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GPCRdb in 2018: adding GPCR structure models and ligands

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Standard

GPCRdb in 2018 : adding GPCR structure models and ligands. / Pándy-Szekeres, Gáspár; Munk, Christian; Tsonkov, Tsonko M; Mordalski, Stefan; Harpsøe, Kasper; Hauser, Alexander S; Bojarski, Andrzej J; Gloriam, David E.

In: Nucleic Acids Research, Vol. 46, No. D1, gkx1109, 2018.

Research output: Contribution to journalJournal articleResearchpeer-review

Harvard

Pándy-Szekeres, G, Munk, C, Tsonkov, TM, Mordalski, S, Harpsøe, K, Hauser, AS, Bojarski, AJ & Gloriam, DE 2018, 'GPCRdb in 2018: adding GPCR structure models and ligands', Nucleic Acids Research, vol. 46, no. D1, gkx1109. https://doi.org/10.1093/nar/gkx1109

APA

Pándy-Szekeres, G., Munk, C., Tsonkov, T. M., Mordalski, S., Harpsøe, K., Hauser, A. S., ... Gloriam, D. E. (2018). GPCRdb in 2018: adding GPCR structure models and ligands. Nucleic Acids Research, 46(D1), [gkx1109]. https://doi.org/10.1093/nar/gkx1109

Vancouver

Pándy-Szekeres G, Munk C, Tsonkov TM, Mordalski S, Harpsøe K, Hauser AS et al. GPCRdb in 2018: adding GPCR structure models and ligands. Nucleic Acids Research. 2018;46(D1). gkx1109. https://doi.org/10.1093/nar/gkx1109

Author

Pándy-Szekeres, Gáspár ; Munk, Christian ; Tsonkov, Tsonko M ; Mordalski, Stefan ; Harpsøe, Kasper ; Hauser, Alexander S ; Bojarski, Andrzej J ; Gloriam, David E. / GPCRdb in 2018 : adding GPCR structure models and ligands. In: Nucleic Acids Research. 2018 ; Vol. 46, No. D1.

Bibtex

@article{d1933ffe4f454b028d94dbbe93675a46,
title = "GPCRdb in 2018: adding GPCR structure models and ligands",
abstract = "G protein-coupled receptors are the most abundant mediators of both human signalling processes and therapeutic effects. Herein, we report GPCRome-wide homology models of unprecedented quality, and roughly 150 000 GPCR ligands with data on biological activities and commercial availability. Based on the strategy of 'Less model - more Xtal', each model exploits both a main template and alternative local templates. This achieved higher similarity to new structures than any of the existing resources, and refined crystal structures with missing or distorted regions. Models are provided for inactive, intermediate and active states-except for classes C and F that so far only have inactive templates. The ligand database has separate browsers for: (i) target selection by receptor, family or class, (ii) ligand filtering based on cross-experiment activities (min, max and mean) or chemical properties, (iii) ligand source data and (iv) commercial availability. SMILES structures and activity spreadsheets can be downloaded for further processing. Furthermore, three recent landmark publications on GPCR drugs, G protein selectivity and genetic variants have been accompanied with resources that now let readers view and analyse the findings themselves in GPCRdb. Altogether, this update will enable scientific investigation for the wider GPCR community. GPCRdb is available at http://www.gpcrdb.org.",
keywords = "Journal Article",
author = "G{\'a}sp{\'a}r P{\'a}ndy-Szekeres and Christian Munk and Tsonkov, {Tsonko M} and Stefan Mordalski and Kasper Harps{\o}e and Hauser, {Alexander S} and Bojarski, {Andrzej J} and Gloriam, {David E}",
note = "{\circledC} The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.",
year = "2018",
doi = "10.1093/nar/gkx1109",
language = "English",
volume = "46",
journal = "Nucleic Acids Research",
issn = "0305-1048",
publisher = "Oxford University Press",
number = "D1",

}

RIS

TY - JOUR

T1 - GPCRdb in 2018

T2 - Nucleic Acids Research

AU - Pándy-Szekeres, Gáspár

AU - Munk, Christian

AU - Tsonkov, Tsonko M

AU - Mordalski, Stefan

AU - Harpsøe, Kasper

AU - Hauser, Alexander S

AU - Bojarski, Andrzej J

AU - Gloriam, David E

N1 - © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

PY - 2018

Y1 - 2018

N2 - G protein-coupled receptors are the most abundant mediators of both human signalling processes and therapeutic effects. Herein, we report GPCRome-wide homology models of unprecedented quality, and roughly 150 000 GPCR ligands with data on biological activities and commercial availability. Based on the strategy of 'Less model - more Xtal', each model exploits both a main template and alternative local templates. This achieved higher similarity to new structures than any of the existing resources, and refined crystal structures with missing or distorted regions. Models are provided for inactive, intermediate and active states-except for classes C and F that so far only have inactive templates. The ligand database has separate browsers for: (i) target selection by receptor, family or class, (ii) ligand filtering based on cross-experiment activities (min, max and mean) or chemical properties, (iii) ligand source data and (iv) commercial availability. SMILES structures and activity spreadsheets can be downloaded for further processing. Furthermore, three recent landmark publications on GPCR drugs, G protein selectivity and genetic variants have been accompanied with resources that now let readers view and analyse the findings themselves in GPCRdb. Altogether, this update will enable scientific investigation for the wider GPCR community. GPCRdb is available at http://www.gpcrdb.org.

AB - G protein-coupled receptors are the most abundant mediators of both human signalling processes and therapeutic effects. Herein, we report GPCRome-wide homology models of unprecedented quality, and roughly 150 000 GPCR ligands with data on biological activities and commercial availability. Based on the strategy of 'Less model - more Xtal', each model exploits both a main template and alternative local templates. This achieved higher similarity to new structures than any of the existing resources, and refined crystal structures with missing or distorted regions. Models are provided for inactive, intermediate and active states-except for classes C and F that so far only have inactive templates. The ligand database has separate browsers for: (i) target selection by receptor, family or class, (ii) ligand filtering based on cross-experiment activities (min, max and mean) or chemical properties, (iii) ligand source data and (iv) commercial availability. SMILES structures and activity spreadsheets can be downloaded for further processing. Furthermore, three recent landmark publications on GPCR drugs, G protein selectivity and genetic variants have been accompanied with resources that now let readers view and analyse the findings themselves in GPCRdb. Altogether, this update will enable scientific investigation for the wider GPCR community. GPCRdb is available at http://www.gpcrdb.org.

KW - Journal Article

U2 - 10.1093/nar/gkx1109

DO - 10.1093/nar/gkx1109

M3 - Journal article

VL - 46

JO - Nucleic Acids Research

JF - Nucleic Acids Research

SN - 0305-1048

IS - D1

M1 - gkx1109

ER -

ID: 186872018