메뉴 건너뛰기




Volumn 30, Issue , 2016, Pages 51-58

Integrating structural and mutagenesis data to elucidate GPCR ligand binding

Author keywords

[No Author keywords available]

Indexed keywords

CORTICOTROPIN RELEASING FACTOR ANTAGONIST; CP 376395; FASIGLIFAM; G PROTEIN COUPLED RECEPTOR; GLUCAGON RECEPTOR ANTAGONIST; LIGAND; LY 2119620; MAVOGLURANT; MK 0893; MUSCARINIC M2 RECEPTOR AGONIST; UNCLASSIFIED DRUG; DRUG; PROTEIN BINDING;

EID: 84979780638     PISSN: 14714892     EISSN: 14714973     Source Type: Journal    
DOI: 10.1016/j.coph.2016.07.003     Document Type: Review
Times cited : (48)

References (51)
  • 2
    • 1842464122 scopus 로고    scopus 로고
    • Genes and ligands for odorant, vomeronasal and taste receptors
    • 2 Mombaerts, P., Genes and ligands for odorant, vomeronasal and taste receptors. Nat Rev Neurosci 5 (2004), 263–278.
    • (2004) Nat Rev Neurosci , vol.5 , pp. 263-278
    • Mombaerts, P.1
  • 3
    • 84976865494 scopus 로고    scopus 로고
    • The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands
    • New release of the IUPHAR/BPS Guide to Pharmacology database containing more than 1300 protein targets and 6000 ligands.
    • 3• Southan, C., Sharman, J.L., Benson, H.E., Faccenda, E., Pawson, A.J., Alexander, S.P., Buneman, O.P., Davenport, A.P., McGrath, J.C., Peters, J.A., et al. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. Nucleic Acids Res 44 (2016), D1054–D1068 New release of the IUPHAR/BPS Guide to Pharmacology database containing more than 1300 protein targets and 6000 ligands.
    • (2016) Nucleic Acids Res , vol.44 , pp. D1054-D1068
    • Southan, C.1    Sharman, J.L.2    Benson, H.E.3    Faccenda, E.4    Pawson, A.J.5    Alexander, S.P.6    Buneman, O.P.7    Davenport, A.P.8    McGrath, J.C.9    Peters, J.A.10
  • 4
    • 84891751622 scopus 로고    scopus 로고
    • The druggable genome: evaluation of drug targets in clinical trials suggests major shifts in molecular class and indication
    • 4 Rask-Andersen, M., Masuram, S., Schioth, H.B., The druggable genome: evaluation of drug targets in clinical trials suggests major shifts in molecular class and indication. Annu Rev Pharmacol Toxicol 54 (2014), 9–26.
    • (2014) Annu Rev Pharmacol Toxicol , vol.54 , pp. 9-26
    • Rask-Andersen, M.1    Masuram, S.2    Schioth, H.B.3
  • 5
    • 84873685831 scopus 로고    scopus 로고
    • Molecular signatures of G-protein-coupled receptors
    • A comprehensive GPCR structure comparison revealing ligand and (active) fold-stabilising interactions.
    • 5•• Venkatakrishnan, A.J., Deupi, X., Lebon, G., Tate, C.G., Schertler, G.F., Babu, M.M., Molecular signatures of G-protein-coupled receptors. Nature 494 (2013), 185–194 A comprehensive GPCR structure comparison revealing ligand and (active) fold-stabilising interactions.
    • (2013) Nature , vol.494 , pp. 185-194
    • Venkatakrishnan, A.J.1    Deupi, X.2    Lebon, G.3    Tate, C.G.4    Schertler, G.F.5    Babu, M.M.6
  • 6
    • 84898901491 scopus 로고    scopus 로고
    • Unifying family A GPCR theories of activation
    • Structural analysis of active-inactive GPCR pairs unifying class A GPCR activation theories around a conserved central hydrophobic core.
    • 6• Tehan, B.G., Bortolato, A., Blaney, F.E., Weir, M.P., Mason, J.S., Unifying family A GPCR theories of activation. Pharmacol Ther 143 (2014), 51–60 Structural analysis of active-inactive GPCR pairs unifying class A GPCR activation theories around a conserved central hydrophobic core.
    • (2014) Pharmacol Ther , vol.143 , pp. 51-60
    • Tehan, B.G.1    Bortolato, A.2    Blaney, F.E.3    Weir, M.P.4    Mason, J.S.5
  • 7
    • 84872221774 scopus 로고    scopus 로고
    • Structure–function of the G protein-coupled receptor superfamily
    • 7 Katritch, V., Cherezov, V., Stevens, R.C., Structure–function of the G protein-coupled receptor superfamily. Annu Rev Pharmacol Toxicol 53 (2013), 531–556.
    • (2013) Annu Rev Pharmacol Toxicol , vol.53 , pp. 531-556
    • Katritch, V.1    Cherezov, V.2    Stevens, R.C.3
  • 8
    • 84947032095 scopus 로고    scopus 로고
    • Structures of G protein-coupled receptors reveal new opportunities for drug discovery
    • Recent review the structural information on GPCR ligand binding sites, and implications to pharmacology and drug discovery.
    • 8•• Cooke, R.M., Brown, A.J., Marshall, F.H., Mason, J.S., Structures of G protein-coupled receptors reveal new opportunities for drug discovery. Drug Discov Today 20 (2015), 1355–1364 Recent review the structural information on GPCR ligand binding sites, and implications to pharmacology and drug discovery.
    • (2015) Drug Discov Today , vol.20 , pp. 1355-1364
    • Cooke, R.M.1    Brown, A.J.2    Marshall, F.H.3    Mason, J.S.4
  • 9
    • 84976904319 scopus 로고    scopus 로고
    • GPCRdb: an information system for G protein-coupled receptors
    • Introduction, how to and tools for generic residue numbering within and across the GPCR classes, and a solution for transmembrane helix bulges and constrictions.
    • 9• Isberg, V., Mordalski, S., Munk, C., Rataj, K., Harpsoe, K., Hauser, A.S., Vroling, B., Bojarski, A.J., Vriend, G., Gloriam, D.E., GPCRdb: an information system for G protein-coupled receptors. Nucleic Acids Res 44 (2016), D356–D364 Introduction, how to and tools for generic residue numbering within and across the GPCR classes, and a solution for transmembrane helix bulges and constrictions.
    • (2016) Nucleic Acids Res , vol.44 , pp. D356-D364
    • Isberg, V.1    Mordalski, S.2    Munk, C.3    Rataj, K.4    Harpsoe, K.5    Hauser, A.S.6    Vroling, B.7    Bojarski, A.J.8    Vriend, G.9    Gloriam, D.E.10
  • 14
    • 84941578608 scopus 로고    scopus 로고
    • Selective negative allosteric modulation of metabotropic glutamate receptors — a structural perspective of ligands and mutants
    • 14 Harpsoe, K., Isberg, V., Tehan, B.G., Weiss, D., Arsova, A., Marshall, F.H., Brauner-Osborne, H., Gloriam, D.E., Selective negative allosteric modulation of metabotropic glutamate receptors — a structural perspective of ligands and mutants. Sci Rep, 5, 2015, 13869.
    • (2015) Sci Rep , vol.5 , pp. 13869
    • Harpsoe, K.1    Isberg, V.2    Tehan, B.G.3    Weiss, D.4    Arsova, A.5    Marshall, F.H.6    Brauner-Osborne, H.7    Gloriam, D.E.8
  • 24
    • 1542379652 scopus 로고    scopus 로고
    • Evolutionary trace of G protein-coupled receptors reveals clusters of residues that determine global and class-specific functions
    • 24 Madabushi, S., Gross, A.K., Philippi, A., Meng, E.C., Wensel, T.G., Lichtarge, O., Evolutionary trace of G protein-coupled receptors reveals clusters of residues that determine global and class-specific functions. J Biol Chem 279 (2004), 8126–8132.
    • (2004) J Biol Chem , vol.279 , pp. 8126-8132
    • Madabushi, S.1    Gross, A.K.2    Philippi, A.3    Meng, E.C.4    Wensel, T.G.5    Lichtarge, O.6
  • 25
    • 0029919840 scopus 로고    scopus 로고
    • Molecular architecture of G protein-coupled receptors
    • 25 van Rhee, A.M., Jacobson, K.A., Molecular architecture of G protein-coupled receptors. Drug Dev Res 37 (1996), 1–38.
    • (1996) Drug Dev Res , vol.37 , pp. 1-38
    • van Rhee, A.M.1    Jacobson, K.A.2
  • 29
    • 84868014906 scopus 로고    scopus 로고
    • Automated extraction and semantic analysis of mutation impacts from the biomedical literature
    • 29 Naderi, N., Witte, R., Automated extraction and semantic analysis of mutation impacts from the biomedical literature. BMC Genomics, 13, 2012, S10.
    • (2012) BMC Genomics , vol.13 , pp. S10
    • Naderi, N.1    Witte, R.2
  • 31
    • 84899023925 scopus 로고    scopus 로고
    • A minimal ligand binding pocket within a network of correlated mutations identified by multiple sequence and structural analysis of G protein coupled receptors
    • 31 Moitra, S., Tirupula, K.C., Klein-Seetharaman, J., Langmead, C.J., A minimal ligand binding pocket within a network of correlated mutations identified by multiple sequence and structural analysis of G protein coupled receptors. BMC Biophys, 5, 2012, 13.
    • (2012) BMC Biophys , vol.5 , pp. 13
    • Moitra, S.1    Tirupula, K.C.2    Klein-Seetharaman, J.3    Langmead, C.J.4
  • 32
    • 84962054908 scopus 로고    scopus 로고
    • Intramolecular allosteric communication in dopamine D2 receptor revealed by evolutionary amino acid covariation
    • 32 Sung, Y.M., Wilkins, A.D., Rodriguez, G.J., Wensel, T.G., Lichtarge, O., Intramolecular allosteric communication in dopamine D2 receptor revealed by evolutionary amino acid covariation. Proc Natl Acad Sci U S A, 2016.
    • (2016) Proc Natl Acad Sci U S A
    • Sung, Y.M.1    Wilkins, A.D.2    Rodriguez, G.J.3    Wensel, T.G.4    Lichtarge, O.5
  • 33
    • 77952356281 scopus 로고    scopus 로고
    • Evolution-guided discovery and recoding of allosteric pathway specificity determinants in psychoactive bioamine receptors
    • 33 Rodriguez, G.J., Yao, R., Lichtarge, O., Wensel, T.G., Evolution-guided discovery and recoding of allosteric pathway specificity determinants in psychoactive bioamine receptors. Proc Natl Acad Sci U S A 107 (2010), 7787–7792.
    • (2010) Proc Natl Acad Sci U S A , vol.107 , pp. 7787-7792
    • Rodriguez, G.J.1    Yao, R.2    Lichtarge, O.3    Wensel, T.G.4
  • 34
    • 84921915382 scopus 로고    scopus 로고
    • Determinants of endogenous ligand specificity divergence among metabotropic glutamate receptors
    • 34 Kang, H.J., Wilkins, A.D., Lichtarge, O., Wensel, T.G., Determinants of endogenous ligand specificity divergence among metabotropic glutamate receptors. J Biol Chem 290 (2015), 2870–2880.
    • (2015) J Biol Chem , vol.290 , pp. 2870-2880
    • Kang, H.J.1    Wilkins, A.D.2    Lichtarge, O.3    Wensel, T.G.4
  • 35
  • 37
    • 0037007465 scopus 로고    scopus 로고
    • Origin of the different strengths of the (i,i+4) and (i,i+3) leucine pair interactions in helices
    • 37 Luo, P., Baldwin, R.L., Origin of the different strengths of the (i,i+4) and (i,i+3) leucine pair interactions in helices. Biophys Chem 96 (2002), 103–108.
    • (2002) Biophys Chem , vol.96 , pp. 103-108
    • Luo, P.1    Baldwin, R.L.2
  • 38
    • 67650753759 scopus 로고    scopus 로고
    • Definition of the G protein-coupled receptor transmembrane bundle binding pocket and calculation of receptor similarities for drug design
    • 38 Gloriam, D.E., Foord, S.M., Blaney, F.E., Garland, S.L., Definition of the G protein-coupled receptor transmembrane bundle binding pocket and calculation of receptor similarities for drug design. J Med Chem 52 (2009), 4429–4442.
    • (2009) J Med Chem , vol.52 , pp. 4429-4442
    • Gloriam, D.E.1    Foord, S.M.2    Blaney, F.E.3    Garland, S.L.4
  • 40
    • 84892401045 scopus 로고    scopus 로고
    • Structure-based drug design for G protein-coupled receptors
    • 40 Congreve, M., Dias, J.M., Marshall, F.H., Structure-based drug design for G protein-coupled receptors. Prog Med Chem 53 (2014), 1–63.
    • (2014) Prog Med Chem , vol.53 , pp. 1-63
    • Congreve, M.1    Dias, J.M.2    Marshall, F.H.3
  • 43
    • 84927740634 scopus 로고    scopus 로고
    • A new crystal structure fragment-based pharmacophore method for G protein-coupled receptors
    • 43 Fidom, K., Isberg, V., Hauser, A.S., Mordalski, S., Lehto, T., Bojarski, A.J., Gloriam, D.E., A new crystal structure fragment-based pharmacophore method for G protein-coupled receptors. Methods 71 (2015), 104–112.
    • (2015) Methods , vol.71 , pp. 104-112
    • Fidom, K.1    Isberg, V.2    Hauser, A.S.3    Mordalski, S.4    Lehto, T.5    Bojarski, A.J.6    Gloriam, D.E.7
  • 44
    • 67349088738 scopus 로고    scopus 로고
    • Community-wide assessment of GPCR structure modelling and ligand docking: GPCR Dock 2008
    • 44 Michino, M., Abola, E., Brooks, C.L., 3rd, Dixon, J.S., Moult, J., Stevens, R.C., Community-wide assessment of GPCR structure modelling and ligand docking: GPCR Dock 2008. Nat Rev Drug Discov 8 (2009), 455–463.
    • (2009) Nat Rev Drug Discov , vol.8 , pp. 455-463
    • Michino, M.1    Abola, E.2    Brooks, C.L.3    3rd4    Dixon, J.S.5    Moult, J.6    Stevens, R.C.7
  • 45
    • 80051521545 scopus 로고    scopus 로고
    • Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment
    • 45 Kufareva, I., Rueda, M., Katritch, V., Stevens, R.C., Abagyan, R., Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment. Structure 19 (2011), 1108–1126.
    • (2011) Structure , vol.19 , pp. 1108-1126
    • Kufareva, I.1    Rueda, M.2    Katritch, V.3    Stevens, R.C.4    Abagyan, R.5
  • 46
    • 84905732337 scopus 로고    scopus 로고
    • Advances in GPCR modeling evaluated by the GPCR Dock 2013 assessment: meeting new challenges
    • GPCR–ligand complex modelling competition yielding high accuracy for close homology targets, and correct fold for distant homology targets.
    • 46• Kufareva, I., Katritch, V.Participants of GD, Stevens, R.C., Abagyan, R., Advances in GPCR modeling evaluated by the GPCR Dock 2013 assessment: meeting new challenges. Structure 22 (2014), 1120–1139 GPCR–ligand complex modelling competition yielding high accuracy for close homology targets, and correct fold for distant homology targets.
    • (2014) Structure , vol.22 , pp. 1120-1139
    • Kufareva, I.1    Katritch, V.2    Stevens, R.C.3    Abagyan, R.4
  • 49
  • 51
    • 84876197291 scopus 로고    scopus 로고
    • Crystal structure of oligomeric beta1-adrenergic G protein-coupled receptors in ligand-free basal state
    • 51 Huang, J., Chen, S., Zhang, J.J., Huang, X.Y., Crystal structure of oligomeric beta1-adrenergic G protein-coupled receptors in ligand-free basal state. Nat Struct Mol Biol 20 (2013), 419–425.
    • (2013) Nat Struct Mol Biol , vol.20 , pp. 419-425
    • Huang, J.1    Chen, S.2    Zhang, J.J.3    Huang, X.Y.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.