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Crystal structure of a lipid G protein-coupled receptor.

Hanson MA, Roth CB, Jo E, Griffith MT, Scott FL, Reinhart G, Desale H, Clemons B, Cahalan SM, Schuerer SC, Sanna MG, Han GW, Kuhn P, Rosen H, Stevens RC
Science 335 851-5 (2012)
Cited: 438 times
EuropePMC logo PMID: 22344443

Abstract

The lyso-phospholipid sphingosine 1-phosphate modulates lymphocyte trafficking, endothelial development and integrity, heart rate, and vascular tone and maturation by activating G protein-coupled sphingosine 1-phosphate receptors. Here, we present the crystal structure of the sphingosine 1-phosphate receptor 1 fused to T4-lysozyme (S1P(1)-T4L) in complex with an antagonist sphingolipid mimic. Extracellular access to the binding pocket is occluded by the amino terminus and extracellular loops of the receptor. Access is gained by ligands entering laterally between helices I and VII within the transmembrane region of the receptor. This structure, along with mutagenesis, agonist structure-activity relationship data, and modeling, provides a detailed view of the molecular recognition and requirement for hydrophobic volume that activates S1P(1), resulting in the modulation of immune and stromal cell responses.

Reviews - 3v2y mentioned but not cited (23)

  1. Generic GPCR residue numbers - aligning topology maps while minding the gaps. Isberg V, de Graaf C, Bortolato A, Cherezov V, Katritch V, Marshall FH, Mordalski S, Pin JP, Stevens RC, Vriend G, Gloriam DE. Trends Pharmacol Sci 36 22-31 (2015)
  2. Molecular Targets of the Phytocannabinoids: A Complex Picture. Morales P, Hurst DP, Reggio PH. Prog Chem Org Nat Prod 103 103-131 (2017)
  3. The GPCR Network: a large-scale collaboration to determine human GPCR structure and function. Stevens RC, Cherezov V, Katritch V, Abagyan R, Kuhn P, Rosen H, Wüthrich K. Nat Rev Drug Discov 12 25-34 (2013)
  4. G protein-coupled receptors: structure- and function-based drug discovery. Yang D, Zhou Q, Labroska V, Qin S, Darbalaei S, Wu Y, Yuliantie E, Xie L, Tao H, Cheng J, Liu Q, Zhao S, Shui W, Jiang Y, Wang MW. Signal Transduct Target Ther 6 7 (2021)
  5. A comprehensive review of the lipid cubic phase or in meso method for crystallizing membrane and soluble proteins and complexes. Caffrey M. Acta Crystallogr F Struct Biol Commun 71 3-18 (2015)
  6. New insights for drug design from the X-ray crystallographic structures of G-protein-coupled receptors. Jacobson KA, Costanzi S. Mol Pharmacol 82 361-371 (2012)
  7. Structural Studies of G Protein-Coupled Receptors. Zhang D, Zhao Q, Wu B. Mol Cells 38 836-842 (2015)
  8. G Protein-Coupled Receptors (GPCRs) in Alzheimer's Disease: A Focus on BACE1 Related GPCRs. Zhao J, Deng Y, Jiang Z, Qing H. Front Aging Neurosci 8 58 (2016)
  9. Opioid receptors: Structural and mechanistic insights into pharmacology and signaling. Shang Y, Filizola M. Eur J Pharmacol 763 206-213 (2015)
  10. Identifying ligands at orphan GPCRs: current status using structure-based approaches. Ngo T, Kufareva I, Coleman JLj, Graham RM, Abagyan R, Smith NJ. Br J Pharmacol 173 2934-2951 (2016)
  11. Insights into the molecular evolution of oxytocin receptor ligand binding. Koehbach J, Stockner T, Bergmayr C, Muttenthaler M, Gruber CW. Biochem Soc Trans 41 197-204 (2013)
  12. Emerging structural biology of lipid G protein-coupled receptors. Audet M, Stevens RC. Protein Sci 28 292-304 (2019)
  13. Structural insights into ligand recognition and selectivity for classes A, B, and C GPCRs. Lee SM, Booe JM, Pioszak AA. Eur J Pharmacol 763 196-205 (2015)
  14. Does the Lipid Bilayer Orchestrate Access and Binding of Ligands to Transmembrane Orthosteric/Allosteric Sites of G Protein-Coupled Receptors? Szlenk CT, Gc JB, Natesan S. Mol Pharmacol 96 527-541 (2019)
  15. 'Crystal' Clear? Lysophospholipid Receptor Structure Insights and Controversies. Blaho VA, Chun J. Trends Pharmacol Sci 39 953-966 (2018)
  16. Sphingosine-1-phosphate metabolism: A structural perspective. Pulkoski-Gross MJ, Donaldson JC, Obeid LM. Crit Rev Biochem Mol Biol 50 298-313 (2015)
  17. Allosteric communication regulates ligand-specific GPCR activity. Ma N, Nivedha AK, Vaidehi N. FEBS J 288 2502-2512 (2021)
  18. Integrating the puzzle pieces: the current atomistic picture of phospholipid-G protein coupled receptor interactions. Parrill AL, Tigyi G. Biochim Biophys Acta 1831 2-12 (2013)
  19. Modeling of mammalian olfactory receptors and docking of odorants. Launay G, Sanz G, Pajot-Augy E, Gibrat JF. Biophys Rev 4 255-269 (2012)
  20. G protein-coupled receptors in neurodegenerative diseases and psychiatric disorders. Wong TS, Li G, Li S, Gao W, Chen G, Gan S, Zhang M, Li H, Wu S, Du Y. Signal Transduct Target Ther 8 177 (2023)
  21. Recent Advances in Structure, Function, and Pharmacology of Class A Lipid GPCRs: Opportunities and Challenges for Drug Discovery. Krishna Deepak RNV, Verma RK, Hartono YD, Yew WS, Fan H. Pharmaceuticals (Basel) 15 12 (2021)
  22. Molecular and neuroimmune pharmacology of S1P receptor modulators and other disease-modifying therapies for multiple sclerosis. Kihara Y, Chun J. Pharmacol Ther 246 108432 (2023)
  23. Medicinal Chemistry Strategies for the Modification of Bioactive Natural Products. Ding Y, Xue X. Molecules 29 689 (2024)

Articles - 3v2y mentioned but not cited (85)

  1. Crystal Structure of the Human Cannabinoid Receptor CB1. Hua T, Vemuri K, Pu M, Qu L, Han GW, Wu Y, Zhao S, Shui W, Li S, Korde A, Laprairie RB, Stahl EL, Ho JH, Zvonok N, Zhou H, Kufareva I, Wu B, Zhao Q, Hanson MA, Bohn LM, Makriyannis A, Stevens RC, Liu ZJ. Cell 167 750-762.e14 (2016)
  2. Protein-Ligand Scoring with Convolutional Neural Networks. Ragoza M, Hochuli J, Idrobo E, Sunseri J, Koes DR. J Chem Inf Model 57 942-957 (2017)
  3. High-resolution crystal structure of the human CB1 cannabinoid receptor. Shao Z, Yin J, Chapman K, Grzemska M, Clark L, Wang J, Rosenbaum DM. Nature 540 602-606 (2016)
  4. Diverse activation pathways in class A GPCRs converge near the G-protein-coupling region. Venkatakrishnan AJ, Deupi X, Lebon G, Heydenreich FM, Flock T, Miljus T, Balaji S, Bouvier M, Veprintsev DB, Tate CG, Schertler GF, Babu MM. Nature 536 484-487 (2016)
  5. Crystal structures of the human adiponectin receptors. Tanabe H, Fujii Y, Okada-Iwabu M, Iwabu M, Nakamura Y, Hosaka T, Motoyama K, Ikeda M, Wakiyama M, Terada T, Ohsawa N, Hato M, Ogasawara S, Hino T, Murata T, Iwata S, Hirata K, Kawano Y, Yamamoto M, Kimura-Someya T, Shirouzu M, Yamauchi T, Kadowaki T, Yokoyama S. Nature 520 312-316 (2015)
  6. A new era of GPCR structural and chemical biology. Granier S, Kobilka B. Nat Chem Biol 8 670-673 (2012)
  7. Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1. Chrencik JE, Roth CB, Terakado M, Kurata H, Omi R, Kihara Y, Warshaviak D, Nakade S, Asmar-Rovira G, Mileni M, Mizuno H, Griffith MT, Rodgers C, Han GW, Velasquez J, Chun J, Stevens RC, Hanson MA. Cell 161 1633-1643 (2015)
  8. Discovery of Human Signaling Systems: Pairing Peptides to G Protein-Coupled Receptors. Foster SR, Hauser AS, Vedel L, Strachan RT, Huang XP, Gavin AC, Shah SD, Nayak AP, Haugaard-Kedström LM, Penn RB, Roth BL, Bräuner-Osborne H, Gloriam DE. Cell 179 895-908.e21 (2019)
  9. Discovery of BAF312 (Siponimod), a Potent and Selective S1P Receptor Modulator. Pan S, Gray NS, Gao W, Mi Y, Fan Y, Wang X, Tuntland T, Che J, Lefebvre S, Chen Y, Chu A, Hinterding K, Gardin A, End P, Heining P, Bruns C, Cooke NG, Nuesslein-Hildesheim B. ACS Med Chem Lett 4 333-337 (2013)
  10. GPCRDB: an information system for G protein-coupled receptors. Isberg V, Vroling B, van der Kant R, Li K, Vriend G, Gloriam D. Nucleic Acids Res 42 D422-5 (2014)
  11. Membrane protein structure determination using crystallography and lipidic mesophases: recent advances and successes. Caffrey M, Li D, Dukkipati A. Biochemistry 51 6266-6288 (2012)
  12. Intracellular sphingosine kinase 2-derived sphingosine-1-phosphate mediates epidermal growth factor-induced ezrin-radixin-moesin phosphorylation and cancer cell invasion. Adada MM, Canals D, Jeong N, Kelkar AD, Hernandez-Corbacho M, Pulkoski-Gross MJ, Donaldson JC, Hannun YA, Obeid LM. FASEB J 29 4654-4669 (2015)
  13. GOMoDo: A GPCRs online modeling and docking webserver. Sandal M, Duy TP, Cona M, Zung H, Carloni P, Musiani F, Giorgetti A. PLoS One 8 e74092 (2013)
  14. The pathway of ligand entry from the membrane bilayer to a lipid G protein-coupled receptor. Stanley N, Pardo L, Fabritiis GD. Sci Rep 6 22639 (2016)
  15. Structure of human GABAB receptor in an inactive state. Park J, Fu Z, Frangaj A, Liu J, Mosyak L, Shen T, Slavkovich VN, Ray KM, Taura J, Cao B, Geng Y, Zuo H, Kou Y, Grassucci R, Chen S, Liu Z, Lin X, Williams JP, Rice WJ, Eng ET, Huang RK, Soni RK, Kloss B, Yu Z, Javitch JA, Hendrickson WA, Slesinger PA, Quick M, Graziano J, Yu H, Fiehn O, Clarke OB, Frank J, Fan QR. Nature 584 304-309 (2020)
  16. Structure-based mechanism of cysteinyl leukotriene receptor inhibition by antiasthmatic drugs. Luginina A, Gusach A, Marin E, Mishin A, Brouillette R, Popov P, Shiriaeva A, Besserer-Offroy É, Longpré JM, Lyapina E, Ishchenko A, Patel N, Polovinkin V, Safronova N, Bogorodskiy A, Edelweiss E, Hu H, Weierstall U, Liu W, Batyuk A, Gordeliy V, Han GW, Sarret P, Katritch V, Borshchevskiy V, Cherezov V. Sci Adv 5 eaax2518 (2019)
  17. G protein-coupled receptors: the evolution of structural insight. Gacasan SB, Baker DL, Parrill AL. AIMS Biophys 4 491-527 (2017)
  18. Molecular characterization of oxysterol binding to the Epstein-Barr virus-induced gene 2 (GPR183). Benned-Jensen T, Norn C, Laurent S, Madsen CM, Larsen HM, Arfelt KN, Wolf RM, Frimurer T, Sailer AW, Rosenkilde MM. J Biol Chem 287 35470-35483 (2012)
  19. Structure of an antagonist-bound ghrelin receptor reveals possible ghrelin recognition mode. Shiimura Y, Horita S, Hamamoto A, Asada H, Hirata K, Tanaka M, Mori K, Uemura T, Kobayashi T, Iwata S, Kojima M. Nat Commun 11 4160 (2020)
  20. Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition. Yuan Y, Jia G, Wu C, Wang W, Cheng L, Li Q, Li Z, Luo K, Yang S, Yan W, Su Z, Shao Z. Cell Res 31 1263-1274 (2021)
  21. β2-Adrenergic Receptor Conformational Response to Fusion Protein in the Third Intracellular Loop. Eddy MT, Didenko T, Stevens RC, Wüthrich K. Structure 24 2190-2197 (2016)
  22. Sequence, structure and ligand binding evolution of rhodopsin-like G protein-coupled receptors: a crystal structure-based phylogenetic analysis. Wolf S, Grünewald S. PLoS One 10 e0123533 (2015)
  23. The membrane proximal region of the cannabinoid receptor CB1 N-terminus can allosterically modulate ligand affinity. Fay JF, Farrens DL. Biochemistry 52 8286-8294 (2013)
  24. Natural Product Anacardic Acid from Cashew Nut Shells Stimulates Neutrophil Extracellular Trap Production and Bactericidal Activity. Hollands A, Corriden R, Gysler G, Dahesh S, Olson J, Raza Ali S, Kunkel MT, Lin AE, Forli S, Newton AC, Kumar GB, Nair BG, Perry JJP, Nizet V. J Biol Chem 291 13964-13973 (2016)
  25. Optical control of sphingosine-1-phosphate formation and function. Morstein J, Hill RZ, Novak AJE, Feng S, Norman DD, Donthamsetti PC, Frank JA, Harayama T, Williams BM, Parrill AL, Tigyi GJ, Riezman H, Isacoff EY, Bautista DM, Trauner D. Nat Chem Biol 15 623-631 (2019)
  26. Quantifying conformational changes in GPCRs: glimpse of a common functional mechanism. Dalton JA, Lans I, Giraldo J. BMC Bioinformatics 16 124 (2015)
  27. Ligand chain length drives activation of lipid G protein-coupled receptors. Troupiotis-Tsaïlaki A, Zachmann J, González-Gil I, Gonzalez A, Ortega-Gutiérrez S, López-Rodríguez ML, Pardo L, Govaerts C. Sci Rep 7 2020 (2017)
  28. Lipid receptor S1P₁ activation scheme concluded from microsecond all-atom molecular dynamics simulations. Yuan S, Wu R, Latek D, Trzaskowski B, Filipek S. PLoS Comput Biol 9 e1003261 (2013)
  29. Alpha-bulges in G protein-coupled receptors. van der Kant R, Vriend G. Int J Mol Sci 15 7841-7864 (2014)
  30. Biased Gs versus Gq proteins and β-arrestin signaling in the NK1 receptor determined by interactions in the water hydrogen bond network. Valentin-Hansen L, Frimurer TM, Mokrosinski J, Holliday ND, Schwartz TW. J Biol Chem 290 24495-24508 (2015)
  31. Individual variation of human S1P₁ coding sequence leads to heterogeneity in receptor function and drug interactions. Obinata H, Gutkind S, Stitham J, Okuno T, Yokomizo T, Hwa J, Hla T. J Lipid Res 55 2665-2675 (2014)
  32. Endogenous agonist-bound S1PR3 structure reveals determinants of G protein-subtype bias. Maeda S, Shiimura Y, Asada H, Hirata K, Luo F, Nango E, Tanaka N, Toyomoto M, Inoue A, Aoki J, Iwata S, Hagiwara M. Sci Adv 7 eabf5325 (2021)
  33. Free fatty acid receptors: structural models and elucidation of ligand binding interactions. Tikhonova IG, Poerio E. BMC Struct Biol 15 16 (2015)
  34. The sphingosine 1-phosphate receptor 2 is shed in exosomes from breast cancer cells and is N-terminally processed to a short constitutively active form that promotes extracellular signal regulated kinase activation and DNA synthesis in fibroblasts. El Buri A, Adams DR, Smith D, Tate RJ, Mullin M, Pyne S, Pyne NJ. Oncotarget 9 29453-29467 (2018)
  35. Structural insights into sphingosine-1-phosphate receptor activation. Yu L, He L, Gan B, Ti R, Xiao Q, Hu H, Zhu L, Wang S, Ren R. Proc Natl Acad Sci U S A 119 e2117716119 (2022)
  36. The E2.65A mutation disrupts dynamic binding poses of SB269652 at the dopamine D2 and D3 receptors. Verma RK, Abramyan AM, Michino M, Free RB, Sibley DR, Javitch JA, Lane JR, Shi L. PLoS Comput Biol 14 e1005948 (2018)
  37. GPCR-SSFE 2.0-a fragment-based molecular modeling web tool for Class A G-protein coupled receptors. Worth CL, Kreuchwig F, Tiemann JKS, Kreuchwig A, Ritschel M, Kleinau G, Hildebrand PW, Krause G. Nucleic Acids Res 45 W408-W415 (2017)
  38. GPCRtm: An amino acid substitution matrix for the transmembrane region of class A G Protein-Coupled Receptors. Rios S, Fernandez MF, Caltabiano G, Campillo M, Pardo L, Gonzalez A. BMC Bioinformatics 16 206 (2015)
  39. Uncovering the signalling, structure and function of the 20-HETE-GPR75 pairing: Identifying the chemokine CCL5 as a negative regulator of GPR75. Pascale JV, Park EJ, Adebesin AM, Falck JR, Schwartzman ML, Garcia V. Br J Pharmacol 178 3813-3828 (2021)
  40. G Protein-Coupled Receptors Contain Two Conserved Packing Clusters. Sanchez-Reyes OB, Cooke ALG, Tranter DB, Rashid D, Eilers M, Reeves PJ, Smith SO. Biophys J 112 2315-2326 (2017)
  41. Mastering tricyclic ring systems for desirable functional cannabinoid activity. Petrov RR, Knight L, Chen SR, Wager-Miller J, McDaniel SW, Diaz F, Barth F, Pan HL, Mackie K, Cavasotto CN, Diaz P. Eur J Med Chem 69 881-907 (2013)
  42. Signal Transduction and Pathogenic Modifications at the Melanocortin-4 Receptor: A Structural Perspective. Heyder N, Kleinau G, Szczepek M, Kwiatkowski D, Speck D, Soletto L, Cerdá-Reverter JM, Krude H, Kühnen P, Biebermann H, Scheerer P. Front Endocrinol (Lausanne) 10 515 (2019)
  43. Lys39-Lysophosphatidate Carbonyl Oxygen Interaction Locks LPA1 N-terminal Cap to the Orthosteric Site and partners Arg124 During Receptor Activation. Omotuyi OI, Nagai J, Ueda H. Sci Rep 5 13343 (2015)
  44. On homology modeling of the M₂ muscarinic acetylcholine receptor subtype. Jakubík J, Randáková A, Doležal V. J Comput Aided Mol Des 27 525-538 (2013)
  45. Structure and activation of the TSH receptor transmembrane domain. Núñez Miguel R, Sanders J, Furmaniak J, Smith BR. Auto Immun Highlights 8 2 (2017)
  46. Design, synthesis and biological evaluation of bivalent ligands against A(1)-D(1) receptor heteromers. Shen J, Zhang L, Song WL, Meng T, Wang X, Chen L, Feng LY, Xu YC, Shen JK. Acta Pharmacol Sin 34 441-452 (2013)
  47. Methods for the Development of In Silico GPCR Models. Morales P, Hurst DP, Reggio PH. Methods Enzymol 593 405-448 (2017)
  48. Beyond radio-displacement techniques for identification of CB1 ligands: the first application of a fluorescence-quenching assay. Bruno A, Lembo F, Novellino E, Stornaiuolo M, Marinelli L. Sci Rep 4 3757 (2014)
  49. Machine Learning to Identify Flexibility Signatures of Class A GPCR Inhibition. Bemister-Buffington J, Wolf AJ, Raschka S, Kuhn LA. Biomolecules 10 E454 (2020)
  50. Mitochondrial ADP/ATP exchange inhibition: a novel off-target mechanism underlying ibipinabant-induced myotoxicity. Schirris TJ, Ritschel T, Herma Renkema G, Willems PH, Smeitink JA, Russel FG. Sci Rep 5 14533 (2015)
  51. Rearrangement of the Extracellular Domain/Extracellular Loop 1 Interface Is Critical for Thyrotropin Receptor Activation. Schaarschmidt J, Nagel MBM, Huth S, Jaeschke H, Moretti R, Hintze V, von Bergen M, Kalkhof S, Meiler J, Paschke R. J Biol Chem 291 14095-14108 (2016)
  52. A membrane-proximal, C-terminal α-helix is required for plasma membrane localization and function of the G Protein-coupled receptor (GPCR) TGR5. Spomer L, Gertzen CG, Schmitz B, Häussinger D, Gohlke H, Keitel V. J Biol Chem 289 3689-3702 (2014)
  53. Activation mechanisms of the first sphingosine-1-phosphate receptor. Caliman AD, Miao Y, McCammon JA. Protein Sci 26 1150-1160 (2017)
  54. In Silico Studies Targeting G-protein Coupled Receptors for Drug Research Against Parkinson's Disease. Lemos A, Melo R, Preto AJ, Almeida JG, Moreira IS, Dias Soeiro Cordeiro MN. Curr Neuropharmacol 16 786-848 (2018)
  55. Insights into divalent cation regulation and G13-coupling of orphan receptor GPR35. Duan J, Liu Q, Yuan Q, Ji Y, Zhu S, Tan Y, He X, Xu Y, Shi J, Cheng X, Jiang H, Eric Xu H, Jiang Y. Cell Discov 8 135 (2022)
  56. Molecular Insights into the Transmembrane Domain of the Thyrotropin Receptor. Chantreau V, Taddese B, Munier M, Gourdin L, Henrion D, Rodien P, Chabbert M. PLoS One 10 e0142250 (2015)
  57. The Hydrophobic Ligands Entry and Exit from the GPCR Binding Site-SMD and SuMD Simulations. Jakowiecki J, Orzeł U, Chawananon S, Miszta P, Filipek S. Molecules 25 E1930 (2020)
  58. The conserved p.Arg108 residue in S1PR2 (DFNB68) is fundamental for proper hearing: evidence from a consanguineous Iranian family. Hofrichter MAH, Mojarad M, Doll J, Grimm C, Eslahi A, Hosseini NS, Rajati M, Müller T, Dittrich M, Maroofian R, Haaf T, Vona B. BMC Med Genet 19 81 (2018)
  59. Binding, Thermodynamics, and Selectivity of a Non-peptide Antagonist to the Melanocortin-4 Receptor. Saleh N, Kleinau G, Heyder N, Clark T, Hildebrand PW, Scheerer P. Front Pharmacol 9 560 (2018)
  60. Fly casting with ligand sliding and orientational selection supporting complex formation of a GPCR and a middle sized flexible molecule. Higo J, Kasahara K, Bekker GJ, Ma B, Sakuraba S, Iida S, Kamiya N, Fukuda I, Kono H, Fukunishi Y, Nakamura H. Sci Rep 12 13792 (2022)
  61. Incorporation of Agouti-Related Protein (AgRP) Human Single Nucleotide Polymorphisms (SNPs) in the AgRP-Derived Macrocyclic Scaffold c[Pro-Arg-Phe-Phe-Asn-Ala-Phe-dPro] Decreases Melanocortin-4 Receptor Antagonist Potency and Results in the Discovery of Melanocortin-5 Receptor Antagonists. Koerperich ZM, Ericson MD, Freeman KT, Speth RC, Pogozheva ID, Mosberg HI, Haskell-Luevano C. J Med Chem 63 2194-2208 (2020)
  62. Sphingosine-1-phosphate receptor-independent lung endothelial cell barrier disruption induced by FTY720 regioisomers. Camp SM, Marciniak A, Chiang ET, Garcia AN, Bittman R, Polt R, Perez RG, Dudek SM, Garcia JGN. Pulm Circ 10 (2020)
  63. Structural basis of lysophosphatidylserine receptor GPR174 ligand recognition and activation. Liang J, Inoue A, Ikuta T, Xia R, Wang N, Kawakami K, Xu Z, Qian Y, Zhu X, Zhang A, Guo C, Huang Z, He Y. Nat Commun 14 1012 (2023)
  64. A Definition of "Multitargeticity": Identifying Potential Multitarget and Selective Ligands Through a Vector Analysis. Sánchez-Tejeda JF, Sánchez-Ruiz JF, Salazar JR, Loza-Mejía MA. Front Chem 8 176 (2020)
  65. A benchmark study of loop modeling methods applied to G protein-coupled receptors. Wink LH, Baker DL, Cole JA, Parrill AL. J Comput Aided Mol Des 33 573-595 (2019)
  66. Alignment independent 3D-QSAR studies and molecular dynamics simulations for the identification of potent and selective S1P1 receptor agonists. Alizadeh AA, Jafari B, Dastmalchi S. J Mol Graph Model 94 107459 (2020)
  67. Combinatorial allosteric modulation of agonist response in a self-interacting G-protein coupled receptor. Patrone M, Cammarota E, Berno V, Tornaghi P, Mazza D, Degano M. Commun Biol 3 27 (2020)
  68. GPR6 Structural Insights: Homology Model Construction and Docking Studies. Isawi IH, Morales P, Sotudeh N, Hurst DP, Lynch DL, Reggio PH. Molecules 25 E725 (2020)
  69. Structural basis for receptor selectivity and inverse agonism in S1P5 receptors. Lyapina E, Marin E, Gusach A, Orekhov P, Gerasimov A, Luginina A, Vakhrameev D, Ergasheva M, Kovaleva M, Khusainov G, Khorn P, Shevtsov M, Kovalev K, Bukhdruker S, Okhrimenko I, Popov P, Hu H, Weierstall U, Liu W, Cho Y, Gushchin I, Rogachev A, Bourenkov G, Park S, Park G, Hyun HJ, Park J, Gordeliy V, Borshchevskiy V, Mishin A, Cherezov V. Nat Commun 13 4736 (2022)
  70. 7×7 RMSD matrix: A new method for quantitative comparison of the transmembrane domain structures in the G-protein coupled receptors. Wang T, Wang Y, Tang L, Duan Y, Liu H. J Struct Biol 199 87-101 (2017)
  71. In silico Docking Studies of Fingolimod and S1P1 Agonists. Marciniak A, Camp SM, Garcia JGN, Polt R. Front Pharmacol 11 247 (2020)
  72. Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84. Liu H, Zhang Q, He X, Jiang M, Wang S, Yan X, Cheng X, Liu Y, Nan FJ, Xu HE, Xie X, Yin W. Nat Commun 14 3271 (2023)
  73. Structure of the first sphingosine 1-phosphate receptor. Parrill AL, Lima S, Spiegel S. Sci Signal 5 pe23 (2012)
  74. Transmembrane protein CD69 acts as an S1PR1 agonist. Chen H, Qin Y, Chou M, Cyster JG, Li X. Elife 12 e88204 (2023)
  75. Activating Sphingosine-1-phospahte signaling in endothelial cells increases myosin light chain phosphorylation to decrease endothelial permeability thereby inhibiting cancer metastasis. Chen YC, Dinavahi SS, Feng Q, Gowda R, Ramisetti S, Xia X, LaPenna KB, Chirasani VR, Cho SH, Hafenstein SL, Battu MB, Berg A, Sharma AK, Kirchhausen T, Dokholyan NV, Amin S, He P, Robertson GP. Cancer Lett 506 107-119 (2021)
  76. Competitive Binding of Ozanimod and Other Sphingosine 1-Phosphate Receptor Modulators at Receptor Subtypes 1 and 5. Selkirk JV, Bortolato A, Yan YG, Ching N, Hargreaves R. Front Pharmacol 13 892097 (2022)
  77. Ligand Docking Methods to Recognize Allosteric Inhibitors for G-Protein-Coupled Receptors. Harini K, Jayashree S, Tiwari V, Vishwanath S, Sowdhamini R. Bioinform Biol Insights 15 11779322211037769 (2021)
  78. Assessment of the transmembrane domain structures in GPCR Dock 2013 models. Wang T, Liu H, Duan Y. J Struct Biol 201 210-220 (2018)
  79. Drug Repurposing for Identification of S1P1 Agonists with Potential Application in Multiple Sclerosis Using In Silico Drug Design Approaches. Alizadeh AA, Jafari B, Dastmalchi S. Adv Pharm Bull 13 113-122 (2023)
  80. End-to-end learning for compound activity prediction based on binding pocket information. Tanebe T, Ishida T. BMC Bioinformatics 22 529 (2021)
  81. Improving the Modeling of Extracellular Ligand Binding Pockets in RosettaGPCR for Conformational Selection. Liessmann F, Künze G, Meiler J. Int J Mol Sci 24 7788 (2023)
  82. Integrating transcriptomics and network analysis-based multiplexed drug repurposing to screen drug candidates for M2 macrophage-associated castration-resistant prostate cancer bone metastases. Chang J, Jiang Z, Ma T, Li J, Chen J, Ye P, Feng L. Front Immunol 13 989972 (2022)
  83. Locating ligand binding sites in G-protein coupled receptors using combined information from docking and sequence conservation. Vidad AR, Macaspac S, Ng HL. PeerJ 9 e12219 (2021)
  84. Mapping the Molecular Architecture Required for Lipid-Binding Pockets Using a Subset of Established and Orphan G-Protein Coupled Receptors. Nagarajan S, Qian ZY, Marimuthu P, Alkayed NJ, Kaul S, Barnes AP. J Chem Inf Model 61 3442-3452 (2021)
  85. research-article Transmembrane protein CD69 acts as an S1PR1 agonist. Chen H, Qin Y, Chou M, Cyster JG, Li X. bioRxiv 2023.02.13.528406 (2023)


Reviews citing this publication (120)

  1. Molecular signatures of G-protein-coupled receptors. Venkatakrishnan AJ, Deupi X, Lebon G, Tate CG, Schertler GF, Babu MM. Nature 494 185-194 (2013)
  2. Sphingolipids and their metabolism in physiology and disease. Hannun YA, Obeid LM. Nat Rev Mol Cell Biol 19 175-191 (2018)
  3. Sphingolipid metabolites in inflammatory disease. Maceyka M, Spiegel S. Nature 510 58-67 (2014)
  4. Structure-function of the G protein-coupled receptor superfamily. Katritch V, Cherezov V, Stevens RC. Annu Rev Pharmacol Toxicol 53 531-556 (2013)
  5. Emerging biology of sphingosine-1-phosphate: its role in pathogenesis and therapy. Proia RL, Hla T. J Clin Invest 125 1379-1387 (2015)
  6. Targeting the sphingosine-1-phosphate axis in cancer, inflammation and beyond. Kunkel GT, Maceyka M, Milstien S, Spiegel S. Nat Rev Drug Discov 12 688-702 (2013)
  7. Sphingosine 1-phosphate: Lipid signaling in pathology and therapy. Cartier A, Hla T. Science 366 eaar5551 (2019)
  8. 25-Hydroxycholesterols in innate and adaptive immunity. Cyster JG, Dang EV, Reboldi A, Yi T. Nat Rev Immunol 14 731-743 (2014)
  9. Lysophospholipid receptor nomenclature review: IUPHAR Review 8. Kihara Y, Maceyka M, Spiegel S, Chun J. Br J Pharmacol 171 3575-3594 (2014)
  10. Structure-based drug screening for G-protein-coupled receptors. Shoichet BK, Kobilka BK. Trends Pharmacol Sci 33 268-272 (2012)
  11. International Union of Basic and Clinical Pharmacology. LXXXVIII. G protein-coupled receptor list: recommendations for new pairings with cognate ligands. Davenport AP, Alexander SP, Sharman JL, Pawson AJ, Benson HE, Monaghan AE, Liew WC, Mpamhanga CP, Bonner TI, Neubig RR, Pin JP, Spedding M, Harmar AJ. Pharmacol Rev 65 967-986 (2013)
  12. Restructuring G-protein- coupled receptor activation. Audet M, Bouvier M. Cell 151 14-23 (2012)
  13. Structure and function of serotonin G protein-coupled receptors. McCorvy JD, Roth BL. Pharmacol Ther 150 129-142 (2015)
  14. Sphingosine-1-phosphate and its receptors: structure, signaling, and influence. Rosen H, Stevens RC, Hanson M, Roberts E, Oldstone MB. Annu Rev Biochem 82 637-662 (2013)
  15. Sphingosine-1-Phosphate Signaling in Immune Cells and Inflammation: Roles and Therapeutic Potential. Aoki M, Aoki H, Ramanathan R, Hait NC, Takabe K. Mediators Inflamm 2016 8606878 (2016)
  16. Unifying family A GPCR theories of activation. Tehan BG, Bortolato A, Blaney FE, Weir MP, Mason JS. Pharmacol Ther 143 51-60 (2014)
  17. Roles, regulation and inhibitors of sphingosine kinase 2. Neubauer HA, Pitson SM. FEBS J 280 5317-5336 (2013)
  18. Methodological advances: the unsung heroes of the GPCR structural revolution. Ghosh E, Kumari P, Jaiman D, Shukla AK. Nat Rev Mol Cell Biol 16 69-81 (2015)
  19. Advancing Biological Understanding and Therapeutics Discovery with Small-Molecule Probes. Schreiber SL, Kotz JD, Li M, Aubé J, Austin CP, Reed JC, Rosen H, White EL, Sklar LA, Lindsley CW, Alexander BR, Bittker JA, Clemons PA, de Souza A, Foley MA, Palmer M, Shamji AF, Wawer MJ, McManus O, Wu M, Zou B, Yu H, Golden JE, Schoenen FJ, Simeonov A, Jadhav A, Jackson MR, Pinkerton AB, Chung TD, Griffin PR, Cravatt BF, Hodder PS, Roush WR, Roberts E, Chung DH, Jonsson CB, Noah JW, Severson WE, Ananthan S, Edwards B, Oprea TI, Conn PJ, Hopkins CR, Wood MR, Stauffer SR, Emmitte KA, NIH Molecular Libraries Project Team. Cell 161 1252-1265 (2015)
  20. Cation Diffusion Facilitator family: Structure and function. Kolaj-Robin O, Russell D, Hayes KA, Pembroke JT, Soulimane T. FEBS Lett 589 1283-1295 (2015)
  21. Interaction of G protein coupled receptors and cholesterol. Gimpl G. Chem Phys Lipids 199 61-73 (2016)
  22. The structure and function of the S1P1 receptor. O'Sullivan C, Dev KK. Trends Pharmacol Sci 34 401-412 (2013)
  23. S1P control of endothelial integrity. Xiong Y, Hla T. Curr Top Microbiol Immunol 378 85-105 (2014)
  24. Cannabinoids and Cannabinoid Receptors: The Story so Far. Shahbazi F, Grandi V, Banerjee A, Trant JF. iScience 23 101301 (2020)
  25. Novel insights on thyroid-stimulating hormone receptor signal transduction. Kleinau G, Neumann S, Grüters A, Krude H, Biebermann H. Endocr Rev 34 691-724 (2013)
  26. Molecular and physiological functions of sphingosine 1-phosphate transporters. Nishi T, Kobayashi N, Hisano Y, Kawahara A, Yamaguchi A. Biochim Biophys Acta 1841 759-765 (2014)
  27. Chaperoning G protein-coupled receptors: from cell biology to therapeutics. Tao YX, Conn PM. Endocr Rev 35 602-647 (2014)
  28. The recombinant expression systems for structure determination of eukaryotic membrane proteins. He Y, Wang K, Yan N. Protein Cell 5 658-672 (2014)
  29. Neuropeptides and neuropeptide receptors: drug targets, and peptide and non-peptide ligands: a tribute to Prof. Dieter Seebach. Hoyer D, Bartfai T. Chem Biodivers 9 2367-2387 (2012)
  30. Sphingosine 1-phosphate Receptor Modulator Therapy for Multiple Sclerosis: Differential Downstream Receptor Signalling and Clinical Profile Effects. Chun J, Giovannoni G, Hunter SF. Drugs 81 207-231 (2021)
  31. Fingolimod: Lessons Learned and New Opportunities for Treating Multiple Sclerosis and Other Disorders. Chun J, Kihara Y, Jonnalagadda D, Blaho VA. Annu Rev Pharmacol Toxicol 59 149-170 (2019)
  32. Mechanisms of sphingosine 1-phosphate receptor signalling in cancer. Patmanathan SN, Wang W, Yap LF, Herr DR, Paterson IC. Cell Signal 34 66-75 (2017)
  33. Structural features of the G-protein/GPCR interactions. Moreira IS. Biochim Biophys Acta 1840 16-33 (2014)
  34. Leukocyte chemoattractant receptors in human disease pathogenesis. Zabel BA, Rott A, Butcher EC. Annu Rev Pathol 10 51-81 (2015)
  35. A simple guide to biochemical approaches for analyzing protein-lipid interactions. Zhao H, Lappalainen P. Mol Biol Cell 23 2823-2830 (2012)
  36. Fluorescent approaches for understanding interactions of ligands with G protein coupled receptors. Sridharan R, Zuber J, Connelly SM, Mathew E, Dumont ME. Biochim Biophys Acta 1838 15-33 (2014)
  37. Ligand-receptor interaction platforms and their applications for drug discovery. Fang Y. Expert Opin Drug Discov 7 969-988 (2012)
  38. GPCR crystal structures: Medicinal chemistry in the pocket. Shonberg J, Kling RC, Gmeiner P, Löber S. Bioorg Med Chem 23 3880-3906 (2015)
  39. Sphingolipid homeostasis in the endoplasmic reticulum and beyond. Breslow DK. Cold Spring Harb Perspect Biol 5 a013326 (2013)
  40. From G Protein-coupled Receptor Structure Resolution to Rational Drug Design. Jazayeri A, Dias JM, Marshall FH. J Biol Chem 290 19489-19495 (2015)
  41. Stabilizing membrane proteins through protein engineering. Scott DJ, Kummer L, Tremmel D, Plückthun A. Curr Opin Chem Biol 17 427-435 (2013)
  42. Dissecting influenza virus pathogenesis uncovers a novel chemical approach to combat the infection. Oldstone MB, Teijaro JR, Walsh KB, Rosen H. Virology 435 92-101 (2013)
  43. Understanding the common themes and diverse roles of the second extracellular loop (ECL2) of the GPCR super-family. Woolley MJ, Conner AC. Mol Cell Endocrinol 449 3-11 (2017)
  44. Opioid receptors: toward separation of analgesic from undesirable effects. Law PY, Reggio PH, Loh HH. Trends Biochem Sci 38 275-282 (2013)
  45. The role of sphingosine-1-phosphate in endothelial barrier function. Wilkerson BA, Argraves KM. Biochim Biophys Acta 1841 1403-1412 (2014)
  46. Binding kinetics of ligands acting at GPCRs. Sykes DA, Stoddart LA, Kilpatrick LE, Hill SJ. Mol Cell Endocrinol 485 9-19 (2019)
  47. Beyond Immune Cell Migration: The Emerging Role of the Sphingosine-1-phosphate Receptor S1PR4 as a Modulator of Innate Immune Cell Activation. Olesch C, Ringel C, Brüne B, Weigert A. Mediators Inflamm 2017 6059203 (2017)
  48. Large-scale production and protein engineering of G protein-coupled receptors for structural studies. Milić D, Veprintsev DB. Front Pharmacol 6 66 (2015)
  49. Signaling in the primary cilium through the lens of the Hedgehog pathway. Gigante ED, Caspary T. Wiley Interdiscip Rev Dev Biol 9 e377 (2020)
  50. Apolipoprotein M: bridging HDL and endothelial function. Christoffersen C, Nielsen LB. Curr Opin Lipidol 24 295-300 (2013)
  51. Sphingosine-1-Phosphate and Its Receptors: A Mutual Link between Blood Coagulation and Inflammation. Mahajan-Thakur S, Böhm A, Jedlitschky G, Schrör K, Rauch BH. Mediators Inflamm 2015 831059 (2015)
  52. Emerging opportunities for allosteric modulation of G-protein coupled receptors. Wang CI, Lewis RJ. Biochem Pharmacol 85 153-162 (2013)
  53. Molecular pharmacology of metabotropic receptors targeted by neuropsychiatric drugs. Roth BL. Nat Struct Mol Biol 26 535-544 (2019)
  54. Sphingosine 1-Phosphate Receptor 1 Signaling in Mammalian Cells. Pyne NJ, Pyne S. Molecules 22 E344 (2017)
  55. Structural Insights into CB1 Receptor Biased Signaling. Al-Zoubi R, Morales P, Reggio PH. Int J Mol Sci 20 E1837 (2019)
  56. Structural-Functional Features of the Thyrotropin Receptor: A Class A G-Protein-Coupled Receptor at Work. Kleinau G, Worth CL, Kreuchwig A, Biebermann H, Marcinkowski P, Scheerer P, Krause G. Front Endocrinol (Lausanne) 8 86 (2017)
  57. Successful Strategies to Determine High-Resolution Structures of GPCRs. Xiang J, Chun E, Liu C, Jing L, Al-Sahouri Z, Zhu L, Liu W. Trends Pharmacol Sci 37 1055-1069 (2016)
  58. Structure-based and fragment-based GPCR drug discovery. Andrews SP, Brown GA, Christopher JA. ChemMedChem 9 256-275 (2014)
  59. Impact of helix irregularities on sequence alignment and homology modeling of G protein-coupled receptors. Gonzalez A, Cordomí A, Caltabiano G, Pardo L. Chembiochem 13 1393-1399 (2012)
  60. Modulators of the Sphingosine 1-phosphate receptor 1. Urbano M, Guerrero M, Rosen H, Roberts E. Bioorg Med Chem Lett 23 6377-6389 (2013)
  61. The G protein-coupled receptor N-terminus and receptor signalling: N-tering a new era. Coleman JL, Ngo T, Smith NJ. Cell Signal 33 1-9 (2017)
  62. A Molecular Pharmacologist's Guide to G Protein-Coupled Receptor Crystallography. Piscitelli CL, Kean J, de Graaf C, Deupi X. Mol Pharmacol 88 536-551 (2015)
  63. Endogenous lipid activated G protein-coupled receptors: emerging structural features from crystallography and molecular dynamics simulations. Hurst DP, Schmeisser M, Reggio PH. Chem Phys Lipids 169 46-56 (2013)
  64. Lysophospholipids in coronary artery and chronic ischemic heart disease. Abdel-Latif A, Heron PM, Morris AJ, Smyth SS. Curr Opin Lipidol 26 432-437 (2015)
  65. Sphingosine 1-Phosphate Receptors: Do They Have a Therapeutic Potential in Cardiac Fibrosis? Vestri A, Pierucci F, Frati A, Monaco L, Meacci E. Front Pharmacol 8 296 (2017)
  66. Sphingosine-1-phosphate and other lipid mediators generated by mast cells as critical players in allergy and mast cell function. Kulinski JM, Muñoz-Cano R, Olivera A. Eur J Pharmacol 778 56-67 (2016)
  67. Sphingosine-1-phosphate receptors as emerging targets for treatment of pain. Welch SP, Sim-Selley LJ, Selley DE. Biochem Pharmacol 84 1551-1562 (2012)
  68. Cell membranes… and how long drugs may exert beneficial pharmacological activity in vivo. Vauquelin G. Br J Clin Pharmacol 82 673-682 (2016)
  69. Compound activity prediction using models of binding pockets or ligand properties in 3D. Kufareva I, Chen YC, Ilatovskiy AV, Abagyan R. Curr Top Med Chem 12 1869-1882 (2012)
  70. Production of GPCR and GPCR complexes for structure determination. Maeda S, Schertler GF. Curr Opin Struct Biol 23 381-392 (2013)
  71. Discovery of GPCR ligands for probing signal transduction pathways. Brogi S, Tafi A, Désaubry L, Nebigil CG. Front Pharmacol 5 255 (2014)
  72. Identification of Similar Binding Sites to Detect Distant Polypharmacology. Jalencas X, Mestres J. Mol Inform 32 976-990 (2013)
  73. Oxysterol-EBI2 signaling in immune regulation and viral infection. Daugvilaite V, Arfelt KN, Benned-Jensen T, Sailer AW, Rosenkilde MM. Eur J Immunol 44 1904-1912 (2014)
  74. Sphingosine 1-phosphate receptor 1 agonists: a patent review (2013-2015). Guerrero M, Urbano M, Roberts E. Expert Opin Ther Pat 26 455-470 (2016)
  75. Unlocking the secrets of the gatekeeper: methods for stabilizing and crystallizing GPCRs. Bertheleme N, Chae PS, Singh S, Mossakowska D, Hann MM, Smith KJ, Hubbard JA, Dowell SJ, Byrne B. Biochim Biophys Acta 1828 2583-2591 (2013)
  76. Peptide ligand recognition by G protein-coupled receptors. Krumm BE, Grisshammer R. Front Pharmacol 6 48 (2015)
  77. Structural studies of G protein-coupled receptors. Lu M, Wu B. IUBMB Life 68 894-903 (2016)
  78. A Novel Perspective on the ApoM-S1P Axis, Highlighting the Metabolism of ApoM and Its Role in Liver Fibrosis and Neuroinflammation. Hajny S, Christoffersen C. Int J Mol Sci 18 E1636 (2017)
  79. Modeling G protein-coupled receptors and their interactions with ligands. Costanzi S. Curr Opin Struct Biol 23 185-190 (2013)
  80. On the 'micro'-pharmacodynamic and pharmacokinetic mechanisms that contribute to long-lasting drug action. Vauquelin G. Expert Opin Drug Discov 10 1085-1098 (2015)
  81. S1P Provokes Tumor Lymphangiogenesis via Macrophage-Derived Mediators Such as IL-1β or Lipocalin-2. Syed SN, Jung M, Weigert A, Brüne B. Mediators Inflamm 2017 7510496 (2017)
  82. Structural insights into melatonin receptors. Stauch B, Johansson LC, Cherezov V. FEBS J 287 1496-1510 (2020)
  83. Trafficking and Functions of Bioactive Sphingolipids: Lessons from Cells and Model Membranes. Zhou K, Blom T. Lipid Insights 8 11-20 (2015)
  84. Understanding the Role of Lipids in Signaling Through Atomistic and Multiscale Simulations of Cell Membranes. Manna M, Nieminen T, Vattulainen I. Annu Rev Biophys 48 421-439 (2019)
  85. Smoothened goes molecular: new pieces in the hedgehog signaling puzzle. McCabe JM, Leahy DJ. J Biol Chem 290 3500-3507 (2015)
  86. GPCR activation: protonation and membrane potential. Zhang XC, Sun K, Zhang L, Li X, Cao C. Protein Cell 4 747-760 (2013)
  87. Lysophosphatidic acid type 2 receptor agonists in targeted drug development offer broad therapeutic potential. Tigyi GJ, Johnson LR, Lee SC, Norman DD, Szabo E, Balogh A, Thompson K, Boler A, McCool WS. J Lipid Res 60 464-474 (2019)
  88. Structure-function studies with G protein-coupled receptors as a paradigm for improving drug discovery and development of therapeutics. McNeely PM, Naranjo AN, Robinson AS. Biotechnol J 7 1451-1461 (2012)
  89. One for the Price of Two…Are Bivalent Ligands Targeting Cannabinoid Receptor Dimers Capable of Simultaneously Binding to both Receptors? Glass M, Govindpani K, Furkert DP, Hurst DP, Reggio PH, Flanagan JU. Trends Pharmacol Sci 37 353-363 (2016)
  90. Post-expression strategies for structural investigations of membrane proteins. Columbus L. Curr Opin Struct Biol 32 131-138 (2015)
  91. Resveratrol and its oligomers: modulation of sphingolipid metabolism and signaling in disease. Lim KG, Gray AI, Anthony NG, Mackay SP, Pyne S, Pyne NJ. Arch Toxicol 88 2213-2232 (2014)
  92. Chemical Tools for Studying Lipid-Binding Class A G Protein-Coupled Receptors. Cooper A, Singh S, Hook S, Tyndall JDA, Vernall AJ. Pharmacol Rev 69 316-353 (2017)
  93. Structure and function of G protein-coupled receptor oligomers: implications for drug discovery. Schonenbach NS, Hussain S, O'Malley MA. Wiley Interdiscip Rev Nanomed Nanobiotechnol 7 408-427 (2015)
  94. Sulfur-containing amino acids in 7TMRs: molecular gears for pharmacology and function. Cordomí A, Gómez-Tamayo JC, Gigoux V, Fourmy D. Trends Pharmacol Sci 34 320-331 (2013)
  95. Amino acid conservation and interactions in rhodopsin: probing receptor activation by NMR spectroscopy. Pope A, Eilers M, Reeves PJ, Smith SO. Biochim Biophys Acta 1837 683-693 (2014)
  96. Identifying G protein-coupled receptor dimers from crystal packings. Stenkamp RE. Acta Crystallogr D Struct Biol 74 655-670 (2018)
  97. Molecular mechanisms of target recognition by lipid GPCRs: relevance for cancer. van Jaarsveld MT, Houthuijzen JM, Voest EE. Oncogene 35 4021-4035 (2016)
  98. Overexpression of membrane proteins from higher eukaryotes in yeasts. Emmerstorfer A, Wriessnegger T, Hirz M, Pichler H. Appl Microbiol Biotechnol 98 7671-7698 (2014)
  99. Structure-based studies of chemokine receptors. Zhu L, Zhao Q, Wu B. Curr Opin Struct Biol 23 539-546 (2013)
  100. [G protein-coupled receptors in the spotlight]. Lebon G, Tate CG. Med Sci (Paris) 28 876-882 (2012)
  101. Biological Effects of Naturally Occurring Sphingolipids, Uncommon Variants, and Their Analogs. Lai MK, Chew WS, Torta F, Rao A, Harris GL, Chun J, Herr DR. Neuromolecular Med 18 396-414 (2016)
  102. Mechanistic Understanding from Molecular Dynamics in Pharmaceutical Research 2: Lipid Membrane in Drug Design. Róg T, Girych M, Bunker A. Pharmaceuticals (Basel) 14 1062 (2021)
  103. Sphingosine metabolism as a therapeutic target in cutaneous melanoma. Dany M. Transl Res 185 1-12 (2017)
  104. Structural Complexity and Plasticity of Signaling Regulation at the Melanocortin-4 Receptor. Kleinau G, Heyder NA, Tao YX, Scheerer P. Int J Mol Sci 21 E5728 (2020)
  105. X-ray structural information of GPCRs in drug design: what are the limitations and where do we go? Topiol S. Expert Opin Drug Discov 8 607-620 (2013)
  106. Chemogenomics of allosteric binding sites in GPCRs. Gloriam DE. Drug Discov Today Technol 10 e307-13 (2013)
  107. The role of experimental and computational structural approaches in 7TM drug discovery. Topiol S, Sabio M. Expert Opin Drug Discov 10 1071-1084 (2015)
  108. Invited review: GPCR structural characterization: Using fragments as building blocks to determine a complete structure. Cohen LS, Fracchiolla KE, Becker J, Naider F. Biopolymers 102 223-243 (2014)
  109. Link between a high k on for drug binding and a fast clinical action: to be or not to be? Vauquelin G. Medchemcomm 9 1426-1438 (2018)
  110. The power of mass spectrometry in structural characterization of GPCR signaling. Xiao K, Chung J, Wall A. J Recept Signal Transduct Res 35 213-219 (2015)
  111. Insights into the structural biology of G-protein coupled receptors impacts drug design for central nervous system neurodegenerative processes. Dalet FG, Guadalupe TF, María Del Carmen CH, Humberto GA, Antonio SU. Neural Regen Res 8 2290-2302 (2013)
  112. Electron crystallography--the waking beauty of structural biology. Pope CR, Unger VM. Curr Opin Struct Biol 22 514-519 (2012)
  113. A Glimpse of the Structural Biology of the Metabolism of Sphingosine-1-Phosphate. Ren R, Pang B, Han Y, Li Y. Contact (Thousand Oaks) 4 2515256421995601 (2021)
  114. Plasmon Waveguide Resonance: Principles, Applications and Historical Perspectives on Instrument Development. Rascol E, Villette S, Harté E, Alves ID. Molecules 26 6442 (2021)
  115. Molecular modeling of vasopressin receptor and in silico screening of V1b receptor antagonists. Hagiwara Y, Ohno K, Kamohara M, Takasaki J, Watanabe T, Fukunishi Y, Nakamura H, Orita M. Expert Opin Drug Discov 8 951-964 (2013)
  116. Chemical and genetic tools to explore S1P biology. Cahalan SM. Curr Top Microbiol Immunol 378 55-83 (2014)
  117. Molecular Biophysics of Class A G Protein Coupled Receptors-Lipids Interactome at a Glance-Highlights from the A2A Adenosine Receptor. Tzortzini E, Kolocouris A. Biomolecules 13 957 (2023)
  118. New technologies enabling the industrialization of allosteric modulator discovery. Lütjens R, Perry B, Schelshorn D, Rocher JP. Drug Discov Today Technol 10 e253-60 (2013)
  119. Structural and functional insights into the G protein-coupled receptors: CB1 and CB2. Brust CA, Swanson MA, Bohn LM. Biochem Soc Trans 51 1533-1543 (2023)
  120. [Strategies for the structural determination of G protein-coupled receptors: from an example of histamine H₁ receptor]. Shiroishi M. Yakugaku Zasshi 133 539-547 (2013)

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  1. Structural basis for allosteric regulation of GPCRs by sodium ions. Liu W, Chun E, Thompson AA, Chubukov P, Xu F, Katritch V, Han GW, Roth CB, Heitman LH, IJzerman AP, Cherezov V, Stevens RC. Science 337 232-236 (2012)
  2. The Concise Guide to PHARMACOLOGY 2013/14: G protein-coupled receptors. Alexander SP, Benson HE, Faccenda E, Pawson AJ, Sharman JL, Spedding M, Peters JA, Harmar AJ, CGTP Collaborators. Br J Pharmacol 170 1459-1581 (2013)
  3. X-ray structures and mechanism of the human serotonin transporter. Coleman JA, Green EM, Gouaux E. Nature 532 334-339 (2016)
  4. NMDA receptor structures reveal subunit arrangement and pore architecture. Lee CH, Lü W, Michel JC, Goehring A, Du J, Song X, Gouaux E. Nature 511 191-197 (2014)
  5. High-resolution crystal structure of human protease-activated receptor 1. Zhang C, Srinivasan Y, Arlow DH, Fung JJ, Palmer D, Zheng Y, Green HF, Pandey A, Dror RO, Shaw DE, Weis WI, Coughlin SR, Kobilka BK. Nature 492 387-392 (2012)
  6. Structure of class B GPCR corticotropin-releasing factor receptor 1. Hollenstein K, Kean J, Bortolato A, Cheng RK, Doré AS, Jazayeri A, Cooke RM, Weir M, Marshall FH. Nature 499 438-443 (2013)
  7. Fusion partner toolchest for the stabilization and crystallization of G protein-coupled receptors. Chun E, Thompson AA, Liu W, Roth CB, Griffith MT, Katritch V, Kunken J, Xu F, Cherezov V, Hanson MA, Stevens RC. Structure 20 967-976 (2012)
  8. Structure of the human P2Y12 receptor in complex with an antithrombotic drug. Zhang K, Zhang J, Gao ZG, Zhang D, Zhu L, Han GW, Moss SM, Paoletta S, Kiselev E, Lu W, Fenalti G, Zhang W, Müller CE, Yang H, Jiang H, Cherezov V, Katritch V, Jacobson KA, Stevens RC, Wu B, Zhao Q. Nature 509 115-118 (2014)
  9. Crystal structures of agonist-bound human cannabinoid receptor CB1. Hua T, Vemuri K, Nikas SP, Laprairie RB, Wu Y, Qu L, Pu M, Korde A, Jiang S, Ho JH, Han GW, Ding K, Li X, Liu H, Hanson MA, Zhao S, Bohn LM, Makriyannis A, Stevens RC, Liu ZJ. Nature 547 468-471 (2017)
  10. Flow-regulated endothelial S1P receptor-1 signaling sustains vascular development. Jung B, Obinata H, Galvani S, Mendelson K, Ding BS, Skoura A, Kinzel B, Brinkmann V, Rafii S, Evans T, Hla T. Dev Cell 23 600-610 (2012)
  11. X-ray structure of acid-sensing ion channel 1-snake toxin complex reveals open state of a Na(+)-selective channel. Baconguis I, Bohlen CJ, Goehring A, Julius D, Gouaux E. Cell 156 717-729 (2014)
  12. Two disparate ligand-binding sites in the human P2Y1 receptor. Zhang D, Gao ZG, Zhang K, Kiselev E, Crane S, Wang J, Paoletta S, Yi C, Ma L, Zhang W, Han GW, Liu H, Cherezov V, Katritch V, Jiang H, Stevens RC, Jacobson KA, Zhao Q, Wu B. Nature 520 317-321 (2015)
  13. Structure of a Signaling Cannabinoid Receptor 1-G Protein Complex. Krishna Kumar K, Shalev-Benami M, Robertson MJ, Hu H, Banister SD, Hollingsworth SA, Latorraca NR, Kato HE, Hilger D, Maeda S, Weis WI, Farrens DL, Dror RO, Malhotra SV, Kobilka BK, Skiniotis G. Cell 176 448-458.e12 (2019)
  14. High-resolution structure of the human GPR40 receptor bound to allosteric agonist TAK-875. Srivastava A, Yano J, Hirozane Y, Kefala G, Gruswitz F, Snell G, Lane W, Ivetac A, Aertgeerts K, Nguyen J, Jennings A, Okada K. Nature 513 124-127 (2014)
  15. X-ray structures of GluCl in apo states reveal a gating mechanism of Cys-loop receptors. Althoff T, Hibbs RE, Banerjee S, Gouaux E. Nature 512 333-337 (2014)
  16. Crystal Structure of the Human Cannabinoid Receptor CB2. Li X, Hua T, Vemuri K, Ho JH, Wu Y, Wu L, Popov P, Benchama O, Zvonok N, Locke K, Qu L, Han GW, Iyer MR, Cinar R, Coffey NJ, Wang J, Wu M, Katritch V, Zhao S, Kunos G, Bohn LM, Makriyannis A, Stevens RC, Liu ZJ. Cell 176 459-467.e13 (2019)
  17. Structural basis of Nav1.7 inhibition by an isoform-selective small-molecule antagonist. Ahuja S, Mukund S, Deng L, Khakh K, Chang E, Ho H, Shriver S, Young C, Lin S, Johnson JP, Wu P, Li J, Coons M, Tam C, Brillantes B, Sampang H, Mortara K, Bowman KK, Clark KR, Estevez A, Xie Z, Verschoof H, Grimwood M, Dehnhardt C, Andrez JC, Focken T, Sutherlin DP, Safina BS, Starovasnik MA, Ortwine DF, Franke Y, Cohen CJ, Hackos DH, Koth CM, Payandeh J. Science 350 aac5464 (2015)
  18. MC4R agonism promotes durable weight loss in patients with leptin receptor deficiency. Clément K, Biebermann H, Farooqi IS, Van der Ploeg L, Wolters B, Poitou C, Puder L, Fiedorek F, Gottesdiener K, Kleinau G, Heyder N, Scheerer P, Blume-Peytavi U, Jahnke I, Sharma S, Mokrosinski J, Wiegand S, Müller A, Weiß K, Mai K, Spranger J, Grüters A, Blankenstein O, Krude H, Kühnen P. Nat Med 24 551-555 (2018)
  19. X-ray structures define human P2X(3) receptor gating cycle and antagonist action. Mansoor SE, Lü W, Oosterheert W, Shekhar M, Tajkhorshid E, Gouaux E. Nature 538 66-71 (2016)
  20. Structural insight into allosteric modulation of protease-activated receptor 2. Cheng RKY, Fiez-Vandal C, Schlenker O, Edman K, Aggeler B, Brown DG, Brown GA, Cooke RM, Dumelin CE, Doré AS, Geschwindner S, Grebner C, Hermansson NO, Jazayeri A, Johansson P, Leong L, Prihandoko R, Rappas M, Soutter H, Snijder A, Sundström L, Tehan B, Thornton P, Troast D, Wiggin G, Zhukov A, Marshall FH, Dekker N. Nature 545 112-115 (2017)
  21. Gating mechanisms of acid-sensing ion channels. Yoder N, Yoshioka C, Gouaux E. Nature 555 397-401 (2018)
  22. The sphingolipid receptor S1PR2 is a receptor for Nogo-a repressing synaptic plasticity. Kempf A, Tews B, Arzt ME, Weinmann O, Obermair FJ, Pernet V, Zagrebelsky M, Delekate A, Iobbi C, Zemmar A, Ristic Z, Gullo M, Spies P, Dodd D, Gygax D, Korte M, Schwab ME. PLoS Biol 12 e1001763 (2014)
  23. Mechanism of NMDA receptor channel block by MK-801 and memantine. Song X, Jensen MØ, Jogini V, Stein RA, Lee CH, Mchaourab HS, Shaw DE, Gouaux E. Nature 556 515-519 (2018)
  24. Molecular basis for negative regulation of the glucagon receptor. Koth CM, Murray JM, Mukund S, Madjidi A, Minn A, Clarke HJ, Wong T, Chiang V, Luis E, Estevez A, Rondon J, Zhang Y, Hötzel I, Allan BB. Proc Natl Acad Sci U S A 109 14393-14398 (2012)
  25. Membrane cholesterol access into a G-protein-coupled receptor. Guixà-González R, Albasanz JL, Rodriguez-Espigares I, Pastor M, Sanz F, Martí-Solano M, Manna M, Martinez-Seara H, Hildebrand PW, Martín M, Selent J. Nat Commun 8 14505 (2017)
  26. Structure of an allosteric modulator bound to the CB1 cannabinoid receptor. Shao Z, Yan W, Chapman K, Ramesh K, Ferrell AJ, Yin J, Wang X, Xu Q, Rosenbaum DM. Nat Chem Biol 15 1199-1205 (2019)
  27. Biophysical fragment screening of the β1-adrenergic receptor: identification of high affinity arylpiperazine leads using structure-based drug design. Christopher JA, Brown J, Doré AS, Errey JC, Koglin M, Marshall FH, Myszka DG, Rich RL, Tate CG, Tehan B, Warne T, Congreve M. J Med Chem 56 3446-3455 (2013)
  28. N-terminal T4 lysozyme fusion facilitates crystallization of a G protein coupled receptor. Zou Y, Weis WI, Kobilka BK. PLoS One 7 e46039 (2012)
  29. Structure and ligand-binding mechanism of the human OX1 and OX2 orexin receptors. Yin J, Babaoglu K, Brautigam CA, Clark L, Shao Z, Scheuermann TH, Harrell CM, Gotter AL, Roecker AJ, Winrow CJ, Renger JJ, Coleman PJ, Rosenbaum DM. Nat Struct Mol Biol 23 293-299 (2016)
  30. Structural insights into ligand recognition by the lysophosphatidic acid receptor LPA6. Taniguchi R, Inoue A, Sayama M, Uwamizu A, Yamashita K, Hirata K, Yoshida M, Tanaka Y, Kato HE, Nakada-Nakura Y, Otani Y, Nishizawa T, Doi T, Ohwada T, Ishitani R, Aoki J, Nureki O. Nature 548 356-360 (2017)
  31. The human bitter taste receptor TAS2R10 is tailored to accommodate numerous diverse ligands. Born S, Levit A, Niv MY, Meyerhof W, Behrens M. J Neurosci 33 201-213 (2013)
  32. Modeling, molecular dynamics simulation, and mutation validation for structure of cannabinoid receptor 2 based on known crystal structures of GPCRs. Feng Z, Alqarni MH, Yang P, Tong Q, Chowdhury A, Wang L, Xie XQ. J Chem Inf Model 54 2483-2499 (2014)
  33. Distinct CCR7 glycosylation pattern shapes receptor signaling and endocytosis to modulate chemotactic responses. Hauser MA, Kindinger I, Laufer JM, Späte AK, Bucher D, Vanes SL, Krueger WA, Wittmann V, Legler DF. J Leukoc Biol 99 993-1007 (2016)
  34. Ligand binding to human prostaglandin E receptor EP4 at the lipid-bilayer interface. Toyoda Y, Morimoto K, Suno R, Horita S, Yamashita K, Hirata K, Sekiguchi Y, Yasuda S, Shiroishi M, Shimizu T, Urushibata Y, Kajiwara Y, Inazumi T, Hotta Y, Asada H, Nakane T, Shiimura Y, Nakagita T, Tsuge K, Yoshida S, Kuribara T, Hosoya T, Sugimoto Y, Nomura N, Sato M, Hirokawa T, Kinoshita M, Murata T, Takayama K, Yamamoto M, Narumiya S, Iwata S, Kobayashi T. Nat Chem Biol 15 18-26 (2019)
  35. Opsin, a structural model for olfactory receptors? Park JH, Morizumi T, Li Y, Hong JE, Pai EF, Hofmann KP, Choe HW, Ernst OP. Angew Chem Int Ed Engl 52 11021-11024 (2013)
  36. Organization and Dynamics of Receptor Proteins in a Plasma Membrane. Koldsø H, Sansom MS. J Am Chem Soc 137 14694-14704 (2015)
  37. Allosteric modulation of a cannabinoid G protein-coupled receptor: binding site elucidation and relationship to G protein signaling. Shore DM, Baillie GL, Hurst DH, Navas F, Seltzman HH, Marcu JP, Abood ME, Ross RA, Reggio PH. J Biol Chem 289 5828-5845 (2014)
  38. Fragment screening at adenosine-A(3) receptors in living cells using a fluorescence-based binding assay. Stoddart LA, Vernall AJ, Denman JL, Briddon SJ, Kellam B, Hill SJ. Chem Biol 19 1105-1115 (2012)
  39. Observed drug-receptor association rates are governed by membrane affinity: the importance of establishing "micro-pharmacokinetic/pharmacodynamic relationships" at the β2-adrenoceptor. Sykes DA, Parry C, Reilly J, Wright P, Fairhurst RA, Charlton SJ. Mol Pharmacol 85 608-617 (2014)
  40. The importance of ligands for G protein-coupled receptor stability. Zhang X, Stevens RC, Xu F. Trends Biochem Sci 40 79-87 (2015)
  41. Structure-Based Sequence Alignment of the Transmembrane Domains of All Human GPCRs: Phylogenetic, Structural and Functional Implications. Cvicek V, Goddard WA, Abrol R. PLoS Comput Biol 12 e1004805 (2016)
  42. Interactions of the α-subunits of heterotrimeric G-proteins with GPCRs, effectors and RGS proteins: a critical review and analysis of interacting surfaces, conformational shifts, structural diversity and electrostatic potentials. Baltoumas FA, Theodoropoulou MC, Hamodrakas SJ. J Struct Biol 182 209-218 (2013)
  43. Sphingosine 1-phosphate distribution in human plasma: associations with lipid profiles. Hammad SM, Al Gadban MM, Semler AJ, Klein RL. J Lipids 2012 180705 (2012)
  44. Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling. Keune WJ, Hausmann J, Bolier R, Tolenaars D, Kremer A, Heidebrecht T, Joosten RP, Sunkara M, Morris AJ, Matas-Rico E, Moolenaar WH, Oude Elferink RP, Perrakis A. Nat Commun 7 11248 (2016)
  45. FTY720 (s)-phosphonate preserves sphingosine 1-phosphate receptor 1 expression and exhibits superior barrier protection to FTY720 in acute lung injury. Wang L, Sammani S, Moreno-Vinasco L, Letsiou E, Wang T, Camp SM, Bittman R, Garcia JG, Dudek SM. Crit Care Med 42 e189-99 (2014)
  46. Identification of a novel Parkinson's disease locus via stratified genome-wide association study. Hill-Burns EM, Wissemann WT, Hamza TH, Factor SA, Zabetian CP, Payami H. BMC Genomics 15 118 (2014)
  47. Na+-mimicking ligands stabilize the inactive state of leukotriene B4 receptor BLT1. Hori T, Okuno T, Hirata K, Yamashita K, Kawano Y, Yamamoto M, Hato M, Nakamura M, Shimizu T, Yokomizo T, Miyano M, Yokoyama S. Nat Chem Biol 14 262-269 (2018)
  48. Novel selective allosteric and bitopic ligands for the S1P(3) receptor. Jo E, Bhhatarai B, Repetto E, Guerrero M, Riley S, Brown SJ, Kohno Y, Roberts E, Schürer SC, Rosen H. ACS Chem Biol 7 1975-1983 (2012)
  49. Structures of the Human PGD2 Receptor CRTH2 Reveal Novel Mechanisms for Ligand Recognition. Wang L, Yao D, Deepak RNVK, Liu H, Xiao Q, Fan H, Gong W, Wei Z, Zhang C. Mol Cell 72 48-59.e4 (2018)
  50. Can Specific Protein-Lipid Interactions Stabilize an Active State of the Beta 2 Adrenergic Receptor? Neale C, Herce HD, Pomès R, García AE. Biophys J 109 1652-1662 (2015)
  51. Do plants contain g protein-coupled receptors? Taddese B, Upton GJ, Bailey GR, Jordan SR, Abdulla NY, Reeves PJ, Reynolds CA. Plant Physiol 164 287-307 (2014)
  52. A sphingosine 1-phosphate receptor 2 selective allosteric agonist. Satsu H, Schaeffer MT, Guerrero M, Saldana A, Eberhart C, Hodder P, Cayanan C, Schürer S, Bhhatarai B, Roberts E, Rosen H, Brown SJ. Bioorg Med Chem 21 5373-5382 (2013)
  53. The Crystal Structure of an Integral Membrane Fatty Acid α-Hydroxylase. Zhu G, Koszelak-Rosenblum M, Connelly SM, Dumont ME, Malkowski MG. J Biol Chem 290 29820-29833 (2015)
  54. Predicted structure of agonist-bound glucagon-like peptide 1 receptor, a class B G protein-coupled receptor. Kirkpatrick A, Heo J, Abrol R, Goddard WA. Proc Natl Acad Sci U S A 109 19988-19993 (2012)
  55. The molecular basis of ligand interaction at free fatty acid receptor 4 (FFA4/GPR120). Hudson BD, Shimpukade B, Milligan G, Ulven T. J Biol Chem 289 20345-20358 (2014)
  56. In vitro expression and analysis of the 826 human G protein-coupled receptors. Lv X, Liu J, Shi Q, Tan Q, Wu D, Skinner JJ, Walker AL, Zhao L, Gu X, Chen N, Xue L, Si P, Zhang L, Wang Z, Katritch V, Liu ZJ, Stevens RC. Protein Cell 7 325-337 (2016)
  57. Lipid-Protein Interactions Are a Unique Property and Defining Feature of G Protein-Coupled Receptors. Sejdiu BI, Tieleman DP. Biophys J 118 1887-1900 (2020)
  58. Autosomal-Recessive Hearing Impairment Due to Rare Missense Variants within S1PR2. Santos-Cortez RL, Faridi R, Rehman AU, Lee K, Ansar M, Wang X, Morell RJ, Isaacson R, Belyantseva IA, Dai H, Acharya A, Qaiser TA, Muhammad D, Ali RA, Shams S, Hassan MJ, Shahzad S, Raza SI, Bashir ZE, Smith JD, Nickerson DA, Bamshad MJ, University of Washington Center for Mendelian Genomics, Riazuddin S, Ahmad W, Friedman TB, Leal SM. Am J Hum Genet 98 331-338 (2016)
  59. Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Liu S, Paknejad N, Zhu L, Kihara Y, Ray M, Chun J, Liu W, Hite RK, Huang XY. Nat Commun 13 731 (2022)
  60. Structural basis for signal recognition and transduction by platelet-activating-factor receptor. Cao C, Tan Q, Xu C, He L, Yang L, Zhou Y, Zhou Y, Qiao A, Lu M, Yi C, Han GW, Wang X, Li X, Yang H, Rao Z, Jiang H, Zhao Y, Liu J, Stevens RC, Zhao Q, Zhang XC, Wu B. Nat Struct Mol Biol 25 488-495 (2018)
  61. Crystal structure of the endogenous agonist-bound prostanoid receptor EP3. Morimoto K, Suno R, Hotta Y, Yamashita K, Hirata K, Yamamoto M, Narumiya S, Iwata S, Kobayashi T. Nat Chem Biol 15 8-10 (2019)
  62. Structural basis for ligand recognition of the human thromboxane A2 receptor. Fan H, Chen S, Yuan X, Han S, Zhang H, Xia W, Xu Y, Zhao Q, Wu B. Nat Chem Biol 15 27-33 (2019)
  63. Structural basis of sphingosine-1-phosphate receptor 1 activation and biased agonism. Xu Z, Ikuta T, Kawakami K, Kise R, Qian Y, Xia R, Sun MX, Zhang A, Guo C, Cai XH, Huang Z, Huang Z, Inoue A, He Y. Nat Chem Biol 18 281-288 (2022)
  64. Structure of the human angiotensin II type 1 (AT1) receptor bound to angiotensin II from multiple chemoselective photoprobe contacts reveals a unique peptide binding mode. Fillion D, Cabana J, Guillemette G, Leduc R, Lavigne P, Escher E. J Biol Chem 288 8187-8197 (2013)
  65. Bitopic Sphingosine 1-Phosphate Receptor 3 (S1P3) Antagonist Rescue from Complete Heart Block: Pharmacological and Genetic Evidence for Direct S1P3 Regulation of Mouse Cardiac Conduction. Sanna MG, Vincent KP, Repetto E, Nguyen N, Brown SJ, Abgaryan L, Riley SW, Leaf NB, Cahalan SM, Kiosses WB, Kohno Y, Brown JH, McCulloch AD, Rosen H, Gonzalez-Cabrera PJ. Mol Pharmacol 89 176-186 (2016)
  66. Exploring the free-energy landscape of GPCR activation. Alhadeff R, Vorobyov I, Yoon HW, Warshel A. Proc Natl Acad Sci U S A 115 10327-10332 (2018)
  67. Rapid evaluation of 25 key sphingolipids and phosphosphingolipids in human plasma by LC-MS/MS. Basit A, Piomelli D, Armirotti A. Anal Bioanal Chem 407 5189-5198 (2015)
  68. Structural features of the apelin receptor N-terminal tail and first transmembrane segment implicated in ligand binding and receptor trafficking. Langelaan DN, Reddy T, Banks AW, Dellaire G, Dupré DJ, Rainey JK. Biochim Biophys Acta 1828 1471-1483 (2013)
  69. Virtual screening for LPA2-specific agonists identifies a nonlipid compound with antiapoptotic actions. Kiss GN, Fells JI, Gupte R, Lee SC, Liu J, Nusser N, Lim KG, Ray RM, Lin FT, Parrill AL, Sümegi B, Miller DD, Tigyi G. Mol Pharmacol 82 1162-1173 (2012)
  70. Active Site Hydrophobicity and the Convergent Evolution of Paraoxonase Activity in Structurally Divergent Enzymes: The Case of Serum Paraoxonase 1. Blaha-Nelson D, Krüger DM, Szeler K, Ben-David M, Kamerlin SC. J Am Chem Soc 139 1155-1167 (2017)
  71. Computationally-predicted CB1 cannabinoid receptor mutants show distinct patterns of salt-bridges that correlate with their level of constitutive activity reflected in G protein coupling levels, thermal stability, and ligand binding. Ahn KH, Scott CE, Abrol R, Goddard WA, Kendall DA. Proteins 81 1304-1317 (2013)
  72. Molecular basis for dramatic changes in cannabinoid CB1 G protein-coupled receptor activation upon single and double point mutations. Scott CE, Abrol R, Ahn KH, Kendall DA, Goddard WA. Protein Sci 22 101-113 (2013)
  73. S1PR2 variants associated with auditory function in humans and endocochlear potential decline in mouse. Ingham NJ, Carlisle F, Pearson S, Lewis MA, Buniello A, Chen J, Isaacson RL, Pass J, White JK, Dawson SJ, Steel KP. Sci Rep 6 28964 (2016)
  74. Sphingosine 1-phosphate receptor 1 (S1P(1)) upregulation and amelioration of experimental autoimmune encephalomyelitis by an S1P(1) antagonist. Cahalan SM, Gonzalez-Cabrera PJ, Nguyen N, Guerrero M, Cisar EA, Leaf NB, Brown SJ, Roberts E, Rosen H. Mol Pharmacol 83 316-321 (2013)
  75. Expanding the horizons of G protein-coupled receptor structure-based ligand discovery and optimization using homology models. Cavasotto CN, Palomba D. Chem Commun (Camb) 51 13576-13594 (2015)
  76. Molecular basis of cannabinoid CB1 receptor coupling to the G protein heterotrimer Gαiβγ: identification of key CB1 contacts with the C-terminal helix α5 of Gαi. Shim JY, Ahn KH, Kendall DA. J Biol Chem 288 32449-32465 (2013)
  77. The role of Cysteine 6.47 in class A GPCRs. Olivella M, Caltabiano G, Cordomí A. BMC Struct Biol 13 3 (2013)
  78. A Ceramide-Regulated Element in the Late Endosomal Protein LAPTM4B Controls Amino Acid Transporter Interaction. Zhou K, Dichlberger A, Martinez-Seara H, Nyholm TKM, Li S, Kim YA, Vattulainen I, Ikonen E, Blom T. ACS Cent Sci 4 548-558 (2018)
  79. Modulation of constitutive activity and signaling bias of the ghrelin receptor by conformational constraint in the second extracellular loop. Mokrosiński J, Frimurer TM, Sivertsen B, Schwartz TW, Holst B. J Biol Chem 287 33488-33502 (2012)
  80. Mutation analysis and molecular modeling for the investigation of ligand-binding modes of GPR84. Nikaido Y, Koyama Y, Yoshikawa Y, Furuya T, Takeda S. J Biochem 157 311-320 (2015)
  81. Harvesting and cryo-cooling crystals of membrane proteins grown in lipidic mesophases for structure determination by macromolecular crystallography. Li D, Boland C, Aragao D, Walsh K, Caffrey M. J Vis Exp e4001 (2012)
  82. Improving the apo-state detergent stability of NTS1 with CHESS for pharmacological and structural studies. Scott DJ, Kummer L, Egloff P, Bathgate RA, Plückthun A. Biochim Biophys Acta 1838 2817-2824 (2014)
  83. Micro-pharmacokinetics: Quantifying local drug concentration at live cell membranes. Gherbi K, Briddon SJ, Charlton SJ. Sci Rep 8 3479 (2018)
  84. Structural basis of G protein-coupled receptor-Gi protein interaction: formation of the cannabinoid CB2 receptor-Gi protein complex. Mnpotra JS, Qiao Z, Cai J, Lynch DL, Grossfield A, Leioatts N, Hurst DP, Pitman MC, Song ZH, Reggio PH. J Biol Chem 289 20259-20272 (2014)
  85. Kv 11.1 (hERG)-induced cardiotoxicity: a molecular insight from a binding kinetics study of prototypical Kv 11.1 (hERG) inhibitors. Yu Z, IJzerman AP, Heitman LH. Br J Pharmacol 172 940-955 (2015)
  86. S1PR1 Tyr143 phosphorylation downregulates endothelial cell surface S1PR1 expression and responsiveness. Chavez A, Schmidt TT, Yazbeck P, Rajput C, Desai B, Sukriti S, Giantsos-Adams K, Knezevic N, Malik AB, Mehta D. J Cell Sci 128 878-887 (2015)
  87. A Molecular Mechanism for Sequential Activation of a G Protein-Coupled Receptor. Grundmann M, Tikhonova IG, Hudson BD, Smith NJ, Mohr K, Ulven T, Milligan G, Kenakin T, Kostenis E. Cell Chem Biol 23 392-403 (2016)
  88. Conopeptide ρ-TIA defines a new allosteric site on the extracellular surface of the α1B-adrenoceptor. Ragnarsson L, Wang CI, Andersson Å, Fajarningsih D, Monks T, Brust A, Rosengren KJ, Lewis RJ. J Biol Chem 288 1814-1827 (2013)
  89. Crystal structure of misoprostol bound to the labor inducer prostaglandin E2 receptor. Audet M, White KL, Breton B, Zarzycka B, Han GW, Lu Y, Gati C, Batyuk A, Popov P, Velasquez J, Manahan D, Hu H, Weierstall U, Liu W, Shui W, Katritch V, Cherezov V, Hanson MA, Stevens RC. Nat Chem Biol 15 11-17 (2019)
  90. Investigation of Inhibition Mechanism of Chemokine Receptor CCR5 by Micro-second Molecular Dynamics Simulations. Salmas RE, Yurtsever M, Durdagi S. Sci Rep 5 13180 (2015)
  91. Sample manipulation and data assembly for robust microcrystal synchrotron crystallography. Guo G, Fuchs MR, Shi W, Skinner J, Berman E, Ogata CM, Hendrickson WA, McSweeney S, Liu Q. IUCrJ 5 238-246 (2018)
  92. HDL protects against doxorubicin-induced cardiotoxicity in a scavenger receptor class B type 1-, PI3K-, and Akt-dependent manner. Durham KK, Chathely KM, Mak KC, Momen A, Thomas CT, Zhao YY, MacDonald ME, Curtis JM, Husain M, Trigatti BL. Am J Physiol Heart Circ Physiol 314 H31-H44 (2018)
  93. Comprehensive analysis of sphingosine-1-phosphate receptor mutants during zebrafish embryogenesis. Hisano Y, Inoue A, Taimatsu K, Ota S, Ohga R, Kotani H, Muraki M, Aoki J, Kawahara A. Genes Cells 20 647-658 (2015)
  94. Global fold of human cannabinoid type 2 receptor probed by solid-state 13C-, 15N-MAS NMR and molecular dynamics simulations. Kimura T, Vukoti K, Lynch DL, Hurst DP, Grossfield A, Pitman MC, Reggio PH, Yeliseev AA, Gawrisch K. Proteins 82 452-465 (2014)
  95. Importance of the second extracellular loop for melatonin MT1 receptor function and absence of melatonin binding in GPR50. Clement N, Renault N, Guillaume JL, Cecon E, Journé AS, Laurent X, Tadagaki K, Cogé F, Gohier A, Delagrange P, Chavatte P, Jockers R. Br J Pharmacol 175 3281-3297 (2018)
  96. Novel insights into CB1 cannabinoid receptor signaling: a key interaction identified between the extracellular-3 loop and transmembrane helix 2. Marcu J, Shore DM, Kapur A, Trznadel M, Makriyannis A, Reggio PH, Abood ME. J Pharmacol Exp Ther 345 189-197 (2013)
  97. Pancreatic polypeptide is recognized by two hydrophobic domains of the human Y4 receptor binding pocket. Pedragosa-Badia X, Sliwoski GR, Dong Nguyen E, Lindner D, Stichel J, Kaufmann KW, Meiler J, Beck-Sickinger AG. J Biol Chem 289 5846-5859 (2014)
  98. Pleiotropic functions of the transmembrane domain 6 of human melanocortin-4 receptor. Huang H, Tao YX. J Mol Endocrinol 49 237-248 (2012)
  99. Structural identification of lysophosphatidylcholines as activating ligands for orphan receptor GPR119. Xu P, Huang S, Guo S, Yun Y, Cheng X, He X, Cai P, Lan Y, Zhou H, Jiang H, Jiang Y, Xie X, Xu HE. Nat Struct Mol Biol 29 863-870 (2022)
  100. Structure of S1PR2-heterotrimeric G13 signaling complex. Chen H, Chen K, Huang W, Staudt LM, Cyster JG, Li X. Sci Adv 8 eabn0067 (2022)
  101. Design, Synthesis, and In Vitro and In Vivo Evaluation of an (18)F-Labeled Sphingosine 1-Phosphate Receptor 1 (S1P1) PET Tracer. Rosenberg AJ, Liu H, Jin H, Yue X, Riley S, Brown SJ, Tu Z. J Med Chem 59 6201-6220 (2016)
  102. Loop prediction for a GPCR homology model: algorithms and results. Goldfeld DA, Zhu K, Beuming T, Friesner RA. Proteins 81 214-228 (2013)
  103. Structural basis of leukotriene B4 receptor 1 activation. Wang N, He X, Zhao J, Jiang H, Cheng X, Xia Y, Eric Xu H, He Y. Nat Commun 13 1156 (2022)
  104. The G-Protein-Coupled Chemoattractant Receptor Fpr2 Exacerbates High Glucose-Mediated Proinflammatory Responses of Müller Glial Cells. Yu Y, Bao Z, Wang X, Gong W, Chen H, Guan H, Le Y, Su S, Chen K, Wang JM. Front Immunol 8 1852 (2017)
  105. Therapeutic Strategies and Pharmacological Tools Influencing S1P Signaling and Metabolism. Vogt D, Stark H. Med Res Rev 37 3-51 (2017)
  106. Chemical probes for the recognition of cannabinoid receptors in native systems. Martín-Couce L, Martín-Fontecha M, Palomares O, Mestre L, Cordomí A, Hernangomez M, Palma S, Pardo L, Guaza C, López-Rodríguez ML, Ortega-Gutiérrez S. Angew Chem Int Ed Engl 51 6896-6899 (2012)
  107. Entry from the Lipid Bilayer: A Possible Pathway for Inhibition of a Peptide G Protein-Coupled Receptor by a Lipophilic Small Molecule. Bokoch MP, Jo H, Valcourt JR, Srinivasan Y, Pan AC, Capponi S, Grabe M, Dror RO, Shaw DE, DeGrado WF, Coughlin SR. Biochemistry 57 5748-5758 (2018)
  108. Mechanism of Hormone Peptide Activation of a GPCR: Angiotensin II Activated State of AT1R Initiated by van der Waals Attraction. Singh KD, Unal H, Desnoyer R, Karnik SS. J Chem Inf Model 59 373-385 (2019)
  109. Membrane-Dependent Binding and Entry Mechanism of Dopamine into Its Receptor. Lolicato F, Juhola H, Zak A, Postila PA, Saukko A, Rissanen S, Enkavi G, Vattulainen I, Kepczynski M, Róg T. ACS Chem Neurosci 11 1914-1924 (2020)
  110. Sphingosine Kinases/Sphingosine 1-Phosphate Signaling in Hepatic Lipid Metabolism. Kwong EK, Li X, Hylemon PB, Zhou H. Curr Pharmacol Rep 3 176-183 (2017)
  111. Structural assemblies of the di- and oligomeric G-protein coupled receptor TGR5 in live cells: an MFIS-FRET and integrative modelling study. Greife A, Felekyan S, Ma Q, Gertzen CG, Spomer L, Dimura M, Peulen TO, Wöhler C, Häussinger D, Gohlke H, Keitel V, Seidel CA. Sci Rep 6 36792 (2016)
  112. A new crystal structure fragment-based pharmacophore method for G protein-coupled receptors. Fidom K, Isberg V, Hauser AS, Mordalski S, Lehto T, Bojarski AJ, Gloriam DE. Methods 71 104-112 (2015)
  113. Memo has a novel role in S1P signaling and is [corrected] crucial for vascular development. Kondo S, Bottos A, Allegood JC, Masson R, Maurer FG, Genoud C, Kaeser P, Huwiler A, Murakami M, Spiegel S, Hynes NE. PLoS One 9 e94114 (2014)
  114. Molecular insights into the dynamics of pharmacogenetically important N-terminal variants of the human β2-adrenergic receptor. Shahane G, Parsania C, Sengupta D, Joshi M. PLoS Comput Biol 10 e1004006 (2014)
  115. Sphingosine 1-Phosphate Receptor 4 Promotes Nonalcoholic Steatohepatitis by Activating NLRP3 Inflammasome. Hong CH, Ko MS, Kim JH, Cho H, Lee CH, Yoon JE, Yun JY, Baek IJ, Jang JE, Lee SE, Cho YK, Baek JY, Oh SJ, Lee BY, Lim JS, Lee J, Hartig SM, Conde de la Rosa L, Garcia-Ruiz C, Lee KU, Fernández-Checa JC, Choi JW, Kim S, Koh EH. Cell Mol Gastroenterol Hepatol 13 925-947 (2022)
  116. Structural Diversity in Conserved Regions Like the DRY-Motif among Viral 7TM Receptors-A Consequence of Evolutionary Pressure? Jensen AS, Sparre-Ulrich AH, Davis-Poynter N, Rosenkilde MM. Adv Virol 2012 231813 (2012)
  117. Structure of the active Gi-coupled human lysophosphatidic acid receptor 1 complexed with a potent agonist. Akasaka H, Tanaka T, Sano FK, Matsuzaki Y, Shihoya W, Nureki O. Nat Commun 13 5417 (2022)
  118. Towards selective lysophospholipid GPCR modulators. Archbold JK, Martin JL, Sweet MJ. Trends Pharmacol Sci 35 219-226 (2014)
  119. Vehicle-dependent Effects of Sphingosine 1-phosphate on Plasminogen Activator Inhibitor-1 Expression. Takahashi C, Kurano M, Nishikawa M, Kano K, Dohi T, Miyauchi K, Daida H, Shimizu T, Aoki J, Yatomi Y. J Atheroscler Thromb 24 954-969 (2017)
  120. Decoding Corticotropin-Releasing Factor Receptor Type 1 Crystal Structures. Dore AS, Bortolato A, Hollenstein K, Cheng RKY, Read RJ, Marshall FH. Curr Mol Pharmacol 10 334-344 (2017)
  121. Lysophospholipid G protein-coupled receptor binding parameters as determined by backscattering interferometry. Mizuno H, Kihara Y, Kussrow A, Chen A, Ray M, Rivera R, Bornhop DJ, Chun J. J Lipid Res 60 212-217 (2019)
  122. Molecular mechanism of agonism and inverse agonism in ghrelin receptor. Qin J, Cai Y, Xu Z, Ming Q, Ji SY, Wu C, Zhang H, Mao C, Shen DD, Hirata K, Ma Y, Yan W, Zhang Y, Shao Z. Nat Commun 13 300 (2022)
  123. Morpholino Analogues of Fingolimod as Novel and Selective S1P1 Ligands with In Vivo Efficacy in a Mouse Model of Experimental Antigen-Induced Encephalomyelitis. Stepanovska B, Zivkovic A, Enzmann G, Tietz S, Homann T, Kleuser B, Engelhardt B, Stark H, Huwiler A. Int J Mol Sci 21 E6463 (2020)
  124. Structural Basis of Species-Dependent Differential Affinity of 6-Alkoxy-5-Aryl-3-Pyridinecarboxamide Cannabinoid-1 Receptor Antagonists. Iyer MR, Cinar R, Liu J, Godlewski G, Szanda G, Puhl H, Ikeda SR, Deschamps J, Lee YS, Steinbach PJ, Kunos G. Mol Pharmacol 88 238-244 (2015)
  125. Structural insights into ligand recognition and activation of the melanocortin-4 receptor. Zhang H, Chen LN, Yang D, Mao C, Shen Q, Feng W, Shen DD, Dai A, Xie S, Zhou Y, Qin J, Sun JP, Scharf DH, Hou T, Zhou T, Wang MW, Zhang Y. Cell Res 31 1163-1175 (2021)
  126. Biophysical and structural investigation of bacterially expressed and engineered CCR5, a G protein-coupled receptor. Wiktor M, Morin S, Sass HJ, Kebbel F, Grzesiek S. J Biomol NMR 55 79-95 (2013)
  127. Functional fusions of T4 lysozyme in the third intracellular loop of a G protein-coupled receptor identified by a random screening approach in yeast. Mathew E, Ding FX, Naider F, Dumont ME. Protein Eng Des Sel 26 59-71 (2013)
  128. Genetic deletion of gpr27 alters acylcarnitine metabolism, insulin sensitivity, and glucose homeostasis in zebrafish. Nath AK, Ma J, Chen ZZ, Li Z, Vitery MDC, Kelley ML, Peterson RT, Gerszten RE, Yeh JJ. FASEB J 34 1546-1557 (2020)
  129. Homology modeling of a Class A GPCR in the inactive conformation: A quantitative analysis of the correlation between model/template sequence identity and model accuracy. Costanzi S, Skorski M, Deplano A, Habermehl B, Mendoza M, Wang K, Biederman M, Dawson J, Gao J. J Mol Graph Model 70 140-152 (2016)
  130. How to Choose the Suitable Template for Homology Modelling of GPCRs: 5-HT7 Receptor as a Test Case. Shahaf N, Pappalardo M, Basile L, Guccione S, Rayan A. Mol Inform 35 414-423 (2016)
  131. Insights into the Allosteric Mechanism of Setmelanotide (RM-493) as a Potent and First-in-Class Melanocortin-4 Receptor (MC4R) Agonist To Treat Rare Genetic Disorders of Obesity through an in Silico Approach. Falls BA, Zhang Y. ACS Chem Neurosci 10 1055-1065 (2019)
  132. Neuronal porosome lipidome. Lewis KT, Maddipati KR, Taatjes DJ, Jena BP. J Cell Mol Med 18 1927-1937 (2014)
  133. S1P1 receptor phosphorylation, internalization, and interaction with Rab proteins: effects of sphingosine 1-phosphate, FTY720-P, phorbol esters, and paroxetine. Martínez-Morales JC, Romero-Ávila MT, Reyes-Cruz G, García-Sáinz JA. Biosci Rep 38 BSR20181612 (2018)
  134. Sphingosine Kinases are Involved in Macrophage NLRP3 Inflammasome Transcriptional Induction. Syed SN, Weigert A, Brüne B. Int J Mol Sci 21 E4733 (2020)
  135. Structural evidence of the species-dependent albumin binding of the modified cyclic phosphatidic acid with cytotoxic properties. Sekula B, Ciesielska A, Rytczak P, Koziołkiewicz M, Bujacz A. Biosci Rep 36 e00338 (2016)
  136. A coupling of homology modeling with multiple molecular dynamics simulation for identifying representative conformation of GPCR structures: a case study on human bombesin receptor subtype-3. Nowroozi A, Shahlaei M. J Biomol Struct Dyn 35 250-272 (2017)
  137. Conformational restriction of G-proteins Coupled Receptors (GPCRs) upon complexation to G-proteins: a putative activation mode of GPCRs? Louet M, Karakas E, Perret A, Perahia D, Martinez J, Floquet N. FEBS Lett 587 2656-2661 (2013)
  138. Examining the Role of Sphingosine Kinase-2 in the Regulation of Endothelial Cell Barrier Integrity. Dimasi DP, Pitson SM, Bonder CS. Microcirculation 23 248-265 (2016)
  139. Model structures of inactive and peptide agonist bound C5aR: Insights into agonist binding, selectivity and activation. Rana S, Sahoo AR. Biochem Biophys Rep 1 85-96 (2015)
  140. Predicted 3D structures of olfactory receptors with details of odorant binding to OR1G1. Kim SK, Goddard WA. J Comput Aided Mol Des 28 1175-1190 (2014)
  141. Single-Molecule, Super-Resolution, and Functional Analysis of G Protein-Coupled Receptor Behavior Within the T Cell Immunological Synapse. Felce JH, Parolini L, Sezgin E, Céspedes PF, Korobchevskaya K, Jones M, Peng Y, Dong T, Fritzsche M, Aarts D, Frater J, Dustin ML. Front Cell Dev Biol 8 608484 (2020)
  142. Structural insights on ligand recognition at the human leukotriene B4 receptor 1. Michaelian N, Sadybekov A, Besserer-Offroy É, Han GW, Krishnamurthy H, Zamlynny BA, Fradera X, Siliphaivanh P, Presland J, Spencer KB, Soisson SM, Popov P, Sarret P, Katritch V, Cherezov V. Nat Commun 12 2971 (2021)
  143. Structure-Based Virtual Screening of Ultra-Large Library Yields Potent Antagonists for a Lipid GPCR. Sadybekov AA, Brouillette RL, Marin E, Sadybekov AV, Luginina A, Gusach A, Mishin A, Besserer-Offroy É, Longpré JM, Borshchevskiy V, Cherezov V, Sarret P, Katritch V. Biomolecules 10 E1634 (2020)
  144. Uncovering the triggers for GPCR activation using solid-state NMR spectroscopy. Kimata N, Reeves PJ, Smith SO. J Magn Reson 253 111-118 (2015)
  145. Differential contribution of sensory transient receptor potential channels in response to the bioactive lipid sphingosine-1-phosphate. Kittaka H, DeBrecht J, Mishra SK. Mol Pain 16 1744806920903515 (2020)
  146. Homology-based Modeling of Rhodopsin-like Family Members in the Inactive State: Structural Analysis and Deduction of Tips for Modeling and Optimization. Pappalardo M, Rayan M, Abu-Lafi S, Leonardi ME, Milardi D, Guccione S, Rayan A. Mol Inform 36 (2017)
  147. Identification of destabilizing and stabilizing mutations of Ste2p, a G protein-coupled receptor in Saccharomyces cerevisiae. Zuber J, Danial SA, Connelly SM, Naider F, Dumont ME. Biochemistry 54 1787-1806 (2015)
  148. Insertion of T4-lysozyme (T4L) can be a useful tool for studying olfactory-related GPCRs. Corin K, Pick H, Baaske P, Cook BL, Duhr S, Wienken CJ, Braun D, Vogel H, Zhang S. Mol Biosyst 8 1750-1759 (2012)
  149. Isoforms of protein kinase C involved in phorbol ester-induced sphingosine 1-phosphate receptor 1 phosphorylation and desensitization. Morquecho-León MA, Bazúa-Valenti S, Romero-Ávila MT, García-Sáinz JA. Biochim Biophys Acta 1843 327-334 (2014)
  150. Molecular requirements involving the human platelet protease-activated receptor-4 mechanism of activation by peptide analogues of its tethered-ligand. Moschonas IC, Kellici TF, Mavromoustakos T, Stathopoulos P, Tsikaris V, Magafa V, Tzakos AG, Tselepis AD. Platelets 28 812-821 (2017)
  151. Mutational analysis of the Aspergillus ambient pH receptor PalH underscores its potential as a target for antifungal compounds. Lucena-Agell D, Hervás-Aguilar A, Múnera-Huertas T, Pougovkina O, Rudnicka J, Galindo A, Tilburn J, Arst HN, Peñalva MA. Mol Microbiol 101 982-1002 (2016)
  152. Orthosteric binding of ρ-Da1a, a natural peptide of snake venom interacting selectively with the α1A-adrenoceptor. Maïga A, Merlin J, Marcon E, Rouget C, Larregola M, Gilquin B, Fruchart-Gaillard C, Lajeunesse E, Marchetti C, Lorphelin A, Bellanger L, Summers RJ, Hutchinson DS, Evans BA, Servent D, Gilles N. PLoS One 8 e68841 (2013)
  153. Structural basis for the binding of the membrane-proximal C-terminal region of chemokine receptor CCR2 with the cytosolic regulator FROUNT. Esaki K, Yoshinaga S, Tsuji T, Toda E, Terashima Y, Saitoh T, Kohda D, Kohno T, Osawa M, Ueda T, Shimada I, Matsushima K, Terasawa H. FEBS J 281 5552-5566 (2014)
  154. Structural basis of selective cannabinoid CB2 receptor activation. Li X, Chang H, Bouma J, de Paus LV, Mukhopadhyay P, Paloczi J, Mustafa M, van der Horst C, Kumar SS, Wu L, Yu Y, van den Berg RJBHN, Janssen APA, Lichtman A, Liu ZJ, Pacher P, van der Stelt M, Heitman LH, Hua T. Nat Commun 14 1447 (2023)
  155. Comment The Role of S1PR3 in Protection from Bacterial Sepsis. Shea BS, Opal SM. Am J Respir Crit Care Med 196 1500-1502 (2017)
  156. Comparative analysis of the heptahelical transmembrane bundles of G protein-coupled receptors. Okada T. PLoS One 7 e35802 (2012)
  157. Large multiple transmembrane domain fragments of a G protein-coupled receptor: biosynthesis, purification, and biophysical studies. Potetinova Z, Tantry S, Cohen LS, Caroccia KE, Arshava B, Becker JM, Naider F. Biopolymers 98 485-500 (2012)
  158. Molecular Dynamics Methodologies for Probing Cannabinoid Ligand/Receptor Interaction. Lynch DL, Hurst DP, Shore DM, Pitman MC, Reggio PH. Methods Enzymol 593 449-490 (2017)
  159. Preparation of purified GPCRs for structural studies. Cooke RM, Koglin M, Errey JC, Marshall FH. Biochem Soc Trans 41 185-190 (2013)
  160. Synthesis, biological activity and molecular modeling of new biphenylic carboxamides as potent and selective CB2 receptor ligands. Bertini S, Parkkari T, Savinainen JR, Arena C, Saccomanni G, Saguto S, Ligresti A, Allarà M, Bruno A, Marinelli L, Di Marzo V, Novellino E, Manera C, Macchia M. Eur J Med Chem 90 526-536 (2015)
  161. The seven pillars of molecular pharmacology: GPCR research honored with Nobel Prize for chemistry. Hausch F, Holsboer F. Angew Chem Int Ed Engl 51 12172-12175 (2012)
  162. A Novel Approach to Data Collection for Difficult Structures: Data Management for Large Numbers of Crystals with the BLEND Software. Mylona A, Carr S, Aller P, Moraes I, Treisman R, Evans G, Foadi J. Crystals (Basel) 7 242 (2017)
  163. Extracellular loop II modulates GTP sensitivity of the prostaglandin EP3 receptor. Natarajan C, Hata AN, Hamm HE, Zent R, Breyer RM. Mol Pharmacol 83 206-216 (2013)
  164. Membrane-Facilitated Receptor Access and Binding Mechanisms of Long-Acting β2-Adrenergic Receptor Agonists. Szlenk CT, Gc JB, Natesan S. Mol Pharmacol 100 406-427 (2021)
  165. Pharmacophore-Map-Pick: A Method to Generate Pharmacophore Models for All Human GPCRs. Dai SX, Li GH, Gao YD, Huang JF. Mol Inform 35 81-91 (2016)
  166. Introductory Journal Article Structures shed light on prostanoid signaling. Hollenstein K. Nat Chem Biol 15 3-5 (2019)
  167. The Effects of the Recombinant CCR5 T4 Lysozyme Fusion Protein on HIV-1 Infection. Jin Q, Chen H, Wang X, Zhao L, Xu Q, Wang H, Li G, Yang X, Ma H, Wu H, Ji X. PLoS One 10 e0131894 (2015)
  168. The allosteric inhibition of glycine transporter 2 by bioactive lipid analgesics is controlled by penetration into a deep lipid cavity. Wilson KA, Mostyn SN, Frangos ZJ, Shimmon S, Rawling T, Vandenberg RJ, O'Mara ML. J Biol Chem 296 100282 (2021)
  169. A Single Point Mutation Blocks the Entrance of Ligands to the Cannabinoid CB2 Receptor via the Lipid Bilayer. Casajuana-Martin N, Navarro G, Gonzalez A, Llinas Del Torrent C, Gómez-Autet M, Quintana García A, Franco R, Pardo L. J Chem Inf Model 62 5771-5779 (2022)
  170. Amphiphilic degradable polymers for immobilization and sustained delivery of sphingosine 1-phosphate. Zhang J, Song J. Acta Biomater 10 3079-3090 (2014)
  171. Born This Way: Using Intrinsic Disorder to Map the Connections between SLITRKs, TSHR, and Male Sexual Orientation. Basavanhally T, Fonseca R, Uversky VN. Proteomics 18 e1800307 (2018)
  172. Computational investigation on the binding modes of Rimonabant analogs with CB1 and CB2. Liu C, Yuan C, Wu P, Zhu C, Fang H, Wang L, Fu W. Chem Biol Drug Des 92 1699-1707 (2018)
  173. Databases in SenseLab for the genomics, proteomics, and function of olfactory receptors. Marenco LN, Bahl G, Hyland L, Shi J, Wang R, Lai PC, Miller PL, Shepherd GM, Crasto CJ. Methods Mol Biol 1003 3-22 (2013)
  174. Free-Energy Simulations Support a Lipophilic Binding Route for Melatonin Receptors. Elisi GM, Scalvini L, Lodola A, Mor M, Rivara S. J Chem Inf Model 62 210-222 (2022)
  175. Functional expression of human prostaglandin E2 receptor 4 (EP4) in E. coli and characterization of the binding property of EP4 with Gα proteins. Kim NH, Kim KS, Shin SC, Kim EE, Yu YG. Biochem Biophys Rep 25 100871 (2021)
  176. Inhibition of NMDA receptors through a membrane-to-channel path. Wilcox MR, Nigam A, Glasgow NG, Narangoda C, Phillips MB, Patel DS, Mesbahi-Vasey S, Turcu AL, Vázquez S, Kurnikova MG, Johnson JW. Nat Commun 13 4114 (2022)
  177. Predicted ligands for the human urotensin-II G protein-coupled receptor with some experimental validation. Kim SK, Goddard WA, Yi KY, Lee BH, Lim CJ, Trzaskowski B. ChemMedChem 9 1732-1743 (2014)
  178. Structural Characterization of an LPA1 Second Extracellular Loop Mimetic with a Self-Assembling Coiled-Coil Folding Constraint. Young JK, Clayton BT, Kikonyogo A, Pham TC, Parrill AL. Int J Mol Sci 14 2788-2807 (2013)
  179. Structure-inspired design of a sphingolipid mimic sphingosine-1-phosphate receptor agonist from a naturally occurring sphingomyelin synthase inhibitor. Swamy MMM, Murai Y, Ohno Y, Jojima K, Kihara A, Mitsutake S, Igarashi Y, Yu J, Yao M, Suga Y, Anetai M, Monde K. Chem Commun (Camb) 54 12758-12761 (2018)
  180. Synthesis of new ligands for targeting the S1P1 receptor. Schilson SS, Keul P, Shaikh RS, Schäfers M, Levkau B, Haufe G. Bioorg Med Chem 23 1011-1026 (2015)
  181. Two entry tunnels in mouse TAAR9 suggest the possibility of multi-entry tunnels in olfactory receptors. Xu Z, Guo L, Qian X, Yu C, Li S, Zhu C, Ma X, Li H, Zhu G, Zhou H, Dai W, Li Q, Gao X. Sci Rep 12 2691 (2022)
  182. Uptake of the butyrate receptors, GPR41 and GPR43, in lipidic bicontinuous cubic phases suitable for in meso crystallization. Liang YL, Conn CE, Drummond CJ, Darmanin C. J Colloid Interface Sci 441 78-84 (2015)
  183. Antiviral potency and functional analysis of tetherin orthologues encoded by horse and donkey. Yin X, Guo M, Gu Q, Wu X, Wei P, Wang X. Virol J 11 151 (2014)
  184. Chemical Proteomic Profiling of Lysophosphatidic Acid-Binding Proteins. Dong X, Gao L, Song J, Wang Y. Anal Chem 91 15365-15369 (2019)
  185. Identification of transmembrane domain 1 & 2 residues that contribute to the formation of the ligand-binding pocket of the urotensin-II receptor. Sainsily X, Cabana J, Holleran BJ, Escher E, Lavigne P, Leduc R. Biochem Pharmacol 92 280-288 (2014)
  186. Interaction With the Lipid Membrane Influences Fentanyl Pharmacology. Sutcliffe KJ, Corey RA, Alhosan N, Cavallo D, Groom S, Santiago M, Bailey C, Charlton SJ, Sessions RB, Henderson G, Kelly E. Adv Drug Alcohol Res 2 adar.2022.10280 (2022)
  187. Motions around conserved helical weak spots facilitate GPCR activation. Bibbe JM, Vriend G. Proteins 89 1577-1586 (2021)
  188. News National prescription for drug development. Wadman M. Nat Biotechnol 30 309-312 (2012)
  189. Pharmacophore-based design of novel oxadiazoles as selective sphingosine-1-phosphate (S1P) receptor agonists with in vivo efficacy. Quattropani A, Sauer WH, Sauer WH, Crosignani S, Dorbais J, Gerber P, Gonzalez J, Marin D, Muzerelle M, Beltran F, Nichols A, Georgi K, Schneider M, Vitte PA, Eligert V, Novo-Perez L, Hantson J, Nock S, Carboni S, de Souza AL, Arrighi JF, Boschert U, Bombrun A. ChemMedChem 10 688-714 (2015)
  190. Structural characterization of triple transmembrane domain containing fragments of a yeast G protein-coupled receptor in an organic : aqueous environment by solution-state NMR spectroscopy. Fracchiolla KE, Cohen LS, Arshava B, Poms M, Zerbe O, Becker JM, Naider F. J Pept Sci 21 212-222 (2015)
  191. Structure of the human P2Y₁₂ receptor in complex with an antithrombotic drug. Du B, Liu M. Sci China Life Sci 57 645-646 (2014)
  192. Tyrosine phosphorylation of S1PR1 leads to chaperone BiP-mediated import to the endoplasmic reticulum. Anwar M, Amin MR, Balaji Ragunathrao VA, Matsche J, Karginov A, Minshall RD, Mo GCH, Komarova Y, Mehta D. J Cell Biol 220 e202006021 (2021)
  193. A Novel Screening Approach for Optimal and Functional Fusion of T4 Lysozyme in GPCRs. Mathew E, Dumont ME. Methods Enzymol 557 27-43 (2015)
  194. Crosstalk between pro-survival sphingolipid metabolism and complement signaling induces inflammasome-mediated tumor metastasis. Janneh AH, Kassir MF, Atilgan FC, Lee HG, Sheridan M, Oleinik N, Szulc Z, Voelkel-Johnson C, Nguyen H, Li H, Peterson YK, Marangoni E, Saatci O, Sahin O, Lilly M, Atkinson C, Tomlinson S, Mehrotra S, Ogretmen B. Cell Rep 41 111742 (2022)
  195. Cryo-EM structures of human GPR34 enable the identification of selective antagonists. Xia A, Yong X, Zhang C, Lin G, Jia G, Zhao C, Wang X, Hao Y, Wang Y, Zhou P, Yang X, Deng Y, Wu C, Chen Y, Zhu J, Tang X, Liu J, Zhang S, Zhang J, Xu Z, Hu Q, Zhao J, Yue Y, Yan W, Su Z, Wei Y, Zhou R, Dong H, Shao Z, Yang S. Proc Natl Acad Sci U S A 120 e2308435120 (2023)
  196. Evaluation and Optimization of in silico designed Sphingosine-1-Phosphate (S1P) Receptor Subtype 1 Modulators for the Management of Multiple Sclerosis. Gusman DH, Shoemake C. Yale J Biol Med 90 15-23 (2017)
  197. Exploiting Microbeams for Membrane Protein Structure Determination. Warren AJ, Axford D, Paterson NG, Owen RL. Adv Exp Med Biol 922 105-117 (2016)
  198. Identification of potential immunomodulators from Pulsatilla decoction that act on therapeutic targets for ulcerative colitis based on pharmacological activity, absorbed ingredients, and in-silico molecular docking. Deng LR, Han Q, Zou M, Chen FJ, Huang CY, Zhong YM, Wu QY, Tomlinson B, Li YH. Chin Med 17 132 (2022)
  199. Lateral access mechanism of LPA receptor probed by molecular dynamics simulation. Suenaga R, Takemoto M, Inoue A, Ishitani R, Nureki O. PLoS One 17 e0263296 (2022)
  200. News Opioid receptors revealed. Buchen L. Nature 483 383 (2012)
  201. Small-wedge synchrotron and serial XFEL datasets for Cysteinyl leukotriene GPCRs. Marin E, Luginina A, Gusach A, Kovalev K, Bukhdruker S, Khorn P, Polovinkin V, Lyapina E, Rogachev A, Gordeliy V, Mishin A, Cherezov V, Borshchevskiy V. Sci Data 7 388 (2020)
  202. Sphingosine 1-Phosphate Metabolism and Signaling. Hu Y, Dai K. Adv Exp Med Biol 1372 67-76 (2022)
  203. Synthesis and SAR studies of benzyl ether derivatives as potent orally active S1P₁ agonists. Tsuji T, Suzuki K, Nakamura T, Goto T, Sekiguchi Y, Ikeda T, Fukuda T, Takemoto T, Mizuno Y, Kimura T, Kawase Y, Nara F, Kagari T, Shimozato T, Yahara C, Inaba S, Honda T, Izumi T, Tamura M, Nishi T. Bioorg Med Chem 22 4246-4256 (2014)
  204. The leukotriene B4 receptor BLT1 is stabilized by transmembrane helix capping mutations. Hori T, Nakamura M, Yokomizo T, Shimizu T, Miyano M. Biochem Biophys Rep 4 243-249 (2015)
  205. Exploring the molecular structures that confer ligand selectivity for galanin type II and III receptors. Lee YN, Reyes-Alcaraz A, Yun S, Lee CS, Hwang JI, Seong JY. PLoS One 15 e0230872 (2020)
  206. Late-stage optimization of a tercyclic class of S1P3-sparing, S1P1 receptor agonists. Horan JC, Kuzmich D, Liu P, DiSalvo D, Lord J, Mao C, Hopkins TD, Yu H, Harcken C, Betageri R, Hill-Drzewi M, Patenaude L, Patel M, Fletcher K, Terenzzio D, Linehan B, Xia H, Patel M, Studwell D, Miller C, Hickey E, Levin JI, Smith D, Kemper RA, Modis LK, Bannen LC, Chan DS, Mac MB, Ng S, Wang Y, Xu W, Lemieux RM. Bioorg Med Chem Lett 26 466-471 (2016)
  207. Ligand entry pathways control the chemical space recognized by GPR183. Kjær VMS, Stępniewski TM, Medel-Lacruz B, Reinmuth L, Ciba M, Rexen Ulven E, Bonomi M, Selent J, Rosenkilde MM. Chem Sci 14 10671-10683 (2023)
  208. Prediction of essential binding domains for the endocannabinoid N-arachidonoylethanolamine (AEA) in the brain cannabinoid CB1 receptor. Shim JY. PLoS One 16 e0229879 (2021)
  209. Refolding and characterization of two G protein-coupled receptors purified from E. coli inclusion bodies. Heim B, Handrick R, Hartmann MD, Kiefer H. PLoS One 16 e0247689 (2021)
  210. T4-lysozyme fusion for the production of human formyl peptide receptors for structural determination. Wang X, Cui Y, Wang J. Appl Biochem Biotechnol 172 2571-2581 (2014)


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