cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc1pvbtp
title: CCDC 1574453: Experimental Crystal Structure Determination

description: Related Article: Jin-Zhong Gu, Yan Cai, Xiao-Xiao Liang, Jiang Wu, Zi-Fa Shi, Alexander M. Kirillov|2018|CrystEngComm|20|906|doi:10.1039/C7CE02009K
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pvbvq
title: CCDC 1574454: Experimental Crystal Structure Determination

description: Related Article: Jin-Zhong Gu, Yan Cai, Xiao-Xiao Liang, Jiang Wu, Zi-Fa Shi, Alexander M. Kirillov|2018|CrystEngComm|20|906|doi:10.1039/C7CE02009K
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1jhjcx
title: CCDC 1415099: Experimental Crystal Structure Determination

description: Related Article: C. D. Polyzou, E. S. Koumousi, Z. G. Lada, C. P. Raptopoulou, V. Psycharis, M. Rouzières, A. C. Tsipis, C. Mathonière, R. Clérac, S. P. Perlepes|2017|Dalton Trans.|46|14812|doi:10.1039/C7DT02717F
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pvbwr
title: CCDC 1574455: Experimental Crystal Structure Determination

description: Related Article: Jin-Zhong Gu, Yan Cai, Xiao-Xiao Liang, Jiang Wu, Zi-Fa Shi, Alexander M. Kirillov|2018|CrystEngComm|20|906|doi:10.1039/C7CE02009K
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pvbxs
title: CCDC 1574456: Experimental Crystal Structure Determination

description: Related Article: Shoulei Li, Bin Liu, Li Chen, Xin Li, Jin-Pei Cheng|2018|Org.Chem.Front.|5|1101|doi:10.1039/C7QO01083D
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pvc2z
title: CCDC 1574461: Experimental Crystal Structure Determination

description: Related Article: Amit Delori, Ian B. Hutchison, Craig L. Bull, Nick P. Funnell, Andrew J. Urquhart, Iain D. H. Oswald|2018|Cryst.Growth Des.|18|1425|doi:10.1021/acs.cgd.7b01338
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pvc30
title: CCDC 1574462: Experimental Crystal Structure Determination

description: Related Article: Amit Delori, Ian B. Hutchison, Craig L. Bull, Nick P. Funnell, Andrew J. Urquhart, Iain D. H. Oswald|2018|Cryst.Growth Des.|18|1425|doi:10.1021/acs.cgd.7b01338
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pvc41
title: CCDC 1574463: Experimental Crystal Structure Determination

description: Related Article: Amit Delori, Ian B. Hutchison, Craig L. Bull, Nick P. Funnell, Andrew J. Urquhart, Iain D. H. Oswald|2018|Cryst.Growth Des.|18|1425|doi:10.1021/acs.cgd.7b01338
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pvc52
title: CCDC 1574464: Experimental Crystal Structure Determination

description: Related Article: Amit Delori, Ian B. Hutchison, Craig L. Bull, Nick P. Funnell, Andrew J. Urquhart, Iain D. H. Oswald|2018|Cryst.Growth Des.|18|1425|doi:10.1021/acs.cgd.7b01338
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pvc63
title: CCDC 1574465: Experimental Crystal Structure Determination

description: Related Article: Amit Delori, Ian B. Hutchison, Craig L. Bull, Nick P. Funnell, Andrew J. Urquhart, Iain D. H. Oswald|2018|Cryst.Growth Des.|18|1425|doi:10.1021/acs.cgd.7b01338
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5281/zenodo.17428514
title: Dopamine D2 Receptor isoforms heteroreceptor complexes with the Growth Hormone Secretagogue Receptor 1a reveals isoform-specific interaction interface dynamics

description: This repository contains the input files and scripts used in this study. It includes the modelled receptors (hD2SR, hD2LR, and hGHSR1a) in all-atom and coarse-grained resolution as monomers, the heteromeric structures obtained in HADDOCK, and the self-assembly arrangements used for the coarse-grained molecular dynamic (CG-MD) simulations. Also, folders with the topology for each receptor and the already prepared systems, and all the CG-MD simulations parameter files are included as well.
DOI: 10.5517/ccdc.csd.cc1pvc74
title: CCDC 1574466: Experimental Crystal Structure Determination

description: Related Article: Amit Delori, Ian B. Hutchison, Craig L. Bull, Nick P. Funnell, Andrew J. Urquhart, Iain D. H. Oswald|2018|Cryst.Growth Des.|18|1425|doi:10.1021/acs.cgd.7b01338
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5281/zenodo.17428513
title: Dopamine D2 Receptor isoforms heteroreceptor complexes with the Growth Hormone Secretagogue Receptor 1a reveals isoform-specific interaction interface dynamics

description: This repository contains the input files and scripts used in this study. It includes the modelled receptors (hD2SR, hD2LR, and hGHSR1a) in all-atom and coarse-grained resolution as monomers, the heteromeric structures obtained in HADDOCK, and the self-assembly arrangements used for the coarse-grained molecular dynamic (CG-MD) simulations. Also, folders with the topology for each receptor and the already prepared systems, and all the CG-MD simulations parameter files are included as well.
DOI: 10.5517/ccdc.csd.cc1pvc85
title: CCDC 1574467: Experimental Crystal Structure Determination

description: Related Article: Amit Delori, Ian B. Hutchison, Craig L. Bull, Nick P. Funnell, Andrew J. Urquhart, Iain D. H. Oswald|2018|Cryst.Growth Des.|18|1425|doi:10.1021/acs.cgd.7b01338
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pvc96
title: CCDC 1574468: Experimental Crystal Structure Determination

description: Related Article: Amit Delori, Ian B. Hutchison, Craig L. Bull, Nick P. Funnell, Andrew J. Urquhart, Iain D. H. Oswald|2018|Cryst.Growth Des.|18|1425|doi:10.1021/acs.cgd.7b01338
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pvcb7
title: CCDC 1574469: Experimental Crystal Structure Determination

description: Related Article: Amit Delori, Ian B. Hutchison, Craig L. Bull, Nick P. Funnell, Andrew J. Urquhart, Iain D. H. Oswald|2018|Cryst.Growth Des.|18|1425|doi:10.1021/acs.cgd.7b01338
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pvcc8
title: CCDC 1574470: Experimental Crystal Structure Determination

description: Related Article: Amit Delori, Ian B. Hutchison, Craig L. Bull, Nick P. Funnell, Andrew J. Urquhart, Iain D. H. Oswald|2018|Cryst.Growth Des.|18|1425|doi:10.1021/acs.cgd.7b01338
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pvcd9
title: CCDC 1574471: Experimental Crystal Structure Determination

description: Related Article: Amit Delori, Ian B. Hutchison, Craig L. Bull, Nick P. Funnell, Andrew J. Urquhart, Iain D. H. Oswald|2018|Cryst.Growth Des.|18|1425|doi:10.1021/acs.cgd.7b01338
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pvcfb
title: CCDC 1574472: Experimental Crystal Structure Determination

description: Related Article: Amit Delori, Ian B. Hutchison, Craig L. Bull, Nick P. Funnell, Andrew J. Urquhart, Iain D. H. Oswald|2018|Cryst.Growth Des.|18|1425|doi:10.1021/acs.cgd.7b01338
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pvcgc
title: CCDC 1574473: Experimental Crystal Structure Determination

description: Related Article: Amit Delori, Ian B. Hutchison, Craig L. Bull, Nick P. Funnell, Andrew J. Urquhart, Iain D. H. Oswald|2018|Cryst.Growth Des.|18|1425|doi:10.1021/acs.cgd.7b01338
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pvchd
title: CCDC 1574474: Experimental Crystal Structure Determination

description: Related Article: Krishna N. Tripathi,  Devalina Ray and Ravi P. Singh|2017|Eur.J.Org.Chem.|2017|5809|doi:10.1002/ejoc.201700929
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pvcjf
title: CCDC 1574475: Experimental Crystal Structure Determination

description: Related Article: Jamie A. Leitch, Callum J. Heron, Janette McKnight, Gabriele Kociok-Köhn, Yunas Bhonoah, Christopher G. Frost|2017|Chem.Commun.|53|13039|doi:10.1039/C7CC07606A
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pvckg
title: CCDC 1574476: Experimental Crystal Structure Determination

description: Related Article: Haiying Wang, Bo Zhang, Xuechao Yan, Shuai Guo|2018|Dalton Trans.|47|528|doi:10.1039/C7DT03687F
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pvd20
title: CCDC 1574492: Experimental Crystal Structure Determination

description: Related Article: Victor Ovcharenko, Olga Kuznetsova, Elena Fursova, Gleb Letyagin, Galina Romanenko, Artem Bogomyakov, Ekaterina Zueva|2017|Inorg.Chem.|56|14567|doi:10.1021/acs.inorgchem.7b02308
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pvd75
title: CCDC 1574497: Experimental Crystal Structure Determination

description: Related Article: Victor Ovcharenko, Olga Kuznetsova, Elena Fursova, Gleb Letyagin, Galina Romanenko, Artem Bogomyakov, Ekaterina Zueva|2017|Inorg.Chem.|56|14567|doi:10.1021/acs.inorgchem.7b02308
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pvd97
title: CCDC 1574499: Experimental Crystal Structure Determination

description: Related Article: Victor Ovcharenko, Olga Kuznetsova, Elena Fursova, Gleb Letyagin, Galina Romanenko, Artem Bogomyakov, Ekaterina Zueva|2017|Inorg.Chem.|56|14567|doi:10.1021/acs.inorgchem.7b02308
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pvdgd
title: CCDC 1574504: Experimental Crystal Structure Determination

description: Related Article: Victor Ovcharenko, Olga Kuznetsova, Elena Fursova, Gleb Letyagin, Galina Romanenko, Artem Bogomyakov, Ekaterina Zueva|2017|Inorg.Chem.|56|14567|doi:10.1021/acs.inorgchem.7b02308
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pvdhf
title: CCDC 1574505: Experimental Crystal Structure Determination

description: Related Article: Victor Ovcharenko, Olga Kuznetsova, Elena Fursova, Gleb Letyagin, Galina Romanenko, Artem Bogomyakov, Ekaterina Zueva|2017|Inorg.Chem.|56|14567|doi:10.1021/acs.inorgchem.7b02308
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pvcmj
title: CCDC 1574478: Experimental Crystal Structure Determination

description: Related Article: Rosinda Fuentes Pineda, Joel Troughton, Miquel Planells, Irene Sanchez-Molina Santos, Farmin Muhith, Gary S. Nichol, Saif Haque, Trystan Watson, Neil Robertson|2018|Phys.Chem.Chem.Phys.(PCCP)|20|1252|doi:10.1039/C7CP07682G
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pvdkh
title: CCDC 1574507: Experimental Crystal Structure Determination

description: Related Article: Victor Ovcharenko, Olga Kuznetsova, Elena Fursova, Gleb Letyagin, Galina Romanenko, Artem Bogomyakov, Ekaterina Zueva|2017|Inorg.Chem.|56|14567|doi:10.1021/acs.inorgchem.7b02308
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pvcnk
title: CCDC 1574479: Experimental Crystal Structure Determination

description: Related Article: Rosinda Fuentes Pineda, Joel Troughton, Miquel Planells, Irene Sanchez-Molina Santos, Farmin Muhith, Gary S. Nichol, Saif Haque, Trystan Watson, Neil Robertson|2018|Phys.Chem.Chem.Phys.(PCCP)|20|1252|doi:10.1039/C7CP07682G
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pvdmk
title: CCDC 1574509: Experimental Crystal Structure Determination

description: Related Article: Norbert Szimhardt, Jörg Stierstorfer|2018|Chem.-Eur.J.|24|2687|doi:10.1002/chem.201705030
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.15468/dl.xp5gjn
title: Occurrence Download

description: A dataset containing 193 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Icelus cataphractus (Pavlenko, 1910)",
 "Geometry POLYGON((170 20, 170 50, 120 50, 120 20, 170 20))",
 "HasCoordinate is true"
 ]
}

 The dataset includes 193 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0016736-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.duuk8f
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Agonocottus cataphractus Pavlenko, 1910",
 "Geometry POLYGON((170 20, 170 50, 120 50, 120 20, 170 20))",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0016737-241126133413365/datasets/export for details.
DOI: 10.6084/m9.figshare.27959733
title: Supplementary Material for: Hypothyroidism promotes microglia M1 polarization by inhibiting BDNF-promoted PI3K-Akt signaling pathway

description: Hypothyroidism greatly affects the health­related quality of patients’ life, and microglia in brain have essential functions on neurodegeneration, but the underlying link between hypothyroidism and microglia function is largely ambiguous. 
Methods: Methimazole-induced mice was used to construct hypothyroidism model and explore the polarization of microglia. Lipopolysaccharide (LPS)-treated BV2 cells were used to investigate the effecting factors on microglia M1 polarization. Finally, global transcriptome sequencing (RNA-seq) was utilized to identify the underlying regulatory mechanisms. 
Results: The biomarkers of microglia M1 polarization and pro-inflammatory cytokines were significantly increased in hypothyroidism mice brain; hypothyroidism could also repress the expression of BDNF and TrkB, and the anti-inflammatory cytokine such as IL-10. In BV2 cells, LPS treatment decreased expression of BDNF, IL-10, and Arg1, while BDNF overexpression (BDNF-OE) significantly reversed the inflammation-induced by LPS by repressing iNOS and TNF-α, while increasing IL-10 and Arg1. RNA-seq analysis demonstrated that in LPS-treated BV2 cells, BDNF-OE significantly altered expression pattern of genes involved in PI3K-Akt signaling pathway, including the upregulated Thbs3, Myc, Gdnf, Thbs1, and Ccnd1, and the downregulated Gnb4, Fgf22, Pik3r3, Pgf, Cdkn1a, and Pdgfra. Myc, Gdnf, Thbs1, and Ccnd1 showed much higher expression levels than other genes in PI3K-Akt signaling pathway. 
Conclusions: Our study demonstrated a sound conclusion that hypothyroidism promotes microglia M1 polarization by inhibiting BDNF-activated PI3K-Akt signaling pathway in brain, which could serve as a promising therapeutic target for microglia-induced neurodegenerative or emotional disorders in future.