cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc1jdnl5
title: CCDC 1412347: Experimental Crystal Structure Determination

description: Related Article: Wen Zhou ,  Jason W. Schultz ,  Nigam P. Rath ,  and Liviu M. Mirica|2015|J.Am.Chem.Soc.|137|7604|doi:10.1021/jacs.5b04082
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/cc1jdnm6
title: CCDC 1412348: Experimental Crystal Structure Determination

description: Related Article: Wen Zhou ,  Jason W. Schultz ,  Nigam P. Rath ,  and Liviu M. Mirica|2015|J.Am.Chem.Soc.|137|7604|doi:10.1021/jacs.5b04082
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/cc1jdnrb
title: CCDC 1412352: Experimental Crystal Structure Determination

description: Related Article: Janell K. Mahoney ,  David Martin ,  Fabrice Thomas ,  Curtis E. Moore ,  Arnold L. Rheingold ,  and Guy Bertrand|2015|J.Am.Chem.Soc.|137|7519|doi:10.1021/jacs.5b04414
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/cc1jdnsc
title: CCDC 1412353: Experimental Crystal Structure Determination

description: Related Article: Janell K. Mahoney ,  David Martin ,  Fabrice Thomas ,  Curtis E. Moore ,  Arnold L. Rheingold ,  and Guy Bertrand|2015|J.Am.Chem.Soc.|137|7519|doi:10.1021/jacs.5b04414
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/cc1jdntd
title: CCDC 1412354: Experimental Crystal Structure Determination

description: Related Article: Janell K. Mahoney ,  David Martin ,  Fabrice Thomas ,  Curtis E. Moore ,  Arnold L. Rheingold ,  and Guy Bertrand|2015|J.Am.Chem.Soc.|137|7519|doi:10.1021/jacs.5b04414
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/cc1jdnvf
title: CCDC 1412355: Experimental Crystal Structure Determination

description: Related Article: Janell K. Mahoney ,  David Martin ,  Fabrice Thomas ,  Curtis E. Moore ,  Arnold L. Rheingold ,  and Guy Bertrand|2015|J.Am.Chem.Soc.|137|7519|doi:10.1021/jacs.5b04414
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: 10.6084/m9.figshare.30417019
title: Ground ice on the Moon

description: Ice fractions derived from temperature difference between Diviner data and thermophysical model.
DOI: 10.6084/m9.figshare.30417019.v4
title: Ground ice on the Moon

description: Ice fractions derived from temperature difference between Diviner data and thermophysical model.
DOI: 10.5517/ccdc.csd.cc1jdnwg
title: CCDC 1412356: Experimental Crystal Structure Determination

description: Related Article: Laura G. Sarbu, Lucian G. Bahrin, Peter G. Jones, Lucian M. Birsa and Henning Hopf|2015|Beilstein J.Org.Chem.|11|1917|doi:10.3762/bjoc.11.207
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.cc1jdnxh
title: CCDC 1412357: Experimental Crystal Structure Determination

description: Related Article: Laura G. Sarbu, Lucian G. Bahrin, Peter G. Jones, Lucian M. Birsa and Henning Hopf|2015|Beilstein J.Org.Chem.|11|1917|doi:10.3762/bjoc.11.207
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: 10.6084/m9.figshare.30417019.v3
title: Ground ice on the Moon

description: Ice fractions derived from temperature difference between Diviner data and thermophysical model.
DOI: 10.5517/cc1j2ffg
title: CCDC 1402515: Experimental Crystal Structure Determination

description: Related Article: Hiroshi Yamagishi ,  Takahiro Fukino ,  Daisuke Hashizume ,  Tadashi Mori ,  Yoshihisa Inoue ,  Takaaki Hikima ,  Masaki Takata ,  and Takuzo Aida|2015|J.Am.Chem.Soc.|137|7628|doi:10.1021/jacs.5b04386
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/cc1jdnzk
title: CCDC 1412359: Experimental Crystal Structure Determination

description: Related Article: Yinhua Huang  and Tamio Hayashi|2015|J.Am.Chem.Soc.|137|7556|doi:10.1021/jacs.5b03277
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.cc1jdnyj
title: CCDC 1412358: Experimental Crystal Structure Determination

description: Related Article: Jing Zheng, Yan Zhang, Dahai Wang, and Sunliang Cui|2016|Org.Lett.|18|1768|doi:10.1021/acs.orglett.6b00481
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/cc1jdp0m
title: CCDC 1412360: Experimental Crystal Structure Determination

description: Related Article: Chendan Zhu ,  Yong Liang ,  Xin Hong ,  Heqing Sun ,  Wei-Yin Sun ,  K. N. Houk ,  and Zhuangzhi Shi|2015|J.Am.Chem.Soc.|137|7564|doi:10.1021/jacs.5b03488
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/cc1jdp1n
title: CCDC 1412361: Experimental Crystal Structure Determination

description: Related Article: Alex J. Nett ,  Wanxiang Zhao ,  Paul M. Zimmerman ,  and John Montgomery|2015|J.Am.Chem.Soc.|137|7636|doi:10.1021/jacs.5b04548
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/cc1jdp3q
title: CCDC 1412363: Experimental Crystal Structure Determination

description: Related Article: Dillon H. Miles ,  Joan Guasch ,  and F. Dean Toste|2015|J.Am.Chem.Soc.|137|7632|doi:10.1021/jacs.5b04518
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.8kunq7
title: Occurrence Download

description: A dataset containing 43080 species occurrences available in GBIF matching the query:
{
 "and" : [
 "OccurrenceStatus is Present",
 "TaxonKey is Commelina communis"
 ]
}

 The dataset includes 43080 records from 546 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0052211-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/cc1jdp2p
title: CCDC 1412362: Experimental Crystal Structure Determination

description: Related Article: Padmini Ramaswamy ,  Norman E. Wong ,  Benjamin S. Gelfand ,  and George K. H. Shimizu|2015|J.Am.Chem.Soc.|137|7640|doi:10.1021/jacs.5b04399
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/cc1jdp4r
title: CCDC 1412364: Experimental Crystal Structure Determination

description: Related Article: Rui Shang ,  Laurean Ilies ,  and Eiichi Nakamura|2015|J.Am.Chem.Soc.|137|7660|doi:10.1021/jacs.5b04818
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/cc1jdp6t
title: CCDC 1412366: Experimental Crystal Structure Determination

description: Related Article: Xiao-Ye Wang ,  Akimitsu Narita ,  Xinliang Feng ,  and Klaus Müllen|2015|J.Am.Chem.Soc.|137|7668|doi:10.1021/jacs.5b05056
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/cc1jdp7v
title: CCDC 1412367: Experimental Crystal Structure Determination

description: Related Article: Xiao-Ye Wang ,  Akimitsu Narita ,  Xinliang Feng ,  and Klaus Müllen|2015|J.Am.Chem.Soc.|137|7668|doi:10.1021/jacs.5b05056
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/cc1jdp8w
title: CCDC 1412368: Experimental Crystal Structure Determination

description: Related Article: Xiao-Ye Wang ,  Akimitsu Narita ,  Xinliang Feng ,  and Klaus Müllen|2015|J.Am.Chem.Soc.|137|7668|doi:10.1021/jacs.5b05056
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/cc1jdp9x
title: CCDC 1412369: Experimental Crystal Structure Determination

description: Related Article: Xiao-Ye Wang ,  Akimitsu Narita ,  Xinliang Feng ,  and Klaus Müllen|2015|J.Am.Chem.Soc.|137|7668|doi:10.1021/jacs.5b05056
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/cc14909r
title: CCDC 1051343: Experimental Crystal Structure Determination

description: Related Article: Israel Cano ,  Miguel A. Huertos ,  Andrew M. Chapman ,  Gerd Buntkowsky ,  Torsten Gutmann ,  Pedro B. Groszewicz ,  and Piet W. N. M. van Leeuwen|2015|J.Am.Chem.Soc.|137|7718|doi:10.1021/jacs.5b02802
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/cc1jdpby
title: CCDC 1412370: Experimental Crystal Structure Determination

description: Related Article: Takao Fujikawa ,  Yasutomo Segawa ,  and Kenichiro Itami|2015|J.Am.Chem.Soc.|137|7763|doi:10.1021/jacs.5b03118
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.twz9bj
title: Occurrence Download

description: A dataset containing 1417973 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Syrphidae",
 "Continent is Europe",
 "HasCoordinate is true",
 "Year is greater than or equal to 2023",
 "Year is less than or equal to 2025"
 ]
}

 The dataset includes 1417973 records from 194 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0052172-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15151/esrf-es-2015895624
title: Structure of metalloproteins, membrane proteins, filamentous sarcomer proteins, and virus particles

description: Our work focusses on biological nitrogen fixation by Nitrogenase, on metalloenzymes and integral membrane proteins of bacterial and archaeal respiratory systems (Andrade/Einsle/Wohlwend), the working mechanism and regulation of medically relevant membrane proteins and complexes and their defects leading to pathologies (Hunte/Wirth), bacterial antibiotic resistance factors and viral and bacterial proteins bound to their targets or inhibitors, and their interactions with glycans (Stehle/Zocher), human S100 proteins involved in nutritional immunity, USP18 enforcing the endogenous antiviral interferon response, and the respiratory complex NQR of V. cholerae (Fritz), DNA Polymerases with artificial substrates (Betz), and on multi-domain components of the sarcomeric filamentous protein titin and their binding to the E3 ubiquitin ligase MuRF1 and the central myosin rod-domain (Mayans).
DOI: 10.15151/esrf-es-2019878517
title: PROTEINS RELATED TO PATHOGENESIS OF DISEASES, VIRAL PROTEINS, CELL DIVISION, SIGNALLING AND CHROMATIN PROCESSES

description: The outstanding research questions of our BAG (now expanded to 9 PIs) focus on proteins and their complexes involved in a variety of processes, ranging from cell homeostasis (from gene regulation to folding quality control, from energy metabolism to signal transduction) to communication and surface recognition (including trans-interactions between cell adhesion molecules, components of the extracellular matrix weaving, as well as antigen-antibody interactions for vaccine development and optimization). Key to several projects is the characterization of the mechanisms associated to enzyme function in various organisms, including bacteria, viruses, plants, animals and humans for downstream drug discovery campaigns. Emphasis is also given to research focusing on engineering protein and enzymes for future industrial applications, as well as to understand the impact of pathogenic mutations on protein structures, providing a genotype-to-molecular phenotype rationale to disease development.
DOI: 10.15151/esrf-es-2019953709
title: Austrian Crystallographic Diffraction Consortium

description: The Austrian Crystallographic Diffraction Consortium (ACDC) BAG aims at supporting several macromolecular structural biology groups across Austria (in total
20 research groups at 9 institutions in 4 cities). We employ mainly the technique of X-ray crystallography to characterize macromolecular biological complexes,
but also solution scattering approaches are frequently used to characterize dynamic assemblies. Approval of this BAG will be essential for researchers in all
our groups to carry out their structural studies on various health-related and basic research-oriented topics, which are targeted at characterizing large molecular
assemblies or proteins currently under-represented in the PDB, including membrane proteins. Corresponding high-resolution diffraction data are only obtainable
through the use of synchrotron radiation sources. Thus regular synchrotron access is highly desirable to maintain a competitive advantage in our individual
research fields.
DOI: 10.15151/esrf-es-2037820693
title: Molecular machines in energy transduction, cellular signaling and defense processes

description: This BAG is composed of 6 working groups from 3 locations (universities of Cologne, Bochum, Duesseldorf),working with both MX and SAXS, the projectsfor this proposal are rather heterogeneous.
Nonetheless, our research focuses on six primary themes: proteins involved in transport processes, immune system function, disease association, industrial enzyme applications, light harvesting, and signaling or fixation processes.
Our research spans a wide range of biological processes, from membrane transport and pathogen defense to enzyme optimization for industrial and environmental applications. By obtaining high-resolution structures of these proteins, we aim to advance our understanding of their functions, paving the way for new therapeutic strategies, biotechnological innovations, and solutions to pressing environmental challenges.
DOI: 10.15151/esrf-es-2066300371
title: IBS BAG

description: The IBS BAG includes teams from IBS (Grenoble) and external groups from CEA-Cadarache (St Paul lez Durance) and IRBA (Brétigny-sur-Orge). We study the structure-function relationships of proteins with a focus on human health, biotechnology and methodology. Most of the projects are a continuation of the MX-2586 proposal and can be grouped under the following themes: host-pathogen interaction, new therapeutic targets, fundamental cellular mechanisms, membrane proteins, biotechnological applications and methodology. Some of these projects use integrative approaches (X-ray crystallography, cryo-EM, SAXS and NMR) together with other biophysical and biochemical studies and, more recently, the use of AI (AlphaFold) to fully understand the complexity of the biological macromolecular systems under study.
DOI: 10.15151/esrf-es-2139089108
title: Joint-Structural Biology Group (JSBG) BAG proposal for ID29 beamline

description: The aim of the JSBG BAG proposal for ID29 beamline is to develop new methods for time-resolved serial crystallography experiments at 4th generation source and to study time dependent structural conformation of biological macromolecules that are studies at the ESRF-EMBL-GR Joint Structural Biology Group. Method developments include the study of radiation damage at high flux densities and with partially polychromatic beam (1% and 0.3%), the implementation and development of various sample delivery methods - mixing in capillary, microfluidics, tape-drive and fixed targets. This further includes development of GPU-based indexing algorithm, data reduction software, and develop new data collection strategies for pump-probe SSX experiments integrating nanosecond laser. Biological systems include the study of photoactivatable proteins, enzymatic systems through mixing experiments and multi-temperature jump experiments to study protein dynamics.
DOI: 10.15151/esrf-es-2050994282
title: Operando XRD investigation of high entropy cathodes for Na-ion batteries

description: We are developing new high entropy cathodes for Na-ion batteries optimizing compositions and synthetic routes. We focused our attention to compositions Nax(Fe0.2Mn0.2Ni0.2Co0.2Ti0.2)O2 with x=0.75 and 1, which lead to the best performance in terms of specific capacity and stability. We found that different synthetic routes led to materials with different morphology and phase composition, which in turn affect the electrochemical properties. 
We propose to perform an operando XRD investigation on our cathodes to investigate on the structural and microstructural origin of their capacity and stability.
DOI: 10.15151/esrf-es-2049634507
title: High-resolution RIXS investigation of a cascade of excitations in a 5d1 double perovskite Ba2MgReO6

description: This proposal concerns the study of local excitations in Ba2MgReO6, a 5d1 system shown recently to display multipolar order, with strong entanglement between spin, orbit and vibronic degrees of freedom. The local ReO6 environment is highly-symmetric, recently shown to be distorted due to the dynamical Jahn-Teller effect. Our previous RIXS data revealed two main d-d excitations, the splitting of the jeff=3/2 quartet into two doublets and the SOC-induced gap. Each d-d excitation develops a high-energy tail, which has been described using a set of equidistant modes, but the low resolution did not allow to properly characterize their energies and the number of those additional modes. The current experiment aims to address this problem by utilising high-resolution RIXS beamline at ID32. We plan to measure RIXS at the O K-edge of Ba2MgReO6, with the desired resolution of 20meV fully achievable on this instrument.
DOI: 10.15468/dl.df3rvk
title: Occurrence Download

description: A dataset containing 347 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is one of (China, Mongolia)",
 "TaxonKey is Potentilla cryptotaeniae Maxim."
 ]
}

 The dataset includes 347 records from 13 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005391-250415084134356/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.