies reveal the structural basis for the modulation of SMO by small molecules. ..
  29. pmc Identifying conformational changes of the beta(2) adrenoceptor that enable accurate prediction of ligand/receptor interactions and screening for GPCR modulators
    Kimberly A Reynolds
    Department of Molecular Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, CA 92037, USA
    J Comput Aided Mol Des 23:273-88. 2009
    ..A general strategy for constructing and selecting agonist-bound receptor pocket conformations is presented, which may prove broadly useful in creating agonist and antagonist bound models for other GPCRs...
  30. pmc Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists
    Beili Wu
    Department of Molecular Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, CA 92037, USA
    Science 330:1066-71. 2010
    ..These structures provide new clues about the interactions between CXCR4 and its natural ligand CXCL12, and with the HIV-1 glycoprotein gp120...
  31. pmc The role of a sodium ion binding site in the allosteric modulation of the A(2A) adenosine G protein-coupled receptor
    Hugo Gutiérrez-de-Terán
    Fundacion Publica Galega de Medicina Xenomica, Hospital Clinico Universitario de Santiago, E 15706 Santiago de Compostela, Spain Department of Integrative Structural and Computational Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, CA 92037, USA Department of Cell and Molecular Biology, Uppsala University, Biomedical Center, Box 596, SE 751 24 Uppsala, Sweden
    Structure 21:2175-85. 2013
    ....
  32. pmc Serial femtosecond crystallography of G protein-coupled receptors
    Wei Liu
    Department of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, CA 92037, USA
    Science 342:1521-4. 2013
    ....
  33. pmc Diversity and modularity of G protein-coupled receptor structures
    VSEVOLOD KATRITCH
    Department of Molecular Biology, The Scripps Research Institute, La Jolla, CA 92037, USA
    Trends Pharmacol Sci 33:17-27. 2012
    ....
  34. pmc SimiCon: a web tool for protein-ligand model comparison through calculation of equivalent atomic contacts
    Manuel Rueda
    UCSD Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA 92093, USA
    Bioinformatics 26:2784-5. 2010
    ..The web server can be executed remotely without a browser to allow users to automate multiple calculations...
  35. ncbi request reprint Advances in GPCR Modeling Evaluated by the GPCR Dock 2013 Assessment: Meeting New Challenges
    Irina Kufareva
    Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, 92039, USA
    Structure 22:1120-39. 2014
    ..Predictions of long loops and GPCR activation states remain unsolved problems. ..
  36. pmc Genetically encoded chemical probes in cells reveal the binding path of urocortin-I to CRF class B GPCR
    Irene Coin
    Jack H Skirball Center for Chemical Biology and Proteomics, The Salk Institute for Biological Studies, La Jolla, CA 92037, USA
    Cell 155:1258-69. 2013
    ..Structural features of the receptor-ligand complex yield molecular insights on the mechanism of receptor activation and the basis for discrimination between agonist and antagonist function...
  37. pmc High resolution structure of the ba3 cytochrome c oxidase from Thermus thermophilus in a lipidic environment
    Theresa Tiefenbrunn
    Department of Molecular Biology, The Scripps Research Institute, La Jolla, California, United States of America
    PLoS ONE 6:e22348. 2011
    ..The development of a robust system for production of ba(3)-oxidase crystals diffracting to high resolution, together with an established expression system for generating mutants, opens the door for systematic structure-function studies...