cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2qn7pb
title: CCDC 2521902: Experimental Crystal Structure Determination

description: Related Article: Armaan Goraya, Jenny McCahill, V. S. Ajithkumar, Vaibhav Bedi, Karin Ruhlandt, Douglas W. Stephan|2026|Chem.Commun.|||doi:10.1039/d6cc00412a
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: 10.13018/bmr18261
title: NMR structure of a monomeric mutant (A72R) of major ampullate spidroin 1 N-terminal domain
DOI: 10.5517/ccdc.csd.cc2pyr6m
title: CCDC 2501241: Experimental Crystal Structure Determination

description: Related Article: John S. Wenger, Nina Gaschik, William J. Rowe, Agamemnon E. Crumpton, Bono van IJzendoorn, Meera Mehta|2026|Chemical Science|||doi:10.1039/d6sc00723f
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.cc2qbsvq
title: CCDC 2512824: Experimental Crystal Structure Determination

description: Related Article: John S. Wenger, Nina Gaschik, William J. Rowe, Agamemnon E. Crumpton, Bono van IJzendoorn, Meera Mehta|2026|Chemical Science|||doi:10.1039/d6sc00723f
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: 10.13018/bmr18262
title: NMR structure of major ampullate spidroin 1 N-terminal domain at pH 7.2
DOI: 10.5517/ccdc.csd.cc2qc1nt
title: CCDC 2513066: Experimental Crystal Structure Determination

description: Related Article: M. Ortiz-Hernández, V. I. Noguez-Maldonado, V. Salazar-Pereda, S. Gonzalez-Montiel, D. Mendoza-Espinosa, A. Suárez, C. Cristobal|2026|New J.Chem.|||doi:10.1039/d5nj04709a
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: 10.13018/bmr18263
title: Solution NMR of the specialized apo-acyl carrier protein (RPA2022) from Rhodopseudomonas palustris, Northeast Structural Genomics Consortium Target RpR324
DOI: 10.5517/ccdc.csd.cc2qc1qw
title: CCDC 2513068: Experimental Crystal Structure Determination

description: Related Article: M. Ortiz-Hernández, V. I. Noguez-Maldonado, V. Salazar-Pereda, S. Gonzalez-Montiel, D. Mendoza-Espinosa, A. Suárez, C. Cristobal|2026|New J.Chem.|||doi:10.1039/d5nj04709a
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.cc2p1ks3
title: CCDC 2474165: Experimental Crystal Structure Determination

description: Related Article: Sai Zou, Ai Zhang, Pengyu Gao, Xueyan Liu, Zhaoziyuan Yang, Qianli Li, Wei Lu|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.6c01168
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: 10.13018/bmr18265
title: WIP C-terminal domain
DOI: 10.5517/ccdc.csd.cc2p1kx7
title: CCDC 2474169: Experimental Crystal Structure Determination

description: Related Article: Sai Zou, Ai Zhang, Pengyu Gao, Xueyan Liu, Zhaoziyuan Yang, Qianli Li, Wei Lu|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.6c01168
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.cc2qq1cw
title: CCDC 2523628: Experimental Crystal Structure Determination

description: Related Article: Sai Zou, Ai Zhang, Pengyu Gao, Xueyan Liu, Zhaoziyuan Yang, Qianli Li, Wei Lu|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.6c01168
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: 10.13018/bmr18266
title: Backbone assignment of Dengue Virus NS2B/NS3 in complex with Aprotinin
DOI: 10.13018/bmr18267
title: Substrate-dependent millisecond domain motions in DNA polymerase beta
DOI: 10.5517/ccdc.csd.cc2qq1dx
title: CCDC 2523629: Experimental Crystal Structure Determination

description: Related Article: Sai Zou, Ai Zhang, Pengyu Gao, Xueyan Liu, Zhaoziyuan Yang, Qianli Li, Wei Lu|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.6c01168
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.cc2qq1fy
title: CCDC 2523630: Experimental Crystal Structure Determination

description: Related Article: Sai Zou, Ai Zhang, Pengyu Gao, Xueyan Liu, Zhaoziyuan Yang, Qianli Li, Wei Lu|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.6c01168
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: 10.13018/bmr18268
title: Unliganded (apo) C-terminal EF-hand domain from human polycystin-2
DOI: 10.5517/ccdc.csd.cc2qq1gz
title: CCDC 2523631: Experimental Crystal Structure Determination

description: Related Article: Sai Zou, Ai Zhang, Pengyu Gao, Xueyan Liu, Zhaoziyuan Yang, Qianli Li, Wei Lu|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.6c01168
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.cc2r06hh
title: CCDC 2532436: Experimental Crystal Structure Determination

description: Related Article: Dongjing Hong|2026|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: 10.13018/bmr18269
title: Solution Structure of N-Terminal domain of human Conserved Dopamine Neurotrophic Factor (CDNF)
DOI: 10.5517/ccdc.csd.cc2r0pfx
title: CCDC 2532899: Experimental Crystal Structure Determination

description: Related Article: Kento Iwai|2026|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: 10.13018/bmr18276
title: 1H, 13C and 15N chemical shifts for Salmonella Typhimurium PrgI Type three secretion system needle subunit
DOI: 10.5517/ccdc.csd.cc2r0q0j
title: CCDC 2532917: Experimental Crystal Structure Determination

description: Related Article: Nan Zhang|2026|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: 10.13018/bmr18277
title: Solution structures of KmAtg10
DOI: 10.13018/bmr18278
title: Solution Structure of FKBP12 from Aedes aegypti
DOI: 10.5517/ccdc.csd.cc2r0q1k
title: CCDC 2532918: Experimental Crystal Structure Determination

description: Related Article: Nan Zhang|2026|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.cc2r0q4n
title: CCDC 2532921: Experimental Crystal Structure Determination

description: Related Article: li shengzhong|2026|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: 10.13018/bmr18279
title: human CEB25 minisatellite G-quadruplex
DOI: 10.5517/ccdc.csd.cc2qscpl
title: CCDC 2525870: Experimental Crystal Structure Determination

description: Related Article: Stobbs, Freya, Sabin, Lucy, Bell, Andrew, Harding, Alison, Leta, Daniel, Maughn, Alex, Gammons, Richard J., Bruce, Duncan W., Cowling, Stephen J.|2026|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: 10.13018/bmr18280
title: Backbone 1H, 13C, and 15N Chemical Shift Assignments for CD81LEL
DOI: 10.5517/ccdc.csd.cc2qscqm
title: CCDC 2525871: Experimental Crystal Structure Determination

description: Related Article: Stobbs, Freya, Sabin, Lucy, Bell, Andrew, Harding, Alison, Leta, Daniel, Maughn, Alex, Gammons, Richard J., Bruce, Duncan W., Cowling, Stephen J.|2026|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: 10.13018/bmr18281
title: Solution Structure of Strawberry Allergen Fra a 1e
DOI: 10.13018/bmr18282
title: SOLUTION STRUCTURE OF THE M-PMV MYRISTOYLATED MATRIX PROTEIN
DOI: 10.13018/bmr18283
title: Assignment of E coli periplasmic protein YmgD
DOI: 10.13018/bmr18284
title: Solution structure of de novo designed antifreeze peptide 1m
DOI: 10.13018/bmr18285
title: Backbone amide assignments of HLA-DR1/CLIP complexes
DOI: 10.13018/bmr18286
title: Solution structure of de novo designed antifreeze peptide 3
DOI: 10.13018/bmr18287
title: Backbone and sidechain 1H chemical shifts for PAP248-286 (SEVI) in solution at pH 6
DOI: 10.13018/bmr18288
title: 1H, 13C and 15N chemical shift assignments of Ninjurin1 ENT domain
DOI: 10.13018/bmr18289
title: Solution structure of de novo designed peptide 4m
DOI: 10.13018/bmr18290
title: Solution NMR Structure of syc0711_d from Synechococcus sp., Northeast Structural Genomics Consortium (NESG) Target SnR212
DOI: 10.13018/bmr18291
title: Backbone 1HN, 13C, and 15N Chemical Shift Assignments for Granulocyte colony-stimulating factor
DOI: 10.13018/bmr18292
title: NMR structure of the RNA binding motif 39 (RBM39) from Mus musculus
DOI: 10.13018/bmr18293
title: Backbone 1HN, 13C, and 15N Chemical Shift Assignments for Granulocyte colony-stimulating factor A29G
DOI: 10.13018/bmr18294
title: Backbone 1HN, 13C, and 15N Chemical Shift Assignments for Granulocyte colony-stimulating factor A30G
DOI: 10.13018/bmr18295
title: Backbone 1HN, 13C, and 15N Chemical Shift Assignments for Granulocyte colony-stimulating factor A37G
DOI: 10.13018/bmr18296
title: Solution structure of BRD1 PHD2 finger
DOI: 10.13018/bmr18297
title: E2 binding surface on Uba3 beta-grasp domain undergoes a conformational transition
DOI: 10.13018/bmr18298
title: Domain interaction in Thermotoga maritima NusG
DOI: 10.13018/bmr18299
title: Solution structure of the K60A mutant of Atox1
DOI: 10.13018/bmr18300
title: Solution NMR structure of asteropusin A from marine sponge Asteropus sp.
DOI: 10.5281/zenodo.18784637
title: SOLVING A FINITE DIFFERENCE ONE-DIMENSIONAL PROBLEM USING THE PROGONKA METHOD BASED ON AN IMPLICIT SCHEME

description: In this article, a method for solving a one-dimensional heat conduction problem using an implicit finite difference scheme based on the integro-interpolation method and the sweep algorithm is considered. A non-uniform spatial difference grid and a uniform temporal grid are constructed, the differential equation is transformed into a discrete form, and as a result, a system of tridiagonal algebraic equations is obtained. Taking boundary conditions into account, an algorithm for determining the solution using the sweep (Thomas) method is presented. The forward and backward sweep stages are consistently analyzed, and the computational stability and efficiency of the method are substantiated. The proposed approach is of practical importance for accurate modeling of the temperature field in soil layers and for assessing the thermal regime of underground structures and foundation constructions.
DOI: 10.5281/zenodo.18784636
title: SOLVING A FINITE DIFFERENCE ONE-DIMENSIONAL PROBLEM USING THE PROGONKA METHOD BASED ON AN IMPLICIT SCHEME

description: In this article, a method for solving a one-dimensional heat conduction problem using an implicit finite difference scheme based on the integro-interpolation method and the sweep algorithm is considered. A non-uniform spatial difference grid and a uniform temporal grid are constructed, the differential equation is transformed into a discrete form, and as a result, a system of tridiagonal algebraic equations is obtained. Taking boundary conditions into account, an algorithm for determining the solution using the sweep (Thomas) method is presented. The forward and backward sweep stages are consistently analyzed, and the computational stability and efficiency of the method are substantiated. The proposed approach is of practical importance for accurate modeling of the temperature field in soil layers and for assessing the thermal regime of underground structures and foundation constructions.
DOI: 10.13018/bmr18301
title: Metal binding repeat 2 of the Wilson disease protein (ATP7B)
DOI: 10.13018/bmr18302
title: Solution structure of the calcium-bound CaM N-terminal domain in a complex.
DOI: 10.13018/bmr18303
title: 1H, 13C, and 15N Chemical Shift Assignments for PfPMT, a Phosphoethanolamine Methyltransferase from Plasmodium falciparum
DOI: 10.13018/bmr18304
title: Order parameters for HEWL
DOI: 10.13018/bmr18305
title: Order parameters for HEWL-chitotriose
DOI: 10.13018/bmr18306
title: Human APOBEC2 chemical shifts, RDC, NOE, and T1/T2 data
DOI: 10.13018/bmr18307
title: Human APOBEC2 chemical shifts
DOI: 10.13018/bmr18308
title: Backbone amide assignments of HLA-DR1/CLIP complexes
DOI: 10.13018/bmr18309
title: Chemical Shift 1H, 13C, 15N Assignments of N-terminal domain of Thermotoga Maritima flagellar motor protein FliG
DOI: 10.5281/zenodo.18784156
title: Spatio-temporal leaf area index mapping in open-canopy forests from Sentinel-2 imagery: evaluating hybrid and empirical approaches

description: This repository contains the complete dataset, field measurements, and source codes supporting our research on Leaf Area Index (LAI) retrieval in Open-Canopy Forests (OCFs). This data is shared to ensure full transparency, repeatability, and open-access compliance for our manuscript submitted to the journal Ecological Informatics.

The repository is organized into three main directories:01_Field_Data: Contains in-situ LAI measurements collected from two independent study sites (SS1 in 2023 and SS2 in 2016), used for model training and spatio-temporal validation.02_Empirical_Approach: Includes the extracted Sentinel-2 spectral/structural data and the source codes (scripts) used to train and evaluate standard Machine Learning Regression Algorithms (MLRAs).03_Hybrid_Approach: Contains the physical modeling framework codes (PROSPECT-D + 4SAIL2) for generating simulation Look-Up Tables (LUTs) and executing the hybrid LAI inversion based on MLRAs (SVR).

These materials allow researchers to fully reproduce our comparative analysis between standard empirical models and structurally-aware hybrid inversion frameworks.
DOI: 10.13018/bmr18310
title: Chemical Shift 1H, 13C, 15N Assignments of N-terminal domain of Thermotoga Maritima flagellar motor protein FliG bound to unlabeled FliF C-terminal peptide
DOI: 10.5281/zenodo.18784157
title: Spatio-temporal leaf area index mapping in open-canopy forests from Sentinel-2 imagery: evaluating hybrid and empirical approaches

description: This repository contains the complete dataset, field measurements, and source codes supporting our research on Leaf Area Index (LAI) retrieval in Open-Canopy Forests (OCFs). This data is shared to ensure full transparency, repeatability, and open-access compliance for our manuscript submitted to the journal Ecological Informatics.

The repository is organized into three main directories:01_Field_Data: Contains in-situ LAI measurements collected from two independent study sites (SS1 in 2023 and SS2 in 2016), used for model training and spatio-temporal validation.02_Empirical_Approach: Includes the extracted Sentinel-2 spectral/structural data and the source codes (scripts) used to train and evaluate standard Machine Learning Regression Algorithms (MLRAs).03_Hybrid_Approach: Contains the physical modeling framework codes (PROSPECT-D + 4SAIL2) for generating simulation Look-Up Tables (LUTs) and executing the hybrid LAI inversion based on MLRAs (SVR).

These materials allow researchers to fully reproduce our comparative analysis between standard empirical models and structurally-aware hybrid inversion frameworks.
DOI: 10.13018/bmr18312
title: 1H, 13C and 15N assignments of Cyclophilin A from Piriformospora indica, a plant root-colonizing basidiomycete fungus
DOI: 10.13018/bmr18313
title: Solution Structure of the A domain of talin
DOI: 10.13018/bmr18314
title: NMR structure of FOXO3a transactivation domains (CR2C-CR3) in complex with CBP KIX domain (2b3l conformation)
DOI: 10.13018/bmr18315
title: NMR structure of FOXO3a transactivation domains (CR2C-CR3) in complex with CBP KIX domain (2l3b conformation)
DOI: 10.13018/bmr18316
title: Solution structure of the C-terminal domain of the MgtC protein from Mycobacterium tuberculosis
DOI: 10.13018/bmr18317
title: Chemical shift assignments of the canecystatin-1 from Saccharum officinarum
DOI: 10.13018/bmr18318
title: Solution structure of CHCH5
DOI: 10.13018/bmr18319
title: 1H, 13C and 15N full assignment of transmembrane domain TM12 from human Y4 receptor
DOI: 10.13018/bmr18320
title: Solution Structures of RadA intein from Pyrococcus horikoshii
DOI: 10.13018/bmr18321
title: Solution structure of CRKL
DOI: 10.13018/bmr18322
title: Mrx1 reduced
DOI: 10.5281/zenodo.18784681
title: LINF_340015400

description: Amastin; Leishmania infantum (strain JPCM5)
DOI: 10.13018/bmr18323
title: Solution structure of the calcium-bound CaM C-terminal domain in a complex
DOI: 10.5281/zenodo.18784680
title: LINF_340015400

description: Amastin; Leishmania infantum (strain JPCM5)
DOI: 10.13018/bmr18324
title: Backbone Resonance Assignments of the Micro-RNA Interaction Region of Human TRBP2
DOI: 10.13018/bmr18325
title: Mrx1 oxidized
DOI: 10.5281/zenodo.18768951
title: GOWIRES v1.0: Global dataset of onshore wind turbines

description: GOWIRES (Global Onshore Wind Infrastructure and Resource Estimates) is a comprehensive global dataset of 416,417 horizontal-axis wind turbines (HAWT) across 89 countries. The dataset provides harmonized geographic coordinates, key technical specifications (rated power, rotor diameter, hub height, specific rating), and site-specific environmental characteristics for each turbine. In addition, GOWIRES includes historical (1989–2018) and future (2030–2059) wind resource metrics at the turbine scale. Wind resources are described by mean wind speed, mean wind power density, air density, power law exponents, and Weibull scale and shape parameters. Future wind resource estimates are derived from 13 statistically downscaled CMIP6 global climate models under the SSP2‑4.5 and SSP5‑8.5 scenarios. The dataset is designed to support (among others) wind energy assessment, climate impact analysis, infrastructure planning, and energy system modeling at local to global scales.

A detailed description of the dataset methodology and validation is provided in the associated Data Descriptor: 

A global dataset of onshore wind turbines with site-specific historical (1989–2018) and future (2030–2059) wind resources across 89 countries (under review at Scientific Data).