cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc1p13qk
title: CCDC 1550208: Experimental Crystal Structure Determination

description: Related Article: Chen Zhang, Rahul S. Patil, Charles L. Barnes, Jerry L. Atwood|2017|Chem.Commun.|53|12144|doi:10.1039/C7CC07390A
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.cc1p13rl
title: CCDC 1550209: Experimental Crystal Structure Determination

description: Related Article: Lijun Xu,  Hongyu Wang,  Changwu Zheng,  Gang Zhao|2017|Adv.Synth.Catal.|359|2942|doi:10.1002/adsc.201700321
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.cc1mfswq
title: CCDC 1502814: Experimental Crystal Structure Determination

description: Related Article: Keiji Ohno, Honami Tanuma, Yukiko Kusano, Sumio Kaizaki, Akira Nagasawa, Takashi Fujihara|2017|Dalton Trans.|46|7612|doi:10.1039/C7DT00745K
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.cc1mfsxr
title: CCDC 1502815: Experimental Crystal Structure Determination

description: Related Article: Keiji Ohno, Honami Tanuma, Yukiko Kusano, Sumio Kaizaki, Akira Nagasawa, Takashi Fujihara|2017|Dalton Trans.|46|7612|doi:10.1039/C7DT00745K
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.cc1mfsys
title: CCDC 1502816: Experimental Crystal Structure Determination

description: Related Article: Keiji Ohno, Honami Tanuma, Yukiko Kusano, Sumio Kaizaki, Akira Nagasawa, Takashi Fujihara|2017|Dalton Trans.|46|7612|doi:10.1039/C7DT00745K
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.cc1mft0w
title: CCDC 1502818: Experimental Crystal Structure Determination

description: Related Article: Keiji Ohno, Honami Tanuma, Yukiko Kusano, Sumio Kaizaki, Akira Nagasawa, Takashi Fujihara|2017|Dalton Trans.|46|7612|doi:10.1039/C7DT00745K
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.cc1p1620
title: CCDC 1550281: Experimental Crystal Structure Determination

description: Related Article: Kirana Devarahosahalli Veeranna, Kanak Kanti Das, Sundarababu Baskaran|2017|Angew.Chem.,Int.Ed.|56|16197|doi:10.1002/anie.201708138
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.cc1p1642
title: CCDC 1550283: Experimental Crystal Structure Determination

description: Related Article: Kirana Devarahosahalli Veeranna, Kanak Kanti Das, Sundarababu Baskaran|2017|Angew.Chem.,Int.Ed.|56|16197|doi:10.1002/anie.201708138
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.cc1p1653
title: CCDC 1550284: Experimental Crystal Structure Determination

description: Related Article: Kirana Devarahosahalli Veeranna, Kanak Kanti Das, Sundarababu Baskaran|2017|Angew.Chem.,Int.Ed.|56|16197|doi:10.1002/anie.201708138
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.cc1mfszt
title: CCDC 1502817: Experimental Crystal Structure Determination

description: Related Article: Keiji Ohno, Honami Tanuma, Yukiko Kusano, Sumio Kaizaki, Akira Nagasawa, Takashi Fujihara|2017|Dalton Trans.|46|7612|doi:10.1039/C7DT00745K
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.cc1p13tn
title: CCDC 1550211: Experimental Crystal Structure Determination

description: Related Article: K.R. Harshitha, B.K. Sarojini, B. Narayana, Anupam. G. Lobo,  S. Madan Kumar, K. Byrappa|2018|Chem. Data Collect.|18|121|doi:10.1016/j.cdc.2018.08.002
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.cc1npypz
title: CCDC 1540442: Experimental Crystal Structure Determination

description: Related Article: Yamei Fan,  Jiawei Li,  Yanwei Ren,  Huanfeng Jiang|2017|Eur.J.Inorg.Chem.|2017|4982|doi:10.1002/ejic.201700871
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.cc1p143z
title: CCDC 1550220: Experimental Crystal Structure Determination

description: Related Article: Weixuan Zeng, Hsin-Yu Lai, Wei-Kai Lee, Min Jiao, Yi-Jiun Shiu, Cheng Zhong, Shaolong Gong, Tao Zhou, Guohua Xie, Monima Sarma, Ken-Tsung Wong, Chung-Chih Wu, Chuluo Yang|2017|Adv.Mater.|30|1704961|doi:10.1002/adma.201704961
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.cc1p1440
title: CCDC 1550221: Experimental Crystal Structure Determination

description: Related Article: Shu-An Liu, Dirk Trauner|2017|J.Am.Chem.Soc.|139|9491|doi:10.1021/jacs.7b05046
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.cc1p1451
title: CCDC 1550222: Experimental Crystal Structure Determination

description: Related Article: Shu-An Liu, Dirk Trauner|2017|J.Am.Chem.Soc.|139|9491|doi:10.1021/jacs.7b05046
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.cc1p1462
title: CCDC 1550223: Experimental Crystal Structure Determination

description: Related Article: Shu-An Liu, Dirk Trauner|2017|J.Am.Chem.Soc.|139|9491|doi:10.1021/jacs.7b05046
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.cc1p1484
title: CCDC 1550225: Experimental Crystal Structure Determination

description: Related Article: Nicolas L. Rotta-Loria, Alicia J. Chisholm, Preston M. MacQueen, Robert McDonald, Michael J. Ferguson, Mark Stradiotto|2017|Organometallics|36|2470|doi:10.1021/acs.organomet.7b00373
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.cc1p1495
title: CCDC 1550226: Experimental Crystal Structure Determination

description: Related Article: Nicolas L. Rotta-Loria, Alicia J. Chisholm, Preston M. MacQueen, Robert McDonald, Michael J. Ferguson, Mark Stradiotto|2017|Organometallics|36|2470|doi:10.1021/acs.organomet.7b00373
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.cc1p14b6
title: CCDC 1550227: Experimental Crystal Structure Determination

description: Related Article: Nicolas L. Rotta-Loria, Alicia J. Chisholm, Preston M. MacQueen, Robert McDonald, Michael J. Ferguson, Mark Stradiotto|2017|Organometallics|36|2470|doi:10.1021/acs.organomet.7b00373
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.cc1p14c7
title: CCDC 1550228: Experimental Crystal Structure Determination

description: Related Article: Nicolas L. Rotta-Loria, Alicia J. Chisholm, Preston M. MacQueen, Robert McDonald, Michael J. Ferguson, Mark Stradiotto|2017|Organometallics|36|2470|doi:10.1021/acs.organomet.7b00373
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.cc1p14f9
title: CCDC 1550230: Experimental Crystal Structure Determination

description: Related Article: Nicolas L. Rotta-Loria, Alicia J. Chisholm, Preston M. MacQueen, Robert McDonald, Michael J. Ferguson, Mark Stradiotto|2017|Organometallics|36|2470|doi:10.1021/acs.organomet.7b00373
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.cc1p14gb
title: CCDC 1550231: Experimental Crystal Structure Determination

description: Related Article: Nicolas L. Rotta-Loria, Alicia J. Chisholm, Preston M. MacQueen, Robert McDonald, Michael J. Ferguson, Mark Stradiotto|2017|Organometallics|36|2470|doi:10.1021/acs.organomet.7b00373
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.cc1p14hc
title: CCDC 1550232: Experimental Crystal Structure Determination

description: Related Article: Nurbey Gulia and Olafs Daugulis|2017|Angew.Chem.,Int.Ed.|56|3630|doi:10.1002/anie.201611407
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.cc1p14jd
title: CCDC 1550233: Experimental Crystal Structure Determination

description: Related Article: Nurbey Gulia and Olafs Daugulis|2017|Angew.Chem.,Int.Ed.|56|3630|doi:10.1002/anie.201611407
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.cc1p14kf
title: CCDC 1550234: Experimental Crystal Structure Determination

description: Related Article: Cong Ma, Chuan-Qi Zhao, Yi-Qian Li, Li-Pu Zhang, Xue-Tao Xu, Kun Zhang, Tian-Sheng Mei|2017|Chem.Commun.|53|12189|doi:10.1039/C7CC07429H
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.cc1p14pk
title: CSD 1550238: Experimental Crystal Structure Determination

description: Related Article: Bing-Ping Yang, Chun-Li Hu, Fei-Fei Mao, Xiang Xu, Jiang-Gao Mao|2017|Inorg.Chem.|56|7230|doi:10.1021/acs.inorgchem.7b00872
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/ccdc.csd.cc1p14ql
title: CSD 1550239: Experimental Crystal Structure Determination

description: Related Article: Bing-Ping Yang, Chun-Li Hu, Fei-Fei Mao, Xiang Xu, Jiang-Gao Mao|2017|Inorg.Chem.|56|7230|doi:10.1021/acs.inorgchem.7b00872
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/ccdc.csd.cc1p14nj
title: CCDC 1550237: Experimental Crystal Structure Determination

description: Related Article: Dong-Cheng Hu, Hua Feng, Ke-Xia Shang, Ya-Jun Wu, Jing Sun, Jia-Cheng Liu|2017|Chem. Sel.|2|9024|doi:10.1002/slct.201701731
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.cc1lqt7c
title: CCDC 1481683: Experimental Crystal Structure Determination

description: Related Article: Sharad Kumar Asthana, Ajit Kumar, Neeraj, Shweta, Sumit Kumar Hira, Partha Pratim Manna, K. K. Upadhyay|2017|Inorg.Chem.|56|3315|doi:10.1021/acs.inorgchem.6b02752
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.cc1p14tp
title: CCDC 1550242: Experimental Crystal Structure Determination

description: Related Article: Agata Bartyzel|2017|Polyhedron|134|30|doi:10.1016/j.poly.2017.06.004
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.cc1p14vq
title: CCDC 1550243: Experimental Crystal Structure Determination

description: Related Article: Agata Bartyzel|2017|Polyhedron|134|30|doi:10.1016/j.poly.2017.06.004
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.kpr2m5
title: Occurrence Download

description: A dataset containing 111663 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is CLICNAT- Base de données naturaliste picarde-CLICNAT Base de données naturaliste picarde gérée par Picardie Nature",
 "Geometry POLYGON((-15.14723 43.24421,21.14723 43.24421,21.14723 57.75579,-15.14723 57.75579,-15.14723 43.24421))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Charadriiformes"
 ]
}

 The dataset includes 111663 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0055016-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xmpw65
title: Occurrence Download

description: A dataset containing 53 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Symplocos tetragona"
 ]
}

 The dataset includes 53 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0055023-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.34894/whvoqj
title: Replication Data for: Navigating the complexity of coastal seas
title: Poor representation of taxonomic and functional benthic communities by abiotic habitat classifications

description: The zip-file includes the scripts and folder framework of the project and some of the used data files. Additionally, the scripts in this project use external data; the read_me_first.txt file explains how to get this data and how to include it in the project framework.
DOI: 10.5281/zenodo.17434250
title: Click-Based Determination of Accumulation of Molecules in Escherichia coli

description: ABSTRACT

Gram-negative bacterial pathogens pose a significant challenge in drug development due to their outer membranes, which hinder the permeation of small molecules. The lack of widely adoptable methods to measure the cytosolic accumulation of compounds in bacterial cells has hindered drug discovery efforts. To address this challenge, we developed the CHloroalkane Azide Membrane Permeability (CHAMP) assay, specifically designed to assess molecule accumulation in the cytosol of Gram-negative bacteria. The CHAMP analysis utilizes biorthogonal epitopes anchored within HaloTag-expressing bacteria and measures the cytosolic arrival of azide-bearing test molecules through strain-promoted azide-alkyne cycloaddition. This workflow allows for robust and rapid accumulation measurements of thousands of azide-tagged small molecules. Our approach consistently produces a large number of accumulation profiles, significantly surpassing the scale of previous measurements in Escherichia coli (E. coli). We have validated the CHAMP assay across various chemical and biological contexts, including hyperporinated cells, membrane-permeabilized cells, and E. coli strains with impaired TolC function, a key component of the efflux pump. The CHAMP platform provides a simple, high-throughput, and accessible method that enables the analysis of over 1,000 molecules within hours. This technique addresses a critical gap in antimicrobial research and has the potential to accelerate the development of effective agents against Gram-negative pathogens.