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Entry ID	Original Release date	Data summary	Entry Title	Citation Title	Authors
36661	2025-10-05	Chemical Shifts: 1 set	Solution structure of PA2072 CHASE4 monomer.	Extracellular protein structure of PA2072.	J F Zhang, Y Zhang, Z Lin
21102	2023-09-15	Chemical Shifts: 2 sets	Structure of Amphotericin B-Ergosterol Complex	Tuning sterol extraction kinetics yields a renal sparing polyene antifungal	Agnieszka Lewandowska, Andres S Arango, Anna M SantaMaria, Anuj Khandelwal, Arun Maji, Ashraf S Ibrahim, Brice E Uno, Chad M Rienstra, Charles D Schwieters, Collin G Borcik, Corinne P Soutar, David R Andes, Eman G Youssef, Evgeny Nimerovsky, Ganesh Murhade, Gina Johns, Hiram Sanchez, Jiabao Zhang, Joanna Krise, Jordan T Holler, Justin D Lange, Keith L Bailey, Ken Bartizal, Kieren A Marr, Martin D Burke, Michael J Hageman, Nathan P Wiederhold, Patrick J Roady, Praveen R Juvvadi, Su Yan, Taras V Pogorelov, Teclegiorgis Gebremariam, Thomas F Patterson, Timothy M Fan, William J Steinbach, Yinghuan Lyu, Yogesh Shelke
30827	2021-01-25	Chemical Shifts: 1 set	Solution NMR structure of the dimeric form of the cyclic plant protein PDP-23 in H2O	A chameleonic macrocyclic peptide with drug delivery applications	A S Jayasena, A Song, B Franke, C D Payne, C Eliasson, C E McAleese, F Hajiaghaalipour, G Vadlamani, J S Mylne, J Zhang, K J Rosengren, M F Fisher, R F Minchin, R J Clark
30830	2021-01-25	Chemical Shifts: 1 set	Solution NMR structure of the cyclic plant protein PDP-23 in DPC micelles	A chameleonic macrocyclic peptide with drug delivery applications	A S Jayasena, A Song, B Franke, C D Payne, C Eliasson, C E McAleese, F Hajiaghaalipour, G Vadlamani, J S Mylne, J Zhang, K J Rosengren, M F Fisher, R F Minchin, R J Clark
30829	2021-01-25	Chemical Shifts: 1 set	Solution NMR structure of the cyclic plant protein PDP-23 in SDS micelles	A chameleonic macrocyclic peptide with drug delivery applications	A S Jayasena, A Song, B Franke, C D Payne, C Eliasson, C E McAleese, F Hajiaghaalipour, G Vadlamani, J S Mylne, J Zhang, K J Rosengren, M F Fisher, R F Minchin, R J Clark
30828	2021-01-25	Chemical Shifts: 1 set	Solution NMR structure of the monomeric form of the cyclic plant protein PDP-23 in CD3CN/H2O	A chameleonic macrocyclic peptide with drug delivery applications	A S Jayasena, A Song, B F Franke, C D Payne, C Eliasson, C E McAleese, F Hajiaghaalipour, G Vadlamani, J S Mylne, J Zhang, K J Rosengren, M F Fisher, R F Minchin, R J Clark
30748	2020-10-19	Chemical Shifts: 1 set Spectral_peak_list: 1 set	Solution structure of vicilin-buried peptide-10 from cucumber	Defining the Familial Fold of the Vicilin-Buried Peptide Family	Colton D Payne, Grishma Vadlamani, Jingjing Zhang, Joshua S Mylne, K Johan J Rosengren, Mark F Fisher, Richard J Clark
30749	2020-10-19	Chemical Shifts: 1 set Spectral_peak_list: 1 set	Solution structure of the seed peptide C2 (VBP-1) from pumpkin	Defining the Familial Fold of the Vicilin-Buried Peptide Family	Colton D Payne, Grishma Vadlamani, Jingjing Zhang, Joshua S Mylne, K Johan J Rosengren, Mark F Fisher, Richard J Clark
30590	2019-08-07	Chemical Shifts: 1 set Spectral_peak_list: 1 set	Structure of WHB in complex with Ubiquitin Variant	Protein engineering of a ubiquitin-variant inhibitor of APC/C identifies a cryptic K48 ubiquitin chain binding site.	B A Schulman, C RR Grace, D Haselbach, D J Miller, D L Bolhuis, E R Watson, E T Kulko, H Stark, I F Davidson, J M Peters, J R Prabu, N G Brown, R Vollrath, S S Sidhu, S Yu, W Zhang
30580	2019-04-18	Chemical Shifts: 1 set	NMR solution structure of vicilin-buried peptide-8 (VBP-8)	An ancient peptide family buried within vicilin precursors.	B Pouvreau, C D Payne, H Schaefer, J S Mylne, J Whelan, J Zhang, K J Rosengren, M F Fisher, N L Taylor, O Berkowitz
30579	2019-04-18	Chemical Shifts: 1 set	NMR solution structure of vicilin-buried peptide-8 (VBP-8)	An ancient peptide family buried within vicilin precursors.	B Pouvreau, C D Payne, H Schaefer, J S Mylne, J Whelan, J Zhang, K J Rosengren, M F Fisher, N L Taylor, O Berkowitz
36154	2025-10-11	Chemical Shifts: 1 set	An anthrahydroquino-Gama-pyrone synthase Txn09	Enzymology of Anthraquinone-g-Pyrone Ring Formation in Complex Aromatic Polyketide Biosynthesis.	Chunxi Wang, Chunyang Cao, Gong-Li L Tang, Hai-Xue X Pan, Mei Zhang, Song Meng, Wenxian Lan, Xian-Feng F Hou, Yu-Jiao J Song
36151	2025-10-11	Chemical Shifts: 1 set	An anthrahydroquino-Gama-pyrone synthase Txn09 complexed with PDM	Enzymology of Anthraquinone-g-Pyrone Ring Formation in Complex Aromatic Polyketide Biosynthesis.	Chunxi Wang, Chunyang Cao, Gong-Li L Tang, Hai-Xue X Pan, Mei Zhang, Song Meng, Wenxian Lan, Xian-Feng F Hou, Yu-Jiao J Song
27289	2018-02-08	Chemical Shifts: 1 set	Structure of the 30 kDa HIV-1 RNA Dimerization Signal by a Hybrid Cryo-EM, NMR and Molecular Dynamics Approach	Structure of the 30 kDa HIV-1 RNA Dimerization Signal by a Hybrid Cryo-EM, NMR, and Molecular Dynamics Approach	Carly A Sciandra, David A Case, Jan Marchant, Kaiming Zhang, Michael F Schmid, Michael F Summers, Muyuan Chen, Rossitza N Irobalieva, Sarah C Keane, Steven J Ludtke, Su Zhaoming, Verna Van, Wah Chiu, Xiao Heng
30343	2018-03-01	Chemical Shifts: 1 set Spectral_peak_list: 3 sets	PawL-Derived Peptide PLP-10 (trans conformer)	A family of small, cyclic peptides buried in preproalbumin since the Eocene epoch	Aleksandra W Debowski, Bahar Behsaz, James Whelan, Jingjing Zhang, Joshua S Mylne, Mark F Fisher, Mark J Howard, Nicolas L Taylor, Oliver Berkowitz, Pavel A Pevzner
30344	2018-03-01	Chemical Shifts: 1 set Spectral_peak_list: 3 sets	PawL-Derived Peptide PLP-10 (cis conformer)	A family of small, cyclic peptides buried in preproalbumin since the Eocene epoch	Aleksandra W Debowski, Bahar Behsaz, James Whelan, Jingjing Zhang, Joshua S Mylne, Mark F Fisher, Mark J Howard, Nicolas L Taylor, Oliver Berkowitz, Pavel A Pevzner
30341	2018-03-01	Chemical Shifts: 1 set Spectral_peak_list: 4 sets	PawL-Derived Peptide PLP-2	A family of small, cyclic peptides buried in preproalbumin since the Eocene epoch	Aleksandra W Debowski, Bahar Behsaz, James Whelan, Jingjing Zhang, Joshua S Mylne, Mark F Fisher, Mark J Howard, Nicolas L Taylor, Oliver Berkowitz, Pavel A Pevzner
30337	2018-03-01	Chemical Shifts: 1 set Spectral_peak_list: 1 set	PawL-Derived Peptide PLP-12	A family of small, cyclic peptides buried in preproalbumin since the Eocene epoch	Aleksandra W Debowski, Bahar Behsaz, James Whelan, Jingjing Zhang, Joshua S Mylne, Mark F Fisher, Mark J Howard, Nicolas L Taylor, Oliver Berkowitz, Pavel A Pevzner
30338	2018-03-01	Chemical Shifts: 1 set Spectral_peak_list: 2 sets	PawL-Derived Peptide PLP-4	A family of small, cyclic peptides buried in preproalbumin since the Eocene epoch	Aleksandra W Debowski, Bahar Behsaz, James Whelan, Jingjing Zhang, Joshua S Mylne, Mark F Fisher, Mark J Howard, Nicolas L Taylor, Oliver Berkowitz, Pavel A Pevzner
30206	2017-02-20	Chemical Shifts: 1 set Spectral_peak_list: 1 set	Solution structures of Brd2 second bromodomain in complex with stat3 peptide	Distinct Roles of Brd2 and Brd4 in Potentiating the Transcriptional Program for Th17 Cell Differentiation	A Jaganathan, C Chen, C-H, C Ren, D R Littman, F Zhang, G Lu, H Xiong, J Lee, J-Y, K L Cheung, L Zeng, M H Kaplan, M J Walsh, M R Olson, M Zhou, Q Zhang, R Sharma, T Konuma, T Shen, W Zhang
30186	2017-08-03	Chemical Shifts: 1 set Spectral_peak_list: 1 set	NMR structure of holo-PS1	De novo design of a hyperstable non-natural protein-ligand complex with sub-angstrom accuracy.	Alison M Maxwell, David N Beratan, Jeff Rawson, Michael J Therien, Nicholas F Polizzi, Shao-Qing Q Zhang, Thomas Lemmin, William F DeGrado, Yibing Wu
30185	2017-08-03	Chemical Shifts: 1 set Spectral_peak_list: 2 sets	NMR structure of apo-PS1	De novo design of a hyperstable non-natural protein-ligand complex with sub-angstrom accuracy.	Alison M Maxwell, David N Beratan, Jeff Rawson, Michael J Therien, Nicholas F Polizzi, Shao-Qing Q Zhang, Thomas Lemmin, William F DeGrado, Yibing Wu
26783	2018-06-19	Chemical Shifts: 1 set	APC11 binding Ubiquitin Variant	Dual RING E3 Architectures Regulate Multiubiquitination and Ubiquitin Chain Elongation by APC/C.	Alban Ordureau, Brenda A Schulman, Brian Kuhlman, Christy Grace, Darcie J Miller, David Haselbach, David Yanishevski, Edmond R Watson, Florian Weissmann, Georg Petzold, Holger Stark, Iain F Davidson, Jan-Michael M Peters, Joseph S Harrison, J Wade W Harper, Kuen-Phon P Wu, Marc A Jarvis, Marc W Kirschner, Masaya Yamaguchi, Michael R Brunner, Nicholas G Brown, Peter Y Mercredi, Prakash Dube, Renping Qiao, Ryan VanderLinden, Sachdev S Sidhu, Shanshan Yu, Wei Zhang, Ying Lu
26785	2018-06-19	Chemical Shifts: 1 set	APC11 in complex with Ubiquitin Variant	Dual RING E3 Architectures Regulate Multiubiquitination and Ubiquitin Chain Elongation by APC/C.	Alban Ordureau, Brenda A Schulman, Brian Kuhlman, Christy Grace, Darcie J Miller, David Haselbach, David Yanishevski, Edmond R Watson, Florian Weissmann, Georg Petzold, Holger Stark, Iain F Davidson, Jan-Michael M Peters, Joseph S Harrison, J Wade W Harper, Kuen-Phon P Wu, Marc A Jarvis, Marc W Kirschner, Masaya Yamaguchi, Michael R Brunner, Nicholas G Brown, Peter Y Mercredi, Prakash Dube, Renping Qiao, Ryan VanderLinden, Sachdev S Sidhu, Shanshan Yu, Wei Zhang, Ying Lu
26784	2018-06-19	Chemical Shifts: 1 set	Ubiquitin Variant in complex with APC11	Dual RING E3 Architectures Regulate Multiubiquitination and Ubiquitin Chain Elongation by APC/C.	Alban Ordureau, Brenda A Schulman, Brian Kuhlman, Christy Grace, Darcie J Miller, David Haselbach, David Yanishevski, Edmond R Watson, Florian Weissmann, Georg Petzold, Holger Stark, Iain F Davidson, Jan-Michael M Peters, Joseph S Harrison, J Wade W Harper, Kuen-Phon P Wu, Marc A Jarvis, Marc W Kirschner, Masaya Yamaguchi, Michael R Brunner, Nicholas G Brown, Peter Y Mercredi, Prakash Dube, Renping Qiao, Ryan VanderLinden, Sachdev S Sidhu, Shanshan Yu, Wei Zhang, Ying Lu
18831	2013-06-24	Chemical Shifts: 1 set	Solution structure of U14Ub1, an engineered ubiquitin variant with increased affinity for USP14	Conformational dynamics control ubiquitin-deubiquitinase interactions and influence in vivo signaling.	Aaron H Phillips, Christian N Cunningham, Christine Tam, Donald S Kirkpatrick, Elizabeth Helgason, Jacob E Corn, James Lee, Jeremy M Murray, Lijuan Zhou, Micah Steffek, Peter S Liu, Wayne J Fairbrother, William F Forrest, Yingnan Zhang
15606	2008-07-29	Chemical Shifts: 1 set	SOCS box elonginBC ternary complex	The SOCS Box Domain of SOCS3: Structure and Interaction with the ElonginBC-Cullin5 Ubiquitin Ligase	Alfreda Soetopo, Jeffrey J Babon, Jennifer K Sabo, Jian-Guo Zhang, Micheal F Bailey, Nicos A Nicola, Raymond S Norton, Shenggen Yao
15590	2008-05-29	Chemical Shifts: 1 set	Merozoite surface protein 2 in 10 mM HOAc	Solution Conformation, backbone dynamics and lipid interactions of the intrinsically unstructured malaria surface protein MSP2	Andrew Low, Christopher G Adda, Matthew A Perugini, Raymond S Norton, Robin F Anders, Shenggen Yao, Vicent J Murphy, Xuecheng Zhang
15377	2008-03-13	Chemical Shifts: 1 set	Solution structure of human DESR1	Solution structure of human DESR1, a CSL zinc-binding protein.	Fangming Wu, F Yang, H Huang, J Sun, J Wu, J Zhang, M Yu, P Ji, W Chu, Y Shi, Z Wu
4941	2002-01-23	Chemical Shifts: 1 set	The Three-dimensional Structure of the C-terminal DNA-binding Domain of Human Ku70	The Three-dimensional Structure of the C-terminal DNA-binding Domain of Human Ku70	David J Chen, Donghai Lin, F Chen, Lingyang Zhu, Yuan Chen, Ziming Zhang
4615	2002-01-23	Chemical Shifts: 1 set	Solution Structure of PAFP-S: A new Knottin-type Antifungal Peptide from the seeds of Phytolacca americana	Solution Structure of PAFP-S: A new Knottin-type Antifungal Peptide from the seeds of Phytolacca americana	D C Wang, G H Gao, J F Wang, J X Dai, W Liu, Y Zhang, Z Hu
bmse500001	2010-03-30	: sets	Androstenedione		A Guo, A M Weljie, B D Sykes, C Fung, C Knox, D Arndt, D Block, D Cheng, D Clive, D D Hau, D S Wishart, D Tzur, F Bamforth, G Amegbey, G D Macinnis, G E Duggan, H J Vogel, I Forsythe, J Miniaci, J Wagner, K Jeroncic, K Jewell, L Li, L Nikolai, L Querengesser, M A Coutouly, M Clements, M Gebremedhin, M Lewis, N Guo, N Young, P Stothard, P Tang, R Dowlatabadi, R Eisner, R Greiner, S Sawhney, S Shrivastava, T Marrie, Y Zhang