cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2jqf0q
title: CCDC 2345243: Experimental Crystal Structure Determination

description: Related Article: Lianqi Sun,  Shibo Kou,  Bin Wang,  Yongjian Wang,  Jianzhou Meng,  Tianfu Liu,  Yuanyuan Ma,  Jianyuan Zhao,  Hong Yi,  Shan Cen,  Yu Lu,  Zhuorong Li|2024|J.Med.Chem.|67|14927|doi:10.1021/acs.jmedchem.4c00441
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.cc2k2x0l
title: CCDC 2356279: Experimental Crystal Structure Determination

description: Related Article: Ayan Mondal, Souvik Pal, Arindam Khatua, Abhishek Mondal, Alakesh Bisai|2024|J.Org.Chem.|89|12485|doi:10.1021/acs.joc.4c01452
description: Related Article: Ayan Mondal|2024|CSD Communication|||
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.cc2k2xyj
title: CCDC 2356308: Experimental Crystal Structure Determination

description: Related Article: Ayan Mondal, Souvik Pal, Arindam Khatua, Abhishek Mondal, Alakesh Bisai|2024|J.Org.Chem.|89|12485|doi:10.1021/acs.joc.4c01452
description: Related Article: Ayan Mondal|2024|CSD Communication|||
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.cc2k2xzk
title: CCDC 2356309: Experimental Crystal Structure Determination

description: Related Article: Ayan Mondal, Souvik Pal, Arindam Khatua, Abhishek Mondal, Alakesh Bisai|2024|J.Org.Chem.|89|12485|doi:10.1021/acs.joc.4c01452
description: Related Article: Ayan Mondal|2024|CSD Communication|||
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.cc2k2y3q
title: CCDC 2356313: Experimental Crystal Structure Determination

description: Related Article: Ayan Mondal, Souvik Pal, Arindam Khatua, Abhishek Mondal, Alakesh Bisai|2024|J.Org.Chem.|89|12485|doi:10.1021/acs.joc.4c01452
description: Related Article: Ayan Mondal|2024|CSD Communication|||
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.cc2k6r9v
title: CCDC 2359977: Experimental Crystal Structure Determination

description: Related Article: Sonila Xhafa,  Corrado Di Nicola,  Alessia Tombesi,  Riccardo Pettinari,  Claudio Pettinari,  Francesca Scarpelli,  Alessandra Crispini,  Massimo La Deda,  Angela Candreva,  Alessia Garufi,  Gabriella D’Orazi,  Agustín Galindo,  Fabio Marchetti|2024|J.Med.Chem.|67|15676|doi:10.1021/acs.jmedchem.4c01298
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.cc2k6rbw
title: CCDC 2359978: Experimental Crystal Structure Determination

description: Related Article: Sonila Xhafa,  Corrado Di Nicola,  Alessia Tombesi,  Riccardo Pettinari,  Claudio Pettinari,  Francesca Scarpelli,  Alessandra Crispini,  Massimo La Deda,  Angela Candreva,  Alessia Garufi,  Gabriella D’Orazi,  Agustín Galindo,  Fabio Marchetti|2024|J.Med.Chem.|67|15676|doi:10.1021/acs.jmedchem.4c01298
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.cc2k6rcx
title: CCDC 2359979: Experimental Crystal Structure Determination

description: Related Article: Sonila Xhafa,  Corrado Di Nicola,  Alessia Tombesi,  Riccardo Pettinari,  Claudio Pettinari,  Francesca Scarpelli,  Alessandra Crispini,  Massimo La Deda,  Angela Candreva,  Alessia Garufi,  Gabriella D’Orazi,  Agustín Galindo,  Fabio Marchetti|2024|J.Med.Chem.|67|15676|doi:10.1021/acs.jmedchem.4c01298
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.cc2k6rdy
title: CCDC 2359980: Experimental Crystal Structure Determination

description: Related Article: Sonila Xhafa,  Corrado Di Nicola,  Alessia Tombesi,  Riccardo Pettinari,  Claudio Pettinari,  Francesca Scarpelli,  Alessandra Crispini,  Massimo La Deda,  Angela Candreva,  Alessia Garufi,  Gabriella D’Orazi,  Agustín Galindo,  Fabio Marchetti|2024|J.Med.Chem.|67|15676|doi:10.1021/acs.jmedchem.4c01298
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.cc2k6rfz
title: CCDC 2359981: Experimental Crystal Structure Determination

description: Related Article: Sonila Xhafa,  Corrado Di Nicola,  Alessia Tombesi,  Riccardo Pettinari,  Claudio Pettinari,  Francesca Scarpelli,  Alessandra Crispini,  Massimo La Deda,  Angela Candreva,  Alessia Garufi,  Gabriella D’Orazi,  Agustín Galindo,  Fabio Marchetti|2024|J.Med.Chem.|67|15676|doi:10.1021/acs.jmedchem.4c01298
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.cc2k7dks
title: CCDC 2360605: Experimental Crystal Structure Determination

description: Related Article: Chang Liu,  Chuan Liu,  Xin Ji,  Weili Zhao,  Xiaochun Dong|2024|J.Med.Chem.|67|15908|doi:10.1021/acs.jmedchem.4c01641
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: 10.25345/c5bk1719j
title: MassIVE MSV000095919 - GNPS_mice Brain Carnitine treatment Trypanosoma cruzi infection HILIC negative
title: The experiment were performed in a mouse model of chronic Trypanosoma cruzi infection. Five-week old male Swiss Webster mice were infected with 5x105 T. cruzi strain Sylvio x10/4 tissue culture-derived trypomastigotes by IP injection. At 10 weeks post-infection, mice were assigned as uninfected control, infected and receiving vehicle, infected and receiving 100mg/kg/day BZ, infected an receiving L-carnitine. Immediately following the last treatment dose, mice were fasted for 6h, then received 1mg/g of labeled 13C palmitate(long-chain fatty acid) or 13C tetracosanoic acid (very long-chain faty acid) by IP injection. 3h later animals were euthanized, plasma collected, perfused and brain immediately collected, snap-frozen and stored at -80C. Metabolites were extracted from the brain tissue using aqueous phase retained and used for Liquid chromatography separation.
DOI: 10.15468/dl.rtxhmr
title: Occurrence Download

description: A dataset containing 62277737 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "MediaType is Image"
 ]
}

 The dataset includes 62277737 records from 1209 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024970-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.13821487
title: Data for '3D Radio Frequency Mapping and Polarization Observations Show Lightning is Ignited by Cosmic-ray Shower' by Shao et al., 2024

description: Data for manuscript "3D Radio Frequency Mapping and Polarization Observations Show Lightning is Ignited by Cosmic-ray Shower"
DOI: 10.5281/zenodo.13821488
title: Data for '3D Radio Frequency Mapping and Polarization Observations Show Lightning is Ignited by Cosmic-ray Shower' by Shao et al., 2024

description: Data for manuscript "3D Radio Frequency Mapping and Polarization Observations Show Lightning is Ignited by Cosmic-ray Shower"
DOI: 10.15468/dl.ahh679
title: Occurrence Download

description: A dataset containing 271 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Specimen, Material citation, Material sample)",
 "DatasetKey is one of (LACM Vertebrate Collection, NMNH Extant Specimen Records (USNM, US), Colección de Reptiles del Museo de Zoología QCAZ, Colección de reptiles del Museo de Historia Natural \"Gustavo Orcés V.\" de la Escuela Politécnica Nacional, KUBI Herpetology Collection, University of Michigan Museum of Zoology, Division of Reptiles & Amphibians, Colección de Herpetología del Instituto de Ciencias Naturales (ICN-MHN-Her), Colección Herpetológica (Reptiles) del Museo de Historia Natural de la Universidad Industrial de Santander, CM Herps Collection, Colección de Reptiles - Museo de Herpetología de la Universidad de Antioquia)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "PublishingOrg is one of (493fe050-055d-11d8-b84f-b8a03c50a862, bc092ff0-02e4-11dc-991f-b8a03c50a862, e62f0c10-13a1-4306-bdad-1e0a4c27d0d0, f3a1a103-ba87-4b9d-90e4-b12db3a80e1c, b554c320-0560-11d8-b851-b8a03c50a862, 6ea87510-0561-11d8-b851-b8a03c50a862, 6c147991-c3bf-453d-a778-3bea9a534804, eac88d99-9f6c-4031-8fc4-8088f0e0dfe7, c1da06f0-580e-11dc-8a9e-b8a03c50a862, ada9d123-ddb4-467d-8891-806ea8d94230, cccff716-2694-4209-9f9e-2f7a484465a0)",
 "TaxonKey is Bothriechis schlegelii (Berthold, 1846)",
 "Year 1950-2024"
 ]
}

 The dataset includes 271 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024986-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vsgpyu
title: Occurrence Download

description: A dataset containing 870 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Specimen, Material citation, Material sample)",
 "DatasetKey is one of (Colección de Reptiles del Museo de Zoología QCAZ, Digitalización y Sistematización de las Colecciones Biológicas Nacionales del Instituto de Biología, UNAM (vertebrados), University of Michigan Museum of Zoology, Division of Reptiles & Amphibians, Fortalecimiento de las colecciones de ECOSUR. Primera fase (Herpetológica Chetumal), Colección de Reptiles - Museo de Herpetología de la Universidad de Antioquia, NMNH Extant Specimen Records (USNM, US), UCM Amphibian and Reptile Collection (Arctos), Colección de Herpetología del Instituto de Ciencias Naturales (ICN-MHN-Her), LACM Vertebrate Collection, Colección Científica de Referencia Zoológica del Chocó- Herpetología)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "PublishingOrg is one of (e62f0c10-13a1-4306-bdad-1e0a4c27d0d0, ff90b050-c256-11db-b71b-b8a03c50a862, 6ea87510-0561-11d8-b851-b8a03c50a862, cccff716-2694-4209-9f9e-2f7a484465a0, bc092ff0-02e4-11dc-991f-b8a03c50a862, 4cadac10-3e7b-11d9-8439-b8a03c50a862, eac88d99-9f6c-4031-8fc4-8088f0e0dfe7, 493fe050-055d-11d8-b84f-b8a03c50a862, 073e52d4-44bd-41d7-bdfa-88c2735c694b)",
 "TaxonKey is Bothrops asper (Garman, 1883)",
 "Year 1950-2024"
 ]
}

 The dataset includes 870 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024987-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.13821489
title: Pre-existing natural variations of adult neurogenesis and anxiety predict hierarchical social status of inbred male mice.

description: CVS files and image files of all data presented in the correcponding figures.
DOI: 10.5281/zenodo.13821490
title: Pre-existing natural variations of adult neurogenesis and anxiety predict hierarchical social status of inbred male mice.

description: CVS files and image files of all data presented in the correcponding figures.
DOI: 10.15468/dl.2pbf7b
title: Occurrence Download

description: A dataset containing 280 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "Continent is Europe",
 "Country is Spain",
 "Geometry POLYGON((-7.07884 35.89603,-1.71064 35.89603,-1.71064 38.14618,-7.07884 38.14618,-7.07884 35.89603))",
 "HasGeospatialIssue is false",
 "TaxonKey is Quercus canariensis Willd."
 ]
}

 The dataset includes 280 records from 21 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024988-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.13819824
title: Exploring zero-shot structure-based protein fitness prediction

description: This repository contains data used in Exploring zero-shot structure-based protein fitnessprediction.

Directions to use this data can be found on our GitHub repository.



experimental_struct_artifacts contains the experimentally determined structures for ProteinGym assays used in our analysis along with the reference file needed to generate ESM inverse folding predictions for these structures in ProteinGym.

results contains the prediction results obtained by running SSEmb on the 216 ProteinGym assays being considered in this study.

test.tar.gz contains all the structures from ProteinGym as well as MSAs generated using mmseqs2. To use this directory:



Setup SSEmb as directed in its repository

Download this file and extract it in the data folder.
DOI: 10.5281/zenodo.13821399
title: Exploring zero-shot structure-based protein fitness prediction

description: This repository contains data used in Exploring zero-shot structure-based protein fitnessprediction.

Directions to use this data can be found on our GitHub repository.



experimental_struct_artifacts contains the experimentally determined structures for ProteinGym assays used in our analysis along with the reference file needed to generate ESM inverse folding predictions for these structures in ProteinGym.

results contains the prediction results obtained by running SSEmb on the 216 ProteinGym assays being considered in this study.

test.tar.gz contains all the structures from ProteinGym as well as MSAs generated using mmseqs2. To use this directory:



Setup SSEmb as directed in its repository

Download this file and extract it in the data folder.
DOI: 10.15468/dl.tzshdg
title: Occurrence Download

description: A dataset containing 1887 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Caracal caracal (Schreber, 1776)"
 ]
}

 The dataset includes 1887 records from 89 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024989-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.7556675
title: Changes in belowground biodiversity during ecosystem development

description: Dataset from Delgado-Baquerizo et al. 2019
DOI: 10.6084/m9.figshare.7556675.v1
title: Changes in belowground biodiversity during ecosystem development

description: Dataset from Delgado-Baquerizo et al. 2019
DOI: 10.6084/m9.figshare.27078571
title: Contractile response parameters of aorta to Phenylephrine in the presence of potassium channel activators

description: The tables show the contractile response parameters (Emin, Emax, EC50, and pD2) of the aorta to Phenylephrine in the presence of potassium channel activators (nicorandil, NS1619, and flupirtine).
DOI: 10.6084/m9.figshare.27078571.v1
title: Contractile response parameters of aorta to Phenylephrine in the presence of potassium channel activators

description: The tables show the contractile response parameters (Emin, Emax, EC50, and pD2) of the aorta to Phenylephrine in the presence of potassium channel activators (nicorandil, NS1619, and flupirtine).
DOI: 10.15468/dl.qsthap
title: Occurrence Download

description: A dataset containing 3296 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Ecuador",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Falco peregrinus Tunstall, 1771"
 ]
}

 The dataset includes 3296 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024991-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.9p693n
title: Occurrence Download

description: A dataset listing the 2 species recorded in GBIF matching the query:
{
 "TaxonKey" : [
 "is Caenolestes caniventer Anthony, 1921"
 ]
}

 The dataset's 2 records were derived from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024990-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.k874p8
title: Occurrence Download

description: A dataset containing 5000 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Peucaea cassinii (Woodhouse, 1852)",
 "Year is 2016"
 ]
}

 The dataset includes 5000 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024992-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.rc2ruf
title: Occurrence Download

description: A dataset containing 12040 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "MediaType is Image",
 "TaxonKey is Hackelia Opiz ex Berchtold"
 ]
}

 The dataset includes 12040 records from 181 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024994-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.hnzqrh
title: Occurrence Download

description: A dataset containing 12040 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "MediaType is Image",
 "TaxonKey is Hackelia Opiz ex Berchtold"
 ]
}

 The dataset includes 12040 records from 181 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024993-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.8uzpug
title: Occurrence Download

description: A dataset containing 16 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Orbicella cavernosa (Linnaeus, 1767)"
 ]
}

 The dataset includes 16 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005823-170714134226665/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7ss7rq
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "ScientificName is one of (Myoxocephalus scorpius)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0149012-230224095556074/datasets/export for details.
DOI: 10.15468/dl.pqc6c3
title: Occurrence Download

description: A dataset containing 175884 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-67 44.82,-65.5 44.82,-65.5 46,-67 46,-67 44.82))",
 "IucnRedListCategory is LC",
 "TaxonKey is Passeriformes",
 "Year 2012-2022"
 ]
}

 The dataset includes 175884 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0116096-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zwn4un
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "ScientificName is one of (Metridium farcimen)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0149027-230224095556074/datasets/export for details.
DOI: 10.15468/dl.4whkg7
title: Occurrence Download

description: A dataset containing 48 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 }
 ]
 },
 "FamilyKey is Orussidae",
 "Year is greater than or equal to 2004",
 "Year is less than or equal to 2023"
 ]
}

 The dataset includes 48 records from 13 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0197460-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.m8n37t
title: Occurrence Download

description: A dataset containing 83 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Sarcoglottis metallica (Rolfe) Schltr."
 ]
}

 The dataset includes 83 records from 30 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0197458-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.