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3,655
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Dataset results
3,655 results for “Structural data”
Raw diffraction data for structure of SARS-CoV-2 main protease with PCM-0102340 (ID: mpro-x0692 / PDB: 5REL)
Raw diffraction data for mpro-x0692 / PDB ID 5REL (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5REL) - SARS-CoV-2 main protease in complex with PCM-0102340 (SMILES:Cc1cccc(CN2CCN(CC2)C(=O)CCl)c1) collected as part of an XChem crystallographic fragment screening campaign on beamline i04-1 at Diamond Light Source. The deposited structure was automatically processed with standard Diamond tools and PanDDA, however the raw data are being made available to allow reanalysis by any interested party. For more details see: https://www.diamond.ac.uk/covid-19/for-scientists/Main-protease-structure-and-XChem.html
Raw diffraction data for structure of SARS-CoV-2 main protease with Z2856434856 (ID: mpro-x0669 / PDB: 5REI)
Raw diffraction data for mpro-x0669 / PDB ID 5REI (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5REI) - SARS-CoV-2 main protease in complex with Z2856434856 (SMILES:ClC=1C=CC=C(CN2CCOCC2)C1) collected as part of an XChem crystallographic fragment screening campaign on beamline i04-1 at Diamond Light Source. The deposited structure was automatically processed with standard Diamond tools and PanDDA, however the raw data are being made available to allow reanalysis by any interested party. For more details see: https://www.diamond.ac.uk/covid-19/for-scientists/Main-protease-structure-and-XChem.html
Raw diffraction data for structure of SARS-CoV-2 main protease with Z24758179 (ID: mpro-x0478 / PDB: 5REF)
Raw diffraction data for mpro-x0478 / PDB ID 5REF (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5REF) - SARS-CoV-2 main protease in complex with Z24758179 (SMILES:COC(=O)C=1C=CC=C(NS(=O)(=O)C)C1) collected as part of an XChem crystallographic fragment screening campaign on beamline i04-1 at Diamond Light Source. The deposited structure was automatically processed with standard Diamond tools and PanDDA, however the raw data are being made available to allow reanalysis by any interested party. For more details see: https://www.diamond.ac.uk/covid-19/for-scientists/Main-protease-structure-and-XChem.html
Raw diffraction data for structure of SARS-CoV-2 main protease with Z2217052426 (ID: mpro-x0464 / PDB: 5REE)
Raw diffraction data for mpro-x0464 / PDB ID 5REE (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5REE) - SARS-CoV-2 main protease in complex with Z2217052426 (SMILES:CC1C(O)CCCN1CC=2C=CC=CC2) collected as part of an XChem crystallographic fragment screening campaign on beamline i04-1 at Diamond Light Source. The deposited structure was automatically processed with standard Diamond tools and PanDDA, however the raw data are being made available to allow reanalysis by any interested party. For more details see: https://www.diamond.ac.uk/covid-19/for-scientists/Main-protease-structure-and-XChem.html
Raw diffraction data for structure of SARS-CoV-2 main protease with Z1545313172 (ID: mpro-x0499 / PDB: 5REG)
Raw diffraction data for mpro-x0499 / PDB ID 5REG (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5REG) - SARS-CoV-2 main protease in complex with Z1545313172 (SMILES:NC(=O)C=1C=CC(NC(=O)[C@@H]2CCCO2)=CC1) collected as part of an XChem crystallographic fragment screening campaign on beamline i04-1 at Diamond Light Source. The deposited structure was automatically processed with standard Diamond tools and PanDDA, however the raw data are being made available to allow reanalysis by any interested party. For more details see: https://www.diamond.ac.uk/covid-19/for-scientists/Main-protease-structure-and-XChem.html
Raw diffraction data for structure of SARS-CoV-2 main protease with Z44592329 (ID: mpro-x0434 / PDB: 5R83)
Raw diffraction data for mpro-x0434 / PDB ID 5R83 (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5R83) - SARS-CoV-2 main protease in complex with Z44592329 (SMILES:O=C(NC=1C=CC=CC1)NC=2C=CC=NC2) collected as part of an XChem crystallographic fragment screening campaign on beamline i04-1 at Diamond Light Source. The deposited structure was automatically processed with standard Diamond tools and PanDDA, however the raw data are being made available to allow reanalysis by any interested party. For more details see: https://www.diamond.ac.uk/covid-19/for-scientists/Main-protease-structure-and-XChem.html
Raw diffraction data for structure of SARS-CoV-2 main protease with Z2856434865 (ID: mpro-x0398 / PDB: 5RED)
<p>Raw diffraction data for mpro-x0398 / PDB ID 5RED (see: https://www.ebi.ac.uk/pdbe/entry/pdb/ 5RED) - SARS-CoV-2 main protease in complex with Z2856434865 (SMILES:C(CN1CCOCC1)SC=2C=CC=CC2) collected as part of an XChem crystallographic fragment screening campaign on beamline i04-1 at Diamond Light Source. The deposited structure was automatically processed with standard Diamond tools and PanDDA, however the raw data are being made available to allow reanalysis by any interested party. For more details see: https://www.diamond.ac.uk/covid-19/for-scientists/Main-protease-structure-and-XChem.html</p>
Raw diffraction data for structure of SARS-CoV-2 main protease with Z1587220559 (ID: mpro-x0390 / PDB: 5REC)
Raw diffraction data for mpro-x0390 / PDB ID 5REC (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5REC) - SARS-CoV-2 main protease in complex with Z1587220559 (SMILES:OC=1C=CC=CC1CNC2=NC=3C=CC=CC3N2) collected as part of an XChem crystallographic fragment screening campaign on beamline i04-1 at Diamond Light Source. The deposited structure was automatically processed with standard Diamond tools and PanDDA, however the raw data are being made available to allow reanalysis by any interested party. For more details see: https://www.diamond.ac.uk/covid-19/for-scientists/Main-protease-structure-and-XChem.html
Raw diffraction data for structure of SARS-CoV-2 main protease with Z2856434899 (ID: mpro-x0387 / PDB: 5REB)
Raw diffraction data for mpro-x0387 / PDB ID 5REB (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5REB) - SARS-CoV-2 main protease in complex with Z2856434899 (SMILES:OC1CCN(CC=2C=CSC2)CC1) collected as part of an XChem crystallographic fragment screening campaign on beamline i04-1 at Diamond Light Source. The deposited structure was automatically processed with standard Diamond tools and PanDDA, however the raw data are being made available to allow reanalysis by any interested party. For more details see: https://www.diamond.ac.uk/covid-19/for-scientists/Main-protease-structure-and-XChem.html
Raw diffraction data for structure of SARS-CoV-2 main protease with Z2856434836 (ID: mpro-x0354 / PDB: 5RE9)
Raw diffraction data for mpro-x0354 / PDB ID 5RE9 (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5RE9) - SARS-CoV-2 main protease in complex with Z2856434836 (SMILES:CN1CCN(CC1)C(=O)COC=2C=CC(C)=CC2) collected as part of an XChem crystallographic fragment screening campaign on beamline i04-1 at Diamond Light Source. The deposited structure was automatically processed with standard Diamond tools and PanDDA, however the raw data are being made available to allow reanalysis by any interested party. For more details see: https://www.diamond.ac.uk/covid-19/for-scientists/Main-protease-structure-and-XChem.html
Raw diffraction data for structure of SARS-CoV-2 main protease with Z54571979 (ID: mpro-x0194 / PDB: 5RE6)
Raw diffraction data for mpro-x0194 / PDB ID 5RE6 (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5RE6) - SARS-CoV-2 main protease in complex with Z54571979 (SMILES:CC(=O)NC=1C=CC(OC=2N=CC=CN2)=CC1) collected as part of an XChem crystallographic fragment screening campaign on beamline i04-1 at Diamond Light Source. The deposited structure was automatically processed with standard Diamond tools and PanDDA, however the raw data are being made available to allow reanalysis by any interested party. For more details see: https://www.diamond.ac.uk/covid-19/for-scientists/Main-protease-structure-and-XChem.html
Raw diffraction data for structure of SARS-CoV-2 main protease with Z219104216 (ID: mpro-x0305 / PDB: 5R82)
Raw diffraction data for mpro-x0305 / PDB ID 5R82 (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5R82) - SARS-CoV-2 main protease in complex with Z219104216 (SMILES:CCNC=1C=CC(C#N)=CN1) collected as part of an XChem crystallographic fragment screening campaign on beamline i04-1 at Diamond Light Source. The deposited structure was automatically processed with standard Diamond tools and PanDDA, however the raw data are being made available to allow reanalysis by any interested party. For more details see: https://www.diamond.ac.uk/covid-19/for-scientists/Main-protease-structure-and-XChem.html
Raw diffraction data for structure of SARS-CoV-2 main protease with Z30932204 (ID: mpro-x0336 / PDB: 5RE7)
Raw diffraction data for mpro-x0336 / PDB ID 5RE7 (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5RE7) - SARS-CoV-2 main protease in complex with Z30932204 (SMILES:CC(=O)NCC=1C=CC(=CC1)S(=O)(=O)N) collected as part of an XChem crystallographic fragment screening campaign on beamline i04-1 at Diamond Light Source. The deposited structure was automatically processed with standard Diamond tools and PanDDA, however the raw data are being made available to allow reanalysis by any interested party. For more details see: https://www.diamond.ac.uk/covid-19/for-scientists/Main-protease-structure-and-XChem.html
Raw diffraction data for structure of SARS-CoV-2 main protease with Z1367324110 (ID: mpro-x0195 / PDB: 5R81)
Raw diffraction data for mpro-x0195 / PDB ID 5R81 (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5R81) - SARS-CoV-2 main protease in complex with Z1367324110 (SMILES:CN1CCCC=2C=CC(=CC12)S(=O)(=O)N) collected as part of an XChem crystallographic fragment screening campaign on beamline i04-1 at Diamond Light Source. The deposited structure was automatically processed with standard Diamond tools and PanDDA, however the raw data are being made available to allow reanalysis by any interested party. For more details see: https://www.diamond.ac.uk/covid-19/for-scientists/Main-protease-structure-and-XChem.html
Raw diffraction data for structure of SARS-CoV-2 main protease with Z18197050 (ID: mpro-x0161 / PDB: 5R80)
Raw diffraction data for mpro-x0161 / PDB ID 5R80 (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5R80) - SARS-CoV-2 main protease in complex with Z18197050 (SMILES:COC(=O)C=1C=CC(=CC1)S(=O)(=O)N) collected as part of an XChem crystallographic fragment screening campaign on beamline i04-1 at Diamond Light Source. The deposited structure was automatically processed with standard Diamond tools and PanDDA, however the raw data are being made available to allow reanalysis by any interested party. For more details see: https://www.diamond.ac.uk/covid-19/for-scientists/Main-protease-structure-and-XChem.html
Raw diffraction data for structure of SARS-CoV-2 main protease with Z33545544 (ID: mpro-x0177 / PDB: 5RE5)
Raw diffraction data for mpro-x0177 / PDB ID 5RE5 (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5RE5) - SARS-CoV-2 main protease in complex with Z33545544 (SMILES:NC(=O)C1CCN(CC1)C(=O)NC=2C=CC=CC2) collected as part of an XChem crystallographic fragment screening campaign on beamline i04-1 at Diamond Light Source. The deposited structure was automatically processed with standard Diamond tools and PanDDA, however the raw data are being made available to allow reanalysis by any interested party. For more details see: https://www.diamond.ac.uk/covid-19/for-scientists/Main-protease-structure-and-XChem.html
A model of the subpacket structure of rising tone chorus emissions - wave data
<p>This file contains the wave data obtained from simulation and used in the paper "A model of the subpacket structure of rising tone chorus emissions" submitted to JGR:Space Physics. All data are in Python Numpy binaries. Files hs.npy and ts.npy contain 1D numpy arrays of space and time coordinates of the grid covering the simulation domain. Files mus_full.npy, oms_full.npy, omws_fill.npy and phs_full.npy contain 2D numpy arrays of the refractive index, normalized wave frequency, normalized wave amplitude and wave phase, respectively. File tinds.npy gives the starting and ending points in time of each subpacket, at the spatial coordinate of the source. File input.dat contains a dictionary type data with input parameters used in the simulation.</p>
Investigating the dynamics of microbial consortia in spatially structured environments - Source Data
<p>Source data and model code for the following publication:</p> <p><strong>Investigating the dynamics of microbial consortia in spatially structured environments</strong></p>
Data from: Structure from motion photogrammetry: does the choice of software matter for Ecology?
Structure-from-Motion (SfM) and Multiview-Stereo (MVS) is emerging as a flexible, self-service, remote sensing tool for generating fine-grained digital surface models (DSMs) in the Earth sciences and ecology. However, drone-based SfM+MVS applications have developed at a rapid pace over the past decade and there are now many software options available for data processing. Consequently, understanding of reproducibility issues caused by variations in software choice and their influence on data quality is relatively poorly understood. This understanding is crucial for the development of SfM+MVS if it is to fulfil a role as a new quantitative remote sensing tool to inform management frameworks and species conservation schemes. To address this knowledge gap, a lightweight multirotor drone carrying a Ricoh GR II consumer-grade camera was used to capture replicate, centimetre-resolution image datasets of a temperate, intensively managed grassland ecosystem. These data allowed the exploration of method reproducibility and the impact of SfM+MVS software choice on derived vegetation canopy height measurement accuracy. The quality of DSM height measurements derived from four different, yet widely used SfM-MVS software – Photoscan, Pix4D, 3DFlow Zephyr and MICMAC, were compared with in-situ sward height data captured on the same day as image capture. Using the same replicate image dataset (n=3) as input we demonstrate that there are 1.7, 2.0 and 2.5 cm differences in RMSE (excluding one outlier) between the outputs from different SfM+MVS software using "High", "Medium" and "Low" quality settings, respectively. Furthermore, we show that there can be a significant difference, although of small overall magnitude between replicate image datasets (n=3) processed using the same SfM+MVS software, following the same workflow, with a variance in RMSE of up to 1.3, 1.5 and 2.7 cm (excluding one outlier) for "High", "Medium" and "Low" quality settings, respectively. We conclude that SfM+MVS software choice does matter.
Data from: Sexual selection in complex communities: integrating interspecific reproductive interference in structured populations
The social structure of populations plays a key role in shaping variation in sexual selection. In nature, sexual selection occurs in communities of interacting species, however heterospecifics are rarely included in characterisations of social structure. Heterospecifics can influence the reproductive outcomes of intrasexual competition by interfering with intraspecific sexual interactions (interspecific reproductive interference; IRI). We outline the need for studies of sexual selection to incorporate heterospecifics as part of the social environment. We use simulations to show that classic predictions for the effect of social structure on sexual selection are altered by an interaction between social structure and IRI. This interaction has wide-ranging implications for patterns of sexual conflict and kin-selected reproductive strategies in socially structured populations. Our work bridges the gap between sexual selection research on social structure and IRI, and highlights future directions to study sexual selection in interacting communities.
ScienceDex guides
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These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.
Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.