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Entry ID	Original Release date	Data summary	Entry Title	Citation Title	Authors
31169	2024-05-30	Chemical Shifts: 1 set	Solution structure of the scorpion toxin omega-Buthitoxin-Hf1a	Novel Scorpion Toxin omega-Buthitoxin-Hf1a Selectively Inhibits Calcium Influx via Ca V 3.3 and Ca V 3.2 and Alleviates Allodynia in a Mouse Model of Acute Postsurgical Pain.	C D Payne, D Wang, E Bourinet, J Zhuang, K J Rosengren, L Ragnarsson, M M Hasan, P F Alewood, R J Lewis, V Herzig, Z Dekan
34838	2023-11-06	Chemical Shifts: 1 set	Short RNA binding to peptide amyloids	An Analysis of Nucleotide-Amyloid Interactions Reveals Selective Binding to Codon-Sized RNA.	A Knorlein, C Kreutz, D Klingler, J Greenwald, J Hall, J Wang, J Zehnder, N Schroder, O Gampp, P Guntert, R Cadalbert, R Riek, S K Rout, T Wiegand
51479	2022-09-30	Chemical Shifts: 1 set	Androgen Receptor AF1star	Rational optimization of a transcription factor activation domain inhibitor	Albert Escobedo, Alessandro Ruffoni, Antoni Riera, Borja Mateos, C Adriana A Banuelos, Carla Garcia-Cabau, Carolina Sanchez-Zarzalejo, Cristina Batlle, David Meierhofer, Denes Hnisz, Elzbieta Szulc, Hannes Dockx, Harpreet Kaur, Isabelle Brun-Heath, Jesus Garcia, Jiaqi Zhu, Jon K Obst, Jordann Smak, Jun Wang, Karina Pombo-Garcia, Levente Zodi, Lidia Bardia, Marianne D Sadar, Marta Frigole-Vivas, Mateusz Biesaga, Michael Lewis, Mireia Pesarrodona, Nasrin R Mawji, Paula Martinez-Cristobal, Paul Robustelli, Salvador Ventura, Shaon Basu, Stase Bielskute, Teresa Tam, Travis H Stracker, Xavier Salvatella, Xavier Verdaguer
51480	2023-11-17	Chemical Shifts: 1 set	Androgen Receptor NTD	Rational optimization of a transcription factor activation domain inhibitor	Albert Escobedo, Alessandro Ruffoni, Antoni Riera, Borja Mateos, C Adriana A Banuelos, Carla Garcia-Cabau, Carolina Sanchez-Zarzalejo, Cristina Batlle, David Meierhofer, Denes Hnisz, Elzbieta Szulc, Hannes Dockx, Harpreet Kaur, Isabelle Brun-Heath, Jesus Garcia, Jiaqi Zhu, Jon K Obst, Jordann Smak, Jun Wang, Karina Pombo-Garcia, Levente Zodi, Lidia Bardia, Marianne D Sadar, Marta Frigole-Vivas, Mateusz Biesaga, Michael Lewis, Mireia Pesarrodona, Nasrin R Mawji, Paula Martinez-Cristobal, Paul Robustelli, Salvador Ventura, Shaon Basu, Stase Bielskute, Teresa Tam, Travis H Stracker, Xavier Salvatella, Xavier Verdaguer
51476	2023-11-17	Chemical Shifts: 1 set	Androgen Receptor C-terminal NTD	Rational optimization of a transcription factor activation domain inhibitor	Albert Escobedo, Alessandro Ruffoni, Antoni Riera, Borja Mateos, C Adriana A Banuelos, Carla Garcia-Cabau, Carolina Sanchez-Zarzalejo, Cristina Batlle, David Meierhofer, Denes Hnisz, Elzbieta Szulc, Hannes Dockx, Harpreet Kaur, Isabelle Brun-Heath, Jesus Garcia, Jiaqi Zhu, Jon K Obst, Jordann Smak, Jun Wang, Karina Pombo-Garcia, Levente Zodi, Lidia Bardia, Marianne D Sadar, Marta Frigole-Vivas, Mateusz Biesaga, Michael Lewis, Mireia Pesarrodona, Nasrin R Mawji, Paula Martinez-Cristobal, Paul Robustelli, Salvador Ventura, Shaon Basu, Stase Bielskute, Teresa Tam, Travis H Stracker, Xavier Salvatella, Xavier Verdaguer
50243	2020-05-15	Chemical Shifts: 1 set Heteronuclear NOE Values: 1 set T1 Relaxation Values: 1 set T2 Relaxation Values: 1 set	Backbone (1H, 13C and 15N) Chemical Shift Assignments and 15N Relaxation Parameters for protein kinase Inhibitor alpha (PKIa) bound to cAMP-dependent protein kinase A	Multi-state recognition pathway of the intrinsically disordered protein kinase inhibitor by protein kinase A	Benjamin R Stultz, Cristina Olivieri, David D Thomas, Donald K Blumenthal, Fernando Porcelli, Geoffrey C Li, Gianluigi Veglia, Jiali Gao, Jonggul Kim, Joseph M Muretta, Manu Veliparambil Subrahmanian, Matthew Neibergall, Susan S Taylor, Yingjie Wang
50238	2020-05-15	Chemical Shifts: 1 set Heteronuclear NOE Values: 1 set T1 Relaxation Values: 1 set T2 Relaxation Values: 1 set Residual Dipolar Couplings: 2 sets	Backbone (1H, 13C and 15N) Chemical Shift Assignments and 15N Relaxation Parameters for protein kinase Inhibitor alpha (PKIa) free state	Multi-state recognition pathway of the intrinsically disordered protein kinase inhibitor by protein kinase A	Benjamin R Stultz, Cristina Olivieri, David D Thomas, Donald K Blumenthal, Fernando Porcelli, Geoffrey C Li, Gianluigi Veglia, Jiali Gao, Jonggul Kim, Joseph M Muretta, Manu Veliparambil Subrahmanian, Matthew Neibergall, Susan S Taylor, Yingjie Wang
30729	2020-06-26	Chemical Shifts: 1 set Spectral_peak_list: 1 set	NMR solution structure of a triazole bridged trypsin inhibitor based on the framework of SFTI-1	Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides.	A M White, C K Wang, D J Craik, G J King, G Wu, J E Swedberg, K Yap, P J Harvey, R HP Law, S J de Veer, T Durek
34451	2020-02-13	Chemical Shifts: 1 set	Solution structure of MacpD, a acyl carrier protein, from Pseudomonas fluorescens involved in Mupirocin biosynthesis.	A Priming Cassette Generates Hydroxylated Acyl Starter Units in Mupirocin and Thiomarinol Biosynthesis.	A J Winter, A NM Weir, C L Willis, C Williams, L Wang, M P Crump, M T Rowe, N Akter, P D Walker, P R Race, T J Simpson, Z Song
30610	2019-05-17	Chemical Shifts: 1 set	hMcl1 inhibitor complex	AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.	A C Cheng, A Coxon, A Wei, A W Roberts, B Belmontes, B Lucas, C H Benes, D A Whittington, D C Huang, D Chui, D Moujalled, E Cajulis, G Moody, G Pomilio, J Canon, J D McClanaghan, J Gong, J Houze, J P Taygerly, J Sun, K S Keegan, L Damon, L Poppe, L Zhu, M Cardozo, M Vimolratana, M Zancanella, N A Paras, P Beltran, P E Hughes, P Greninger, R K Egan, S Caenepeel, S P Brown, T Osgood, X Huang, X Wang, Y Li
27873	2019-05-09	Chemical Shifts: 2 sets Coupling Constants: 1 set Homonuclear NOE Values: 1 set	Solution structure of an alpha sheet hairpin peptide	alpha-Sheet secondary structure in amyloid beta-peptide drives aggregation and toxicity in Alzheimer's disease	Cheng-Chieh C Hsu, Christopher D Link, Colson P Tomberlin, Daniel Paris, Dylan Shea, Gabriele Varani, Jeffrey Zonderman, Joshua Cochran, Libo Wang, Matthew Carter C Childers, Mike Mullan, Natasha Paranjapye, Timothy M Bi, Valerie Daggett
30402	2018-06-21	Chemical Shifts: 2 sets	Hybrid-2 form Human Telomeric G Quadruplex in Complex with Epiberberine	Molecular Recognition of the Hybrid-2 Human Telomeric G-quadruplex by Epiberberine: Insights into Conversion of Telomeric G-quadruplex Structures.	B Onel, C Lin, D Yang, G Wu, K Wang, S Sakai, Y Shao
36143	2018-05-25	Chemical Shifts: 1 set	zinc finger domain of METTL3-METTL14 N6-methyladenosine methyltransferase	Solution structure of the RNA recognition domain of METTL3-METTL14 N6-methyladenosine methyltransferase	C Tang, D Zhang, J Huang, L Y Qin, P Yin, S Yang, T Zou, X Dong, X Wang, Y L Zhu, Z Gong
19157	2013-05-14	Chemical Shifts: 1 set	ATOMIC-RESOLUTION STRUCTURE OF A CROSS-BETA QUADRUPLET AMYLOID FIBRIL DETERMINED BY SOLID-STATE MAGIC ANGLE SPINNING NMR AND CRYO-EM	ATOMIC STRUCTURE AND HIERARCHICAL ASSEMBLY OF A CROSS-BETA AMYLOID FIBRIL.	A De simone, Anthony William Fitzpatrick, C A Waudby, C E Macphee, C M Dobson, C P Jaroniec, D K Clare, E V Orlova, G T Debelouchina, H R Mott, H R Saibil, L Wang, M A Caporini, M J Bayro, M Vendruscolo, R G Griffin, S Muller, T PJ Knowles, V Ladizhansky, V S Bajaj
18813	2012-01-15	Chemical Shifts: 1 set	The solution structure of human PHF1 in complex with H3K36me3	An H3K36 Methylation-Engaging Tudor Motif of Polycomb-like Proteins Mediates PRC2 Complex Targeting.	Ashutosh Tripathy, Bowen Xu, Brian D Strahl, C David Allis, Deyou Zheng, Dinshaw J Patel, Gang Greg Wang, Jikui Song, Ling Cai, Rui Lu, Scott B Rothbart, Shira Rockowitz, Wei-Yi Chen
18086	2012-09-04	Chemical Shifts: 1 set	GhoS (YjdK) monomer	A new type V toxin-antitoxin system where mRNA for toxin GhoT is cleaved by antitoxin GhoS	C Quiroga, D M Lord, D O Osbourne, H Y Cheng, K Zheng, M J Benedik, R Page, S H Hong, T Herrmann, T K Wood, V Sanchez-Torres, W Peti, X Wang
17688	2011-07-06	Chemical Shifts: 1 set Spectral_peak_list: 3 sets	Solution NMR Structure of Tfu_2981 from Thermobifida fusca, Northeast Structural Genomics Consortium Target TfR85A	Solution NMR Structure of Tfu_2981 from Thermobifida fusca, Northeast Structural Genomics Consortium Target TfR85A	A Eletsky, B Rost, C Ciccosanti, D K Sukumaran, D Wang, G T Montelione, H Lee, J H Prestegard, J K Everett, J L Mills, K Hamilton, R Xiao, S V S R K Pulavarti, T B Acton, Thomas Szyperski
17418	2011-05-03	Chemical Shifts: 1 set	Backbone and sidechain assignments of intein from DNA polymerase II of Pyrococcus abyssi	(1)H, (13)C, and (15)N NMR assignments of the Pyrococcus abyssi DNA polymerase II intein.	Chunyu Wang, Clayton D Albracht, Jiajing Liu, Kenneth V Mills, Roshni O Naidu, Zhenming Du
17280	2010-11-15	Chemical Shifts: 1 set Spectral_peak_list: 3 sets	Solution NMR Structure of BVU_3817 from , Northeast Structural Genomics Consortium Target BvR159	Northeast Structural Genomics Consortium Target BvR159	A Eletsky, C Ciccosanti, D Wang, G T Montelione, H Lee, J H Prestegard, J K Everett, J L Mills, K Hamilton, R Xiao, T B Acton, T Szyperski
16210	2009-05-29	Chemical Shifts: 1 set	Solution structure of JARID1A C-terminal PHD finger in complex with H3(1-9)K4me3	Haematopoietic malignancies caused by dysregulation of a chromatin-binding PHD finger	C D Allis, Dinshaw J Patel, Fabio Casadio, Gang G Wang, Haitao Li, Holger L Dormann, Jikui Song, Jun-Li Luo, Zhanxin Wang
16209	2009-05-29	Chemical Shifts: 1 set	Solution Structure of JARID1A C-terminal PHD finger	Haematopoietic malignancies caused by dysregulation of a chromatin-binding PHD finger	C D Allis, Dinshaw J Patel, Fabio Casadio, Gang G Wang, Haitao Li, Holger L Dormann, Jikui Song, Jun-Li Luo, Zhanxin Wang
15363	2008-06-25	Chemical Shifts: 1 set	A D-amino acid containing conopeptide, marmophine, from Conus marmoreus	Purification and structural characterization of a D-amino acid-containing conopeptide, conomarphin, from Conus marmoreus	C G Wang, C W Chi, F J Huang, H Jiang, L Liu, Q Wang, W H Du, X Shao, Y H Han, Y Wang
7397	2008-06-17	Chemical Shifts: 1 set	Purification and structural characterization of a D-amino acid containing conopeptide, marmophine, from Conus marmoreus	Purification and structural characterization of a D-amino acid-containing conopeptide, conomarphin, from Conus marmoreus	C Chi, C Wang, F J Huang, H Jiang, L Liu, Q Wang, W Du, X G Shao, Y H Han, Y H Wang
6815	2008-06-24	Chemical Shifts: 1 set	NMR structure of Retrocyclin-2 in SDS	Retrocyclin-2: structural analysis of a potent anti-HIV theta-defensin	A J Waring, D J Craik, K J Rosengren, M L Phillips, N L Daly, R I Lehrer, U C Marx, W Wang, Y-K Chen
6067	Unknown	Chemical Shifts: 1 set	Structure-Activity Relationships in a Sodium Channels Inhibitor Hainantoxin-Iv	Structure-Activity Relationships of Hainantoxin-IV, structure determination of active and inactive sodium channel blockers	D L Li, M Wang, Q Zhu, S P Liang, S Y Lu, X C Gu, X Xong, X Xu, Y Xiao, Z Liu
6066	2008-07-16	Chemical Shifts: 1 set	Structure-Activity Relationships in a Sodium Channels Inhibitor Hainantoxin-Iv	Structure-Activity Relationships of Hainantoxin-IV, structure determination of active and inactive sodium channel blockers	D L Li, M Wang, Q Zhu, S P Liang, S Y Lu, X C Gu, X Xong, X Xu, Y Xiao, Z Liu
5900	2004-07-23	Chemical Shifts: 3 sets	NMR structure of 16th module of Immune Adherence Receptor, Cr1 (Cd35)	Backbone dynamics of complement control protein (CCP) modules reveals mobility in binding surfaces.	C Schmitz, D Uhrin, G M Black, J M O'Leary, J P Atkinson, K Bromek, M Krych, P N Barlow, S Uhrinova, X Wang
5795	2004-09-14	Chemical Shifts: 3 sets	The Solution Structure of a Novel Type of Antifungal Peptide Distinct With a Five-disulfide Motif from Eucommia ulmoides Oliv	Solution structure of Eucommia antifungal peptide: a novel structural model distinct with a five-disulfide motif.	D C Wang, G Z Tu, Ren-Huai Huang, Y Xiang, Y Zhang
5386	2003-02-25	Chemical Shifts: 2 sets Coupling Constants: 1 set	1H, 13C, 15N Chemical Shift Assignments of cNTnC and cTnI(147-163) in the cNTnC-cTnI(147-163)-Bepridil Ternary complex	Structure of the Regulatory N-domain of Human Cardiac Troponin C in Complex with Human Cardiac Troponin I147-163 and Bepridil	Brian D Sykes, Monica X Li, Xu Wang
4994	2010-01-06	Chemical Shifts: 2 sets Coupling Constants: 1 set	Structure of the C-domain of Human Cardiac Troponin C in Complex with the Ca2+ Sensitizing Drug EMD 57033	Structure of the C-domain of Human Cardiac Troponin C in Complex with the Ca2+ Sensitizing drug EMD 57033	Brian D Sykes, Leo Spyracopoulos, Monica X Li, Murali Chandra, Norbert Beier, R John Solaro, Xu Wang
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
4506	2000-10-02	Chemical Shifts: 1 set Coupling Constants: 1 set	Solution structure of carnobacteriocin B2	Solution structure of carnobacteriocin B2 and implications for structure-activity relationships among type IIa bacteriocins from lactic acid bacteria	A C Gibbs, D S Wishart, J C Vederas, L Z Yan, M E Henz, M E Stiles, N LF Gallagher, S Chai, Y Wang
4507	2001-03-06	Chemical Shifts: 1 set	Solution Structure of Carnobacteriocin B2 and Implications for Structure- Activity Relationships Among Type IIa Bacteriocins from Lactic Acid Bacteria	Solution Structure of Carnobacteriocin B2 and Implications for Structure- Activity Relationships Among Type IIa Bacteriocins from Lactic Acid Bacteria	A C Gibbs, D S Wishart, J C Vederas, L Z Yan, M E Henz, M E Stiles, N LF Gallagher, S Chai, Y Wang
4183	1999-03-01	Chemical Shifts: 1 set	Expression and Assignment of 1H, 15N,and 13C Resonances of the C-terminal Domain of the Diphtheria Toxin Repressor	Expression and Assignment of 1H, 15N,and 13C Resonances of the C-terminal Domain of the Diphtheria Toxin Repressor	Donald LD Caspar, Gregory P Wylie, Guangshun Wang, John R Murphy, Pamela D Twigg, Timothy M Logan