cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2q1ql3
title: CCDC 2504105: Experimental Crystal Structure Determination

description: Related Article: Jun Zhu, Zhong‐Wen Chen, Teng‐Yu Huang, Xu‐Dong Wang, Yu‐Fei Ao, Qi‐Qiang Wang, De‐Xian Wang|2026|Eur.J.Org.Chem.|29|e202501180|doi:10.1002/ejoc.202501180
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/bmr25316
title: pH-dependent random coil 1H, 13C, and 15N chemical shifts of the ionizable amino acids: a guide for protein pKa measurements
DOI: 10.5517/ccdc.csd.cc2q1wb0
title: CCDC 2504252: Experimental Crystal Structure Determination

description: Related Article: Jun Zhu, Zhong‐Wen Chen, Teng‐Yu Huang, Xu‐Dong Wang, Yu‐Fei Ao, Qi‐Qiang Wang, De‐Xian Wang|2026|Eur.J.Org.Chem.|29|e202501180|doi:10.1002/ejoc.202501180
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/bmr25317
title: pH-dependent random coil 1H, 13C, and 15N chemical shifts of the ionizable amino acids: a guide for protein pKa measurements
DOI: 10.13018/bmr25318
title: pH-dependent random coil 1H, 13C, and 15N chemical shifts of the ionizable amino acids: a guide for protein pKa measurements
DOI: 10.5517/ccdc.csd.cc2lp2p2
title: CCDC 2403544: Experimental Crystal Structure Determination

description: Related Article: Xiao-Lin Ye, Sobhan Rezayati, Fahime Bigdeli, Le Yang, Kuan-Guan Liu, Jianyu Wei, Ali Morsali|2026|Dalton Trans.|||doi:10.1039/d5dt02009c
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/bmr25319
title: pH-dependent random coil 1H, 13C, and 15N chemical shifts of the ionizable amino acids: a guide for protein pKa measurements
DOI: 10.5517/ccdc.csd.cc2q3m3l
title: CCDC 2505919: Experimental Crystal Structure Determination

description: Related Article: Xiang Liu, Mingyang Chen, Peng Liao, Yitai Fu, Qian Wang, Yan-Long Ma, Hua Cao|2026|Org.Chem.Front.|||doi:10.1039/d6qo00063k
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.cc2q1tcz
title: CCDC 2504191: Experimental Crystal Structure Determination

description: Related Article: Rayan Chakraborty, Benjamin Bobay, Xixi Qin, Volker Blum, David B. Mitzi|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c21300
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/bmr25320
title: pH-dependent random coil 1H, 13C, and 15N chemical shifts of the ionizable amino acids: a guide for protein pKa measurements
DOI: 10.5517/ccdc.csd.cc2q1td0
title: CCDC 2504192: Experimental Crystal Structure Determination

description: Related Article: Rayan Chakraborty, Benjamin Bobay, Xixi Qin, Volker Blum, David B. Mitzi|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c21300
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.cc2q1tf1
title: CCDC 2504193: Experimental Crystal Structure Determination

description: Related Article: Rayan Chakraborty, Benjamin Bobay, Xixi Qin, Volker Blum, David B. Mitzi|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c21300
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/bmr25321
title: pH-dependent random coil 1H, 13C, and 15N chemical shifts of the ionizable amino acids: a guide for protein pKa measurements
DOI: 10.5517/ccdc.csd.cc2q1tg2
title: CCDC 2504194: Experimental Crystal Structure Determination

description: Related Article: Rayan Chakraborty, Benjamin Bobay, Xixi Qin, Volker Blum, David B. Mitzi|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c21300
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/bmr25322
title: pH-dependent random coil 1H, 13C, and 15N chemical shifts of the ionizable amino acids: a guide for protein pKa measurements
DOI: 10.5517/ccdc.csd.cc2q1th3
title: CCDC 2504195: Experimental Crystal Structure Determination

description: Related Article: Rayan Chakraborty, Benjamin Bobay, Xixi Qin, Volker Blum, David B. Mitzi|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c21300
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/bmr25323
title: pH-dependent random coil 1H, 13C, and 15N chemical shifts of the ionizable amino acids: a guide for protein pKa measurements
DOI: 10.5517/ccdc.csd.cc2q1tj4
title: CCDC 2504196: Experimental Crystal Structure Determination

description: Related Article: Rayan Chakraborty, Benjamin Bobay, Xixi Qin, Volker Blum, David B. Mitzi|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c21300
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.cc2q1tk5
title: CCDC 2504197: Experimental Crystal Structure Determination

description: Related Article: Rayan Chakraborty, Benjamin Bobay, Xixi Qin, Volker Blum, David B. Mitzi|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c21300
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/bmr25324
title: NMR solution structure of ligand-free OAA
DOI: 10.5517/ccdc.csd.cc2q1tl6
title: CCDC 2504198: Experimental Crystal Structure Determination

description: Related Article: Rayan Chakraborty, Benjamin Bobay, Xixi Qin, Volker Blum, David B. Mitzi|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c21300
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/bmr25325
title: NMR Chemical Shifts of the hybrid protein Beta-Synuclien HC
DOI: 10.5517/ccdc.csd.cc2qb4z6
title: CCDC 2512208: Experimental Crystal Structure Determination

description: Related Article: Yuntao Li, Xu Wang, Anqi Li, Jixing Zhao, Shi-Wu Li, Shengwen Yang, Zhifei Zhao|2026|New J.Chem.|||doi:10.1039/d6nj00029k
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/bmr25326
title: The structure of the carboxy-terminal domain of DNTTIP1
DOI: 10.5517/ccdc.csd.cc2qc1ms
title: CCDC 2513065: 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.cc2qc1pv
title: CCDC 2513067: 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/bmr25327
title: Bd0108
DOI: 10.5517/ccdc.csd.cc2pyr0f
title: CCDC 2501235: 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/bmr25328
title: Backbone assignment of the homodimer HUA2 from E.coli
DOI: 10.5517/ccdc.csd.cc2pyr1g
title: CCDC 2501236: 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.cc2pyr2h
title: CCDC 2501237: 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/bmr25329
title: Backbone Assignment Of the homodimer HUB2 from E.coli at 293K
DOI: 10.5517/ccdc.csd.cc2pyr3j
title: CCDC 2501238: 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.cc2pyr4k
title: CCDC 2501239: 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/bmr25330
title: Backbone Assignment of the heterodimer HUAB from E. coli at 293K
DOI: 10.5517/ccdc.csd.cc2pyr5l
title: CCDC 2501240: 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/bmr25331
title: Solution structure of Family 1 Carbohydrate-Binding Module from Trichoderma reesei Cel7A with O-mannose residues at Thr1 and Ser3
DOI: 10.5517/ccdc.csd.cc2qbstp
title: CCDC 2512823: 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/bmr25332
title: Family 1 Carbohydrate-Binding Module from Trichoderma reesei Cel7A with O-mannose residues at Thr1, Ser3, and Ser14
DOI: 10.5517/ccdc.csd.cc2qdp50
title: CCDC 2514632: Experimental Crystal Structure Determination

description: Related Article: Dahye Kim, Yuko Kishida, Haruki Sugiyama, Naruhiko Adachi, Yusuke Yamada, Hidehiro Uekusa, Il Won Kim|2026|Cryst.Growth Des.|||doi:10.1021/acs.cgd.6c00045
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.cc2qds42
title: CCDC 2514724: Experimental Crystal Structure Determination

description: Related Article: Dahye Kim, Yuko Kishida, Haruki Sugiyama, Naruhiko Adachi, Yusuke Yamada, Hidehiro Uekusa, Il Won Kim|2026|Cryst.Growth Des.|||doi:10.1021/acs.cgd.6c00045
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/bmr25333
title: BILE SALT RECOGNITION BY HUMAN LIVER FATTY ACID BINDING PROTEIN
DOI: 10.13018/bmr25334
title: Hybrid structure of the Type 1 Pilus of Uropathogenic E.coli
DOI: 10.5517/ccdc.csd.cc2qzk1b
title: CCDC 2531802: Experimental Crystal Structure Determination

description: Related Article: Heinemann, F. W., Pinto, P., Zenneck, U.|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.cc2qzk2c
title: CCDC 2531803: Experimental Crystal Structure Determination

description: Related Article: Heinemann, F. W., Pinto, P., Zenneck, U.|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/bmr25335
title: Backbone and 1H assignments for VG16KRKP, an antimicrobial peptide in LPS
DOI: 10.5517/ccdc.csd.cc2qzk3d
title: CCDC 2531804: Experimental Crystal Structure Determination

description: Related Article: Heinemann, F. W., Pinto, P., Zenneck, U.|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/bmr25336
title: Backbone assignments for cyclophilin from Geobacillus Kaustophilus with saturating concentrations of the model peptide GSFGPDLRAGD
DOI: 10.13018/bmr25337
title: Backbone assignments for human Cyclophilin A with saturating concentrations of the model peptide GSFGPDLRAGD
DOI: 10.5517/ccdc.csd.cc2qzk5g
title: CCDC 2531806: Experimental Crystal Structure Determination

description: Related Article: Heinemann, F. W., Huguet Torrell, S., Zenneck, U.|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/bmr25338
title: Backbone assignments for human Cyclophilin B with saturating concentrations of the model peptide GSFGPDLRAGD
DOI: 10.5517/ccdc.csd.cc2qzk6h
title: CCDC 2531807: Experimental Crystal Structure Determination

description: Related Article: Heinemann, F. W., Huguet Torrell, S., Zenneck, U.|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.cc2r021x
title: CCDC 2532298: Experimental Crystal Structure Determination

description: Related Article: Parashuram Sharma|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/bmr25339
title: Backbone amide assignments for human Cyclophilin C with saturating concentrations of the model peptide GSFGPDLRAGD
DOI: 10.13018/bmr25340
title: Backbone assignments for human Cyclophilin D with saturating concentrations of the model peptide GSFGPDLRAGD
DOI: 10.5517/ccdc.csd.cc2r05kj
title: CCDC 2532407: Experimental Crystal Structure Determination

description: Related Article: Marcus Marcus.Gallagher-Jones|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.cc2r0rn6
title: CCDC 2532968: Experimental Crystal Structure Determination

description: Related Article: Martin Nieger, J. Chris Slootweg, Ibtissam Habibi|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/bmr25341
title: Backbone assignments for human Cyclophilin C
DOI: 10.15468/dl.u549xa
title: Occurrence Download

description: A dataset containing 99 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Peru",
 "TaxonKey is Biancaea decapetala"
 ]
}

 The dataset includes 99 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0003286-260225131425191/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.13018/bmr25342
title: NMR structure of the protein YP_193882.1 from Lactobacillus acidophilus NCFM in presence of FMN
DOI: 10.13018/bmr25343
title: Talin-F3 / RIAM N-terminal Peptide complex
DOI: 10.13018/bmr25344
title: Calcium bound calmodulin C-terminal domain, E140Q mutant
DOI: 10.13018/bmr25345
title: Second calciumbinding domain from P. falciparum CDPK3
DOI: 10.13018/bmr25346
title: MG200 EAGR box
DOI: 10.13018/bmr25347
title: Solution structure of 53BP1 tandem Tudor domains in complex with a p53K370me2 peptide