cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cczbgrh
title: CCDC 903797: Experimental Crystal Structure Determination

description: Related Article: Jirí Kulhánek, Filip Bureš, Jakub Opršal, Wojciech Kuznik, Tomáš Mikysek, Aleš Růžička|2013|Asian J.Org.Chem|2|422|doi:10.1002/ajoc.201300063
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/cczbgpf
title: CCDC 903795: Experimental Crystal Structure Determination

description: Related Article: Jirí Kulhánek, Filip Bureš, Jakub Opršal, Wojciech Kuznik, Tomáš Mikysek, Aleš Růžička|2013|Asian J.Org.Chem|2|422|doi:10.1002/ajoc.201300063
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/cczbkqk
title: CCDC 903889: Experimental Crystal Structure Determination

description: Related Article: Michael Müller, Claudia M. Orben, Nina Schützenmeister, Manuel Schmidt, Andrei Leonov, Uwe M. Reinscheid, Birger Dittrich, Christian Griesinger|2013|Angew.Chem.,Int.Ed.|52|6047|doi:10.1002/anie.201300258
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/cczbkpj
title: CCDC 903888: Experimental Crystal Structure Determination

description: Related Article: Christian Kleeberg, Corinna Borner|2013|Eur.J.Inorg.Chem.|2013|2799|doi:10.1002/ejic.201300119
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/cczbn1z
title: CCDC 903961: Experimental Crystal Structure Determination

description: Related Article: Jie-Cheng Deng, Chih-Wei Kuo, Shih-Ching Chuang|2014|Chem.Commun.|50|10580|doi:10.1039/C4CC02870H
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/cczbrbc
title: CCDC 904063: Experimental Crystal Structure Determination

description: Related Article: Nan Xu, Lauren E. Goodrich, Nicolai Lehnert, Douglas R. Powell, George B. Richter-Addo|2013|Angew.Chem.,Int.Ed.|52|3896|doi:10.1002/anie.201208063
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/cczbrcd
title: CCDC 904064: Experimental Crystal Structure Determination

description: Related Article: Nan Xu, Lauren E. Goodrich, Nicolai Lehnert, Douglas R. Powell, George B. Richter-Addo|2013|Angew.Chem.,Int.Ed.|52|3896|doi:10.1002/anie.201208063
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.mdrvqe
title: Occurrence Download

description: A dataset containing 2174703 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Tringa flavipes"
 ]
}

 The dataset includes 2174703 records from 409 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002044-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/cczbrz0
title: CCDC 904083: Experimental Crystal Structure Determination

description: Related Article: Zulema Arcís-Castillo, M. Carmen Muñoz, Gábor Molnár, Azzedine Bousseksou, José Antonio Real|2013|Chem.-Eur.J.|19|6851|doi:10.1002/chem.201203559
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/cczbrxy
title: CCDC 904081: Experimental Crystal Structure Determination

description: Related Article: Zulema Arcís-Castillo, M. Carmen Muñoz, Gábor Molnár, Azzedine Bousseksou, José Antonio Real|2013|Chem.-Eur.J.|19|6851|doi:10.1002/chem.201203559
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/cczbryz
title: CCDC 904082: Experimental Crystal Structure Determination

description: Related Article: Zulema Arcís-Castillo, M. Carmen Muñoz, Gábor Molnár, Azzedine Bousseksou, José Antonio Real|2013|Chem.-Eur.J.|19|6851|doi:10.1002/chem.201203559
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/cczbrvw
title: CCDC 904079: Experimental Crystal Structure Determination

description: Related Article: Zulema Arcís-Castillo, M. Carmen Muñoz, Gábor Molnár, Azzedine Bousseksou, José Antonio Real|2013|Chem.-Eur.J.|19|6851|doi:10.1002/chem.201203559
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/cczbrwx
title: CCDC 904080: Experimental Crystal Structure Determination

description: Related Article: Zulema Arcís-Castillo, M. Carmen Muñoz, Gábor Molnár, Azzedine Bousseksou, José Antonio Real|2013|Chem.-Eur.J.|19|6851|doi:10.1002/chem.201203559
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/cczbsrt
title: CCDC 904107: Experimental Crystal Structure Determination

description: Related Article: Karuppusamy Sakthivel, Kannupal Srinivasan|2013|Eur.J.Org.Chem.|2013|3386|doi:10.1002/ejoc.201300046
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/cczbssv
title: CCDC 904108: Experimental Crystal Structure Determination

description: Related Article: Karuppusamy Sakthivel, Kannupal Srinivasan|2013|Eur.J.Org.Chem.|2013|3386|doi:10.1002/ejoc.201300046
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/cczbs57
title: CCDC 904089: Experimental Crystal Structure Determination

description: Related Article: Matthew J. Leonard, Anthony R. Lingham, Julie O. Niere, Neale R. C. Jackson, Peter G. McKay, Helmut M. Hügel|2015|RSC Advances|4|14143|doi:10.1039/C4RA00332B
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: 10.25505/fiz.icsd.cc1xxrh2
title: CSD 1785305: Experimental Crystal Structure Determination

description: Related Article: Marion C. Schäfer and Svilen Bobev|2013|J.Am.Chem.Soc.|135|1696|doi:10.1021/ja3112934
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cczbshk
title: CCDC 904099: Experimental Crystal Structure Determination

description: Related Article: Kei Murakami, Junichi Imoto, Hiroshi Matsubara, Suguru Yoshida, Hideki Yorimitsu, Koichiro Oshima|2013|Chem.-Eur.J.|19|5625|doi:10.1002/chem.201204072
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/cczc9xj
title: CCDC 904608: Experimental Crystal Structure Determination

description: Related Article: Iris de Krom, Evgeny A. Pidko, Martin Lutz, Christian Müller|2013|Chem.-Eur.J.|19|7523|doi:10.1002/chem.201300321
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/cczccrf
title: CCDC 904665: Experimental Crystal Structure Determination

description: Related Article: Clayton P. Owens,Adrian Varela-Alvarez,Vyacheslav Boyarskikh,Djamaladdin G. Musaev,Huw M. L. Davies,Simon B. Blakey|2013|Chemical Science|4|2590|doi:10.1039/C3SC50886B
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/cczc99x
title: CCDC 904589: Experimental Crystal Structure Determination

description: Related Article: Naruyoshi Komiya, Minoru Okada, Kanako Fukumoto, Kenji Kaneta, Atsushi Yoshida, Takeshi Naota|2013|Chem.-Eur.J.|19|4798|doi:10.1002/chem.201203669
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/cczcdzp
title: CCDC 904703: Experimental Crystal Structure Determination

description: Related Article: Junkai Fu, Hai Shang, Zhaofeng Wang, Le Chang, Wenbing Shao, Zhen Yang, Yefeng Tang|2013|Angew.Chem.,Int.Ed.|52|4198|doi:10.1002/anie.201208305
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.6vwdna
title: Occurrence Download

description: A dataset containing 64 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Mactra abbreviata",
 "HasCoordinate is true",
 "BasisOfRecord is one of (Observation, Machine Observation, Human Observation, Occurrence evidence)",
 {
 "not" : {
 "OccurrenceStatus" : [
 "is one of (Absent)"
 ]
 }
 }
 ]
}

 The dataset includes 64 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002146-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/cczcfd4
title: CCDC 904716: Experimental Crystal Structure Determination

description: Related Article: Jaromír Vinklárek, Hana Hurychová, Jan Honzíček, Lucie Šebestová, Zdenka Padelková, Martina Rezáčová|2013|Eur.J.Inorg.Chem.|2013|2665|doi:10.1002/ejic.201201505
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/cczcfb2
title: CCDC 904714: Experimental Crystal Structure Determination

description: Related Article: Jaromír Vinklárek, Hana Hurychová, Jan Honzíček, Lucie Šebestová, Zdenka Padelková, Martina Rezáčová|2013|Eur.J.Inorg.Chem.|2013|2665|doi:10.1002/ejic.201201505
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/cczcfc3
title: CCDC 904715: Experimental Crystal Structure Determination

description: Related Article: Jaromír Vinklárek, Hana Hurychová, Jan Honzíček, Lucie Šebestová, Zdenka Padelková, Martina Rezáčová|2013|Eur.J.Inorg.Chem.|2013|2665|doi:10.1002/ejic.201201505
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.u6a3se
title: Occurrence Download

description: A dataset containing 4 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Two new species of deep-sea sponges (Porifera, Demospongiae) from submarine canyons of the Sardinian continental margin (western Mediterranean Sea)"
 ]
}

 The dataset includes 4 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0060982-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.16534105
title: variability refinement of CgCdr1 in complex with ITC and ATP-ADP-Mg2+, component 0

description: The ABC transporter Cdr1 from Candida glabrata was imaged by cryoEM and inter-particle variability was analyzed using 3DVA in cryosparc. 

The data is from variability refinement jobs using phenix.varref to refine an ensemble of structures inside the ensemble of maps created by 3DVA. 

 

This dataset describes the variability of in complex with ITC and ATP-ADP-Mg2+, for the component 0. 

 

The dataset consists of 20 coordinate models of Cdr1, going from model 0 to 19. Model 0 is the refinement against map 0, model 1 against map 1, etc… 

The refinement procedure first finds the best map-model correlation coefficient (CCmask) between the coordinate model provided by the user (against the high-resolution map) and the 20 maps given by 3DVA. The refinement procedure is then incremental, starting at the best CCmask (for example map 7); the result of map 7 is then used for map 8, the result of map 8 is used for map 9 , etc… and same procedure going from map 7 to map 0. All the refinement results are then combined into one single multi-model PDB file.
DOI: 10.5281/zenodo.16534106
title: variability refinement of CgCdr1 in complex with ITC and ATP-ADP-Mg2+, component 0

description: The ABC transporter Cdr1 from Candida glabrata was imaged by cryoEM and inter-particle variability was analyzed using 3DVA in cryosparc. 

The data is from variability refinement jobs using phenix.varref to refine an ensemble of structures inside the ensemble of maps created by 3DVA. 

 

This dataset describes the variability of in complex with ITC and ATP-ADP-Mg2+, for the component 0. 

 

The dataset consists of 20 coordinate models of Cdr1, going from model 0 to 19. Model 0 is the refinement against map 0, model 1 against map 1, etc… 

The refinement procedure first finds the best map-model correlation coefficient (CCmask) between the coordinate model provided by the user (against the high-resolution map) and the 20 maps given by 3DVA. The refinement procedure is then incremental, starting at the best CCmask (for example map 7); the result of map 7 is then used for map 8, the result of map 8 is used for map 9 , etc… and same procedure going from map 7 to map 0. All the refinement results are then combined into one single multi-model PDB file.
DOI: 10.15468/dl.dugyfp
title: Occurrence Download

description: A dataset containing 56392 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is one of (Elaphoglossum pygmaeum, Gunnera albocarpa, Microchilus repens, Chondroscaphe plicata, Austrostipa stipoides, Guettardella ternata, Erigeron uniflorus vichrenensis, Argyrotegium fordianum, Pseudadenia vizanensis, Pothos luzonensis, Angelica komarovii, Guettardella affinis, Berberis nivea, Austrostipa platychaeta, Toxicodendron radicans verrucosum, Aldama bishopii, Argyranthemum adauctum jacobaeifolium, Aratitiyopea lopezii colombiana, Elymus dolichatherus, Salacia crassifolia, Guettardella attenuata, Rhododendron arboreum nilagiricum, Dopatrium lobelioides, Microdon capitatus, Elymus viridulus, Astragalus khassanovii, Crepis triasii, Bomarea andimarcana densifolia, Vestia foetida, Astragalus spatulatus, Hydriastele vitiensis, Guettardella tenuiflora, Austrostipa dongicola, Microdon dubius, Crepis pontana, Hieracium chondrillifolium delasoiei, Quechua glabrescens, Osmanthus yunnanensis, Elymus alienus, Vandopsis lissochiloides, Galium porrigens tenue, Juncus tingitanus, Trachelospermum lucidum, Angelica venenosa, Phegopteris kinabaluensis, Brickelliastrum nesomii, Astragalus edmonstonei, Eugenia cordata caribaea, Pyranthus lucens, Stemonurus perobtusus, Tephroseris integrifolia serpentini, Astragalus chaidamuensis, Hymenolepis crithmifolia, Austrostipa setacea, Odontites longiflorus, Linostoma decandrum, Hieracium sparsum peninsulare, Leptodesmia bojeriana, Centaurea aucheri szowitsii, Odontites hispidulus, Elymus fibrosus, Microchilus tridax, Microchilus paleaceus, Carduncellus pectinatus, Combretum hereroense grotei, Crepis canariensis, Rhombophyllum dyeri, Acronema hookeri, Astragalus serenoi, Cleisostoma williamsonii, Crepis jacquinii kerneri, Aldama guaranitica, Aristida laevis, Astragalus chamissonis, Acantholimon puberulum longiscapum, Guettardella tayabensis, Sphenostylis erecta, Solidago virgaurea kurilensis, Astragalus plumbeus, Astragalus scaphoides, Cleisostoma bilamellatum, Spiraea splendens rosea, Elymus sajanensis, Calycobolus goodii, Cipuropsis singularis, Bechium rhodolepis, Capsicum cornutum, Astragalus cutleri, Leucadendron vinimontis, Glischrocaryon lucasii, Chrysolaena propinqua, Nephrolepis cordifolia)"
 ]
}

 The dataset includes 56392 records from 879 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0060957-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25345/c5445hr3j
title: MassIVE MSV000098657 - Spotted hyena lymph node, liver, and lung proteomes
title: Proteomics using Draft Genomes: a Case Study in Spotted Hyena Crocuta crocuta, or spotted hyena, are one of four remaining hyena species, notable for its preference for hunting rather than scavenging. Until 2020, no annotated genome had been published for the species; by 2023, three had been published. These bottom-up proteomes, measured in 2020, were used to evaluate the quality of these three genomes for C. crocuta, establishing that the genome annotation featured by UniProt and NCBI lags behind the alternatives in identification sensitivity. Sample handling and mass spectrometry are detailed in 1330MASS_ANALYTICALREPORT.pdf. Notably, these data were produced with Cys alkylated by MMTS rather than iodoacetamide. The search results come from FragPipe 23, using the "Shao.faa" fasta plus contaminants and decoys. These shotgun proteomes were collected in roughly three sets. The three "Test" experiments (March and July 2020) established the amount of peptides loaded on column and asked how peptide diverse the samples were. The 13 RPLC experiments (August 2020) represented peripheral, head, abdominal, or thoracic lymph nodes (PL, HL, AL, or TL) from three different animals (571, 572, and 575) plus a few liver and lung samples. The 12 "Fraction" RAWs (September 2020) represent ten bRPLC fractions of a head lymph node pool. See the QuaMeter.tsv table for more details. These animals are the same as were used for RNA-Seq in NCBI PRJNA658551.
DOI: 10.15468/dl.azxc53
title: Occurrence Download

description: A dataset containing 97 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Fallopia baldschuanica",
 "Country is Czechia",
 "HasCoordinate is true"
 ]
}

 The dataset includes 97 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0060983-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.