cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.4225/08/5af12113f30fe
title: Parkes observations for project P892 semester 2018APRS_BPSR_04

description: SUPERBx looks at the highest Galactic latitudes in a search for pulsars and fast radio bursts (FRBs). We use optimised GPU codes and supercomputing to search for these, making discoveries in real time. Handling our data as it comes in is essential for the SKA Phase I era so this work applies directly to the high-data rates of next generation telescopes. Our pulsar discoveries are typically nearby scintillating sources, intermittent sources and those in interesting binary systems. Our FRB discoveries have discovery lags of ~1 second, rather than months/years and these feed rapid alerts to the world-wide follow-up community via a dedicated VOEvent format an Astronomer's Telegrams. The goal of this is to allow localisation of the discovered FRBs. This is key for identifying FRB host galaxies, so as to solve the mystery of their progenitors and to exploit their many uses as tools for precision cosmology measurements.
DOI: 10.4225/25/5af1245e558a8
title: Digital Earth Australia Program Roadmap

description: The Digital Earth Australia (DEA) Program Roadmap describes the high level work plan to be undertaken by the DEA Program in order to achieve its objectives and deliver benefits to the Australian Government and industry.
DOI: 10.17632/v2m2njpznr.2
title: Data for: Quality reference values and background concentrations of potentially toxic elements in soils from Eastern Amazon, Brazil

description: Background concentration of As, Ba, Cu, Cd, Cr, Mn, Mo, Ni, Pb, and Zn in the soils samples from Pará state in both the surface and subsurface layers.
DOI: 10.15468/em7alc
title: Revision of Anisepyris Kieffer (Hymenoptera, Bethylidae), with description of 135 new species

description: This dataset contains the digitized treatments in Plazi based on the original journal article Barbosa, Diego N., Azevedo, Celso O. (2018): Revision of Anisepyris Kieffer (Hymenoptera, Bethylidae), with description of 135 new species. Zootaxa 4416 (1): 1-258, DOI: https://doi.org/10.11646/zootaxa.4416.1.1
DOI: 10.15139/s3/9py8fh
title: Replication Data for: Modeling Heterogeneity in Pooled Event History Analysis
DOI: 10.17632/jhms8pmsky.3
title: Data for: Market segmentation: A multiple criteria approach combining preference analysis and segmentation decision

description: An hypothetical market segmentation data set
DOI: 10.17632/k9kxhpc2wj.1
title: Data for: The Atlantic salmon immune response towards rhabdovirus infected and non-infected salmon louse (Lepeophtheirus salmonis)

description: Real time RT-PCR data, raw data with calculations
DOI: 10.5281/zenodo.1241036
title: Human Set Domain Bifurcated 1 (Setdb1), Tudor Domain; A Target Enabling Package

description: SETDB1 is a H3K9 methyltransferase involved in transcriptional silencing with a catalytic SET domain and a triple Tudor domain containing a methyl-lysine binding site. SGC Toronto previously solved the apo structure of the Tudor domain (PDB code 3DLM). Amplification of SETDB1 in over 15% lung adenocarcinoma correlates with high mRNA and protein levels and its depletion in SETDB1-amplified cells reduces cancer growth in cell culture and nude mice models, whereas its overexpression increases tumour invasiveness (Rodriguez-Paredes et al. Oncogene 2014, Shah et al. Epigenetic Chromatin 2014). Several histone methyltransferases are known to have non-catalytic functions that might be alternative targeting strategies. For instance, recognition of H3K9 methylation by the ankyrin repeat of the methyltransferase GLP is required for efficient establishment of H3K9 methylation (Liu et al. Genes Dev. 2015). No catalytic domain inhibitor of SETDB1 has been reported to date. The goal of this TEP is to enable the discovery of potent, selective compounds targeting the Tudor domain of SETDB1.
description: This document represents version 3 of the TEP datasheet and includes all updates on the project as of April 2018.  For more information about TEPs and the TEP Programme, please visit https://thesgc.org/tep.
DOI: 10.5517/ccdc.csd.cc1j2kpv
title: CCDC 1402647: Experimental Crystal Structure Determination

description: Related Article: Priyanka, Rajesh K. Sharma, Ray J. Butcher, Diksha Katiyar|2018|Tetrahedron Lett.|59|2347|doi:10.1016/j.tetlet.2018.05.009
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.cc1j2kw1
title: CCDC 1402653: Experimental Crystal Structure Determination

description: Related Article: Priyanka, Rajesh K. Sharma, Ray J. Butcher, Diksha Katiyar|2018|Tetrahedron Lett.|59|2347|doi:10.1016/j.tetlet.2018.05.009
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.cc1jd1cb
title: CCDC 1411751: Experimental Crystal Structure Determination

description: Related Article: Ashish Dixit, Pramod Kumar, Geeta Devi Yadav, Surendra Singh|2018|Inorg.Chim.Acta|479|240|doi:10.1016/j.ica.2018.04.048
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.cc1np71m
title: CCDC 1539740: Experimental Crystal Structure Determination

description: Related Article: Junyang Xing, Hongjian Sun, Tingting Zheng, Xinghao Qi, Xiaoyan Li, Olaf Fuhr, Dieter Fenske|2018|J.Organomet.Chem.|868|61|doi:10.1016/j.jorganchem.2018.04.041
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.cc1nrngj
title: CCDC 1542078: Experimental Crystal Structure Determination

description: Related Article: Halyna I. Buvailo, Valeriya G. Makhankova, Vladimir N. Kokozay, Iryna V. Omelchenko, Svitlana V. Shishkina, Julia Jezierska|2018|J.Mol.Struct.|1167|209|doi:10.1016/j.molstruc.2018.04.094
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.cc1phk4w
title: CCDC 1564078: Experimental Crystal Structure Determination

description: Related Article: Florian Berthiol, Christian Philouze, Pierre Y. Chavant, Jean-François Poisson|2018|Tetrahedron Lett.|59|2293|doi:10.1016/j.tetlet.2018.05.013
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.cc1phk5x
title: CCDC 1564079: Experimental Crystal Structure Determination

description: Related Article: Florian Berthiol, Christian Philouze, Pierre Y. Chavant, Jean-François Poisson|2018|Tetrahedron Lett.|59|2293|doi:10.1016/j.tetlet.2018.05.013
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.cc1phk6y
title: CCDC 1564080: Experimental Crystal Structure Determination

description: Related Article: Florian Berthiol, Christian Philouze, Pierre Y. Chavant, Jean-François Poisson|2018|Tetrahedron Lett.|59|2293|doi:10.1016/j.tetlet.2018.05.013
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.cc1ztk6k
title: CCDC 1841809: Experimental Crystal Structure Determination

description: Related Article: Shu-yun Niu, Hai-yan Li, Zhao-long Wang, Chun-xin Lu|2011|Liaoning Shifan Dax.Xue.Zir.Kex.|34|184|
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: 10.17632/b4n7drm6bm.1
title: Data for: Nonlinear effects of financial factors on fluctuations in nonferrous metals prices: A Markov-switching VAR analysis
DOI: 10.5281/zenodo.1241035
title: Human Histone Deacetylase 6 (Hdac6); A Target Enabling Package

description: HDAC6 is a cytosolic deacetylase with diverse roles in cellular trafficking, autophagy and cell signalling. Specifically targeting the unique zinc-finger ubiquitin-binding domain (ZnF-UBD) of HDAC6 may be an attractive strategy in myeloma and lymphoma but no inhibitor has been reported to date. Presented here are 4 co-crystal structures of HDAC6 ZnF-UBD in complex with different compounds, and associated SPR, ITC and FP assays.
description: This document represents version 3 of the TEP datasheet and includes all updates on the project as of April 2018.  For more information about TEPs and the TEP Programme, please visit https://thesgc.org/tep.
DOI: 10.5281/zenodo.1243207
title: Data Supplementing Lichtenberg Et Al. (2018) Costs And Benefits Of Alternative Food Handling Tactics Help Explain Facultative Exploitation Of Pollination Mutualisms. Ecology

description: This dataset contains data and scripts that supplement the publication

Lichtenberg et al. (2018) Costs and benefits of alternative food handling tactics help explain facultative exploitation of pollination mutualisms. Ecology 99: 1815-1824.

https://esajournals.onlinelibrary.wiley.com/doi/abs/10.1002/ecy.2395

 

Please cite the above article if you use any of the included data or code.

 

Files are described in README.md.
DOI: 10.5281/zenodo.1243208
title: Data Supplementing Lichtenberg Et Al. (2018) Costs And Benefits Of Alternative Food Handling Tactics Help Explain Facultative Exploitation Of Pollination Mutualisms. Ecology

description: This dataset contains data and scripts that supplement the publication

Lichtenberg et al. (2018) Costs and benefits of alternative food handling tactics help explain facultative exploitation of pollination mutualisms. Ecology 99: 1815-1824.

https://esajournals.onlinelibrary.wiley.com/doi/abs/10.1002/ecy.2395

 

Please cite the above article if you use any of the included data or code.

 

Files are described in README.md.
DOI: 10.5517/ccdc.csd.cc1pqjgd
title: CCDC 1570784: Experimental Crystal Structure Determination

description: Related Article: Priyanka, Rajesh K. Sharma, Ray J. Butcher, Diksha Katiyar|2018|Tetrahedron Lett.|59|2347|doi:10.1016/j.tetlet.2018.05.009
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.cc1q2lw8
title: CCDC 1581430: Experimental Crystal Structure Determination

description: Related Article: Halyna I. Buvailo, Valeriya G. Makhankova, Vladimir N. Kokozay, Iryna V. Omelchenko, Svitlana V. Shishkina, Julia Jezierska|2018|J.Mol.Struct.|1167|209|doi:10.1016/j.molstruc.2018.04.094
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.cc1yztsj
title: CCDC 1817089: Experimental Crystal Structure Determination

description: Related Article: Lianhui Wang, Dan Xiong, Lianghua Jie, Chudan Yu, Xiuling Cui|2018|Chin.Chem.Lett.|29|907|doi:10.1016/j.cclet.2018.05.007
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.cc1yzttk
title: CCDC 1817090: Experimental Crystal Structure Determination

description: Related Article: Lianhui Wang, Dan Xiong, Lianghua Jie, Chudan Yu, Xiuling Cui|2018|Chin.Chem.Lett.|29|907|doi:10.1016/j.cclet.2018.05.007
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.cc1ztk7l
title: CCDC 1841810: Experimental Crystal Structure Determination

description: Related Article: Shu-yun Niu, Hai-yan Li, Zhao-long Wang, Chun-xin Lu|2011|Liaoning Shifan Dax.Xue.Zir.Kex.|34|184|
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.cc1ztk8m
title: CCDC 1841811: Experimental Crystal Structure Determination

description: Related Article: Shu-yun Niu, Hai-yan Li, Zhao-long Wang, Chun-xin Lu|2011|Liaoning Shifan Dax.Xue.Zir.Kex.|34|184|
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.1241033
title: Human Alpha-Aminoadipic Semialdehyde Synthase (Aass); A Target Enabling Package

description: This work provides the early tools to develop substrate reduction inhibitors for a genetic childhood seizure disorder, with the hypothesis to target the enzyme (AASS) upstream of the defective gene (ALDH7A1) in the human lysine metabolic pathway. This TEP package includes recombinant human AASS purification protocols, structures of the AASS second domain in different states, in vitro assays to detect ligand binding (differential scanning fluorimetry) and enzyme activity (NADH formation) of human AASS, as well as initial chemical matters.
description: This document represents version 3 of the TEP datasheet and includes all updates on the project as of April 2018.  For more information about TEPs and the TEP Programme, please visit https://thesgc.org/tep.
DOI: 10.5281/zenodo.1241034
title: Plasmodium Bromodomain Pfbdp4; A Target Enabling Package

description: There are 8 bromodomain-containing proteins in each annotated Plasmodium genome, with only one containing dual bromodomains (BRDs) – i.e. a total of 9 BRDs. In collaboration with SGC Oxford, we have expressed, purified and crystallized the BRDs in PfBDP1, PfBDP3, PfBDP4 (namely PfBDP4B) and PfGCN5. By screening all four against a focused BRD inhibitor library (SGC Oxford) using the DSF assay, we identified a small number of hits that were subsequently validated and quantitatively assessed using ITC. Two similar compounds with the dihydropteridinone scaffold, namely BI2536 and BI6727, stood out as potent inhibitors of PfBDP4B (both with Kd below 200 nM). We further collaborated with U of Melbourne to test them against Pf3D7 and found them capable of inhibiting blood stage development at sub-micromolar concentrations. Analysis of the co-structure of PfBDP4B+BI2536 suggests the possibility of increasing the potency and selectivity of inhibition.
description: This document represents version 3 of the TEP datasheet and includes all updates on the project as of April 2018.  For more information about TEPs and the TEP Programme, please visit https://thesgc.org/tep.
DOI: 10.5281/zenodo.1242821
title: Spisula Solidissima Growth Data

description: Datatset associated to PlosOne submission : PONE-D-18-04457R1

Title : Ligament, hinge, and shell cross-sections of the Atlantic surfclam (Spisula solidissima): Promising marine environmental archives in NE North America

Authors : Pierre Poitevin, Julien Thébault, Bernd Reinhard Schöne, Aurélie Jolivet, Pascal Lazure, Laurent Chauvaud
description: SGI : Standardized Growth Index calculated using (Schöne, 2013 http://dx.doi.org/10.1016/j.gloplacha.2013.09.013) formula
Anatomical parts codes: ce (external layer), ch (chondrophore) and re (resilium)
These data are discussed in Poitevin et al. 2018 submitted to Plos One
SGI values are valid to 2 decimal places
Shells collected in Saint-Pierre and Miquelon : by scuba diving along the southeastern shore of Miquelon-Langlade sandy isthmus (46°54'20"N; 56°18'58"W) in November 2015 
This work was supported by the EC2CO program MATISSE of the CNRS INSU, the Cluster of Excellence LabexMER, and the LIA BeBEST CNRS INEE. This research was carried out as part of the Ph.D. thesis of Pierre Poitevin for the University of Western Brittany with a French Ministry of Higher Education and Research grant.
DOI: 10.5517/ccdc.csd.cc1ls0s5
title: CCDC 1482847: Experimental Crystal Structure Determination

description: Related Article: Hui Jiang, Peng Hu, Jun Ye, Apoorva Chaturvedi, Keke K. Zhang, Yongxin Li, Yi Long, Denis Fichou, Christian Kloc, Wenping Hu|2018|Angew.Chem.,Int.Ed.|57|8875|doi:10.1002/anie.201713288
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.cc1n7pm6
title: CCDC 1526738: Experimental Crystal Structure Determination

description: Related Article: Shentang Wang, Xiaohui Gao, Xinxin Hang, Xiaofei Zhu, Haitao Han, Wuping Liao, Wei Chen|2018|J.Am.Chem.Soc.|140|6271|doi:10.1021/jacs.7b13193
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.cc1nmylt
title: CCDC 1538517: Experimental Crystal Structure Determination

description: Related Article: Hui Jiang, Peng Hu, Jun Ye, Apoorva Chaturvedi, Keke K. Zhang, Yongxin Li, Yi Long, Denis Fichou, Christian Kloc, Wenping Hu|2018|Angew.Chem.,Int.Ed.|57|8875|doi:10.1002/anie.201713288
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.cc1nmynw
title: CCDC 1538519: Experimental Crystal Structure Determination

description: Related Article: Hui Jiang, Peng Hu, Jun Ye, Apoorva Chaturvedi, Keke K. Zhang, Yongxin Li, Yi Long, Denis Fichou, Christian Kloc, Wenping Hu|2018|Angew.Chem.,Int.Ed.|57|8875|doi:10.1002/anie.201713288
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.cc1pbkxh
title: CCDC 1559297: Experimental Crystal Structure Determination

description: Related Article: Elena A. Malinina, Irina K. Kochneva, Irina N. Polyakova, Varvara V. Avdeeva, Grigorii A. Buzanov, Nikolai N. Efimov, Elena A. Ugolkova, Vadim V. Minin, Nikolai T. Kuznetsov|2018|Inorg.Chim.Acta|479|249|doi:10.1016/j.ica.2018.04.059
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.cc1z5r30
title: CCDC 1822772: Experimental Crystal Structure Determination

description: Related Article: Ying-Ying Peng, Peng Liu, Zhen-Jiang Liu, Jin-Tao Liu, Hai-Fang Mao, Yue-Liang Yao|2018|Tetrahedron|74|3074|doi:10.1016/j.tet.2018.05.014
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.cc1zfdjb
title: CCDC 1830132: Experimental Crystal Structure Determination

description: Related Article: Kay E. Burrows, Rafal Kulmaczewski, Oscar Cespedes, Simon A. Barrett, Malcolm A. Halcrow|2018|Polyhedron|149|134|doi:10.1016/j.poly.2018.04.030
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.