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Entry ID Original Release date Data summary Entry Title Citation Title Authors
36696 2025-12-15 Chemical Shifts: 1 set
The complex of alpha-synuclein in the presence of PD6 Development of Nanomolar Affinity Miniprotein Inhibitors Targeting alpha-Synuclein Aggregation as Promising Therapeutic Agents for Parkinson’s Disease Download bibtex for citation iamge C Wang, C Zheng, H Liu, H Zhou, M K Chan, P Blasco, T H Chong, W L Ngai, X Li, Y Xiao, Z Liang
36674 2026-06-08 Chemical Shifts: 1 set
Solution structure of TMPRSS2 promoter G-quadruplex NMR Solution Structure of the Major TMPRSS2 Promoter G-Quadruplex and Its Complex with Berberine Download bibtex for citation iamge K B Wang, L Y Kong, M H Yang, S R Li, Y P Li, Y Q Zhang, Y S Liu, Y T Bian, Y Y Wang, Z Y Chen, Z Y Tang
36673 2026-06-08 Chemical Shifts: 1 set
Solution structure of free TMPRSS2 promoter G-quadruplex NMR Solution Structure of the Major TMPRSS2 Promoter G-Quadruplex and Its Complex with Berberine Download bibtex for citation iamge K B Wang, L Y Kong, M H Yang, S R Li, Y P Li, Y Q Zhang, Y S Liu, Y T Bian, Y Y Wang, Z Y Chen, Z Y Tang
31023 2022-09-08 Chemical Shifts: 1 set
Spectral_peak_list: 1 set
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TC conformation, 53%) Accurate de novo design of membrane-traversing macrocycles Download bibtex for citation iamge A K Bera, A Lauko, C Glynn, D Baker, D Craik, G Bhardwaj, G G Alpkilic, G T Montelione, J O'Connor, J Palmer, J Rodriguez, L L Dong, L Stewart, M Bick, M Di Piazza, P Hosseinzadeh, R Choi, R Griffin, R Tejero, S Rettie, T A Ramelot, T W Craven, V K Mulligan, W van Voorhis, X Li, Y H Huang
31022 2022-09-08 Chemical Shifts: 1 set
Spectral_peak_list: 2 sets
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%) Accurate de novo design of membrane-traversing macrocycles Download bibtex for citation iamge A K Bera, A Lauko, C Glynn, D Baker, D Craik, G Bhardwaj, G G Alpkilic, G T Montelione, J O'Connor, J Palmer, J Rodriguez, L L Dong, L Stewart, M Bick, M Di Piazza, P Hosseinzadeh, R Choi, R Griffin, R Tejero, S Rettie, T A Ramelot, T W Craven, V K Mulligan, W van Voorhis, X Li, Y H Huang
31021 2022-09-08 Chemical Shifts: 1 set
Spectral_peak_list: 1 set
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation) Accurate de novo design of membrane-traversing macrocycles Download bibtex for citation iamge A K Bera, A Lauko, C Glynn, D Baker, D Craik, G Bhardwaj, G G Alpkilic, G T Montelione, J O'Connor, J Palmer, J Rodriguez, L L Dong, L Stewart, M Bick, M Di Piazza, P Hosseinzadeh, R Choi, R Griffin, R Tejero, S Rettie, T A Ramelot, T W Craven, V K Mulligan, W van Voorhis, X Li, Y H Huang
31019 2022-09-08 Chemical Shifts: 1 set
Spectral_peak_list: 1 set
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching (B-TC conformation) Accurate de novo design of membrane-traversing macrocycles Download bibtex for citation iamge A K Bera, A Lauko, C Glynn, D Baker, D Craik, G Bhardwaj, G G Alpkilic, G T Montelione, J O'Connor, J Palmer, J Rodriguez, L L Dong, L Stewart, M Bick, M Di Piazza, P Hosseinzadeh, R Choi, R Griffin, R Tejero, S Rettie, T A Ramelot, T W Craven, V K Mulligan, W van Voorhis, X Li, Y H Huang
30998 2022-09-08 Chemical Shifts: 1 set
Spectral_peak_list: 1 set
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching Accurate de novo design of membrane-traversing macrocycles Download bibtex for citation iamge A K Bera, A Lauko, C Glynn, D Baker, D Craik, G Bhardwaj, G G Alpkilic, G T Montelione, J O'Connor, J Palmer, J Rodriguez, L L Dong, L Stewart, M Bick, M Di Piazza, P Hosseinzadeh, R Choi, R Griffin, R Tejero, S Rettie, T A Ramelot, T W Craven, V K Mulligan, W van Voorhis, X Li, Y H Huang
30999 2022-09-08 Chemical Shifts: 1 set
Spectral_peak_list: 1 set
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in d6-DMSO with cis/trans switching Accurate de novo design of membrane-traversing macrocycles Download bibtex for citation iamge A K Bera, A Lauko, C Glynn, D Baker, D Craik, G Bhardwaj, G G Alpkilic, G T Montelione, J O'Connor, J Palmer, J Rodriguez, L L Dong, L Stewart, M Bick, M Di Piazza, P Hosseinzadeh, R Choi, R Griffin, R Tejero, S Rettie, T A Ramelot, T W Craven, V K Mulligan, W van Voorhis, X Li, Y H Huang
31000 2022-09-08 Chemical Shifts: 1 set
Spectral_peak_list: 2 sets
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching Accurate de novo design of membrane-traversing macrocycles Download bibtex for citation iamge A K Bera, A Lauko, C Glynn, D Baker, D Craik, G Bhardwaj, G G Alpkilic, G T Montelione, J O'Connor, J Palmer, J Rodriguez, L L Dong, L Stewart, M Bick, M Di Piazza, P Hosseinzadeh, R Choi, R Griffin, R Tejero, S Rettie, T A Ramelot, T W Craven, V K Mulligan, W van Voorhis, X Li, Y H Huang
31001 2022-09-08 Chemical Shifts: 1 set
Spectral_peak_list: 1 set
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching Accurate de novo design of membrane-traversing macrocycles Download bibtex for citation iamge A K Bera, A Lauko, C Glynn, D Baker, D Craik, G Bhardwaj, G G Alpkilic, G T Montelione, J O'Connor, J Palmer, J Rodriguez, L L Dong, L Stewart, M Bick, M Di Piazza, P Hosseinzadeh, R Choi, R Griffin, R Tejero, S Rettie, T A Ramelot, T W Craven, V K Mulligan, W van Voorhis, X Li, Y H Huang
31002 2022-09-08 Chemical Shifts: 1 set
Spectral_peak_list: 1 set
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in CDCl3 with cis/trans switching Accurate de novo design of membrane-traversing macrocycles Download bibtex for citation iamge A K Bera, A Lauko, C Glynn, D Baker, D Craik, G Bhardwaj, G G Alpkilic, G T Montelione, J O'Connor, J Palmer, J Rodriguez, L L Dong, L Stewart, M Bick, M Di Piazza, P Hosseinzadeh, R Choi, R Griffin, R Tejero, S Rettie, T A Ramelot, T W Craven, V K Mulligan, W van Voorhis, X Li, Y H Huang
31003 2022-09-08 Chemical Shifts: 1 set
Spectral_peak_list: 1 set
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching Accurate de novo design of membrane-traversing macrocycles Download bibtex for citation iamge A K Bera, A Lauko, C Glynn, D Baker, D Craik, G Bhardwaj, G G Alpkilic, G T Montelione, J O'Connor, J Palmer, J Rodriguez, L L Dong, L Stewart, M Bick, M Di Piazza, P Hosseinzadeh, R Choi, R Griffin, R Tejero, S Rettie, T A Ramelot, T W Craven, V K Mulligan, W van Voorhis, X Li, Y H Huang
30997 2022-09-08 Chemical Shifts: 1 set
Spectral_peak_list: 1 set
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in d6-DMSO with cis/trans switching Accurate de novo design of membrane-traversing macrocycles Download bibtex for citation iamge A K Bera, A Lauko, C Glynn, D Baker, D Craik, G Bhardwaj, G G Alpkilic, G T Montelione, J O'Connor, J Palmer, J Rodriguez, L L Dong, L Stewart, M Bick, M Di Piazza, P Hosseinzadeh, R Choi, R Griffin, R Tejero, S Rettie, T A Ramelot, T W Craven, V K Mulligan, W van Voorhis, X Li, Y H Huang
50904 2021-11-10 Chemical Shifts: 1 set
TCPTP residues 303-387 The catalytic activity of TCPTP is auto-regulated by its intrinsically disordered tail and activated by Integrin alpha-1 Download bibtex for citation iamge Jai Prakash P Singh, Rebecca Page, Shang-Te Danny D Hsu, Tzu-Ching C Meng, Wolfgang Peti, Yang Li, Yi-Yun Y Chen
50903 2021-11-10 Chemical Shifts: 1 set
TCPTP residues 1-302 The catalytic activity of TCPTP is auto-regulated by its intrinsically disordered tail and activated by Integrin alpha-1 Download bibtex for citation iamge Jai Prakash P Singh, Rebecca Page, Shang-Te Danny D Hsu, Tzu-Ching C Meng, Wolfgang Peti, Yang Li, Yi-Yun Y Chen
50905 2021-11-10 Chemical Shifts: 1 set
TCPTP residues 303-387 RK variant The catalytic activity of TCPTP is auto-regulated by its intrinsically disordered tail and activated by Integrin alpha-1 Download bibtex for citation iamge Jai Prakash P Singh, Rebecca Page, Shang-Te Danny D Hsu, Tzu-Ching C Meng, Wolfgang Peti, Yang Li, Yi-Yun Y Chen
30714 2020-07-05 Chemical Shifts: 1 set
Solution NMR structure of Prochlorosin 2.1 produced by Prochlorococcus MIT 9313 Catalytic promiscuity in the biosynthesis of cyclic peptide secondary metabolites in planktonic marine cyanobacteria. Download bibtex for citation iamge B Li, D Rusch, D Sher, I Joewono, K Huang, L Kelly, P J Knerr, S W Chisholm, W A van der Donk, Y Shi
30713 2020-07-05 Chemical Shifts: 1 set
Solution NMR structure of Prochlorosin 2.10 produced by Prochlorococcus MIT 9313 Catalytic promiscuity in the biosynthesis of cyclic peptide secondary metabolites in planktonic marine cyanobacteria. Download bibtex for citation iamge B Li, D Rusch, D Sher, I Joewono, K Huang, L Kelly, P J Knerr, S W Chisholm, W A van der Donk, Y Shi
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. Download bibtex for citation iamge 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
30551 2019-06-17 Chemical Shifts: 1 set
Solution Structure of the Thioredoxin-like Domain of Arabidopsis NCP NCP activates chloroplast transcription by controlling phytochrome-dependent dual nuclear and plastidial switches Download bibtex for citation iamge Chan Yul Y Yoo, Detlef Weigel, Emily J Yang, Fay-Wei W Li, He Wang, Jiangxin Liu, Jun Cao, Kathleen M Pryer, Meng Chen, Pei Zhou, Tai-Ping P Sun
17908 2012-07-23 Chemical Shifts: 1 set
Solution structure Analysis of the ImKTx104 Structural and functional diversity of acidic scorpion potassium channel toxins Download bibtex for citation iamge Dan-Yun Y Zeng, Hong X Yi, Jiu-Ping W Ding, Ling Jiang, Mai-Li J Liu, Na Pan, Wen-Xin L Li, Ya-Wen He, Ying-Liang L Wu, You-Tian T Hu, Zhi-Jian P Cao, Zong-Yun Y Chen
10101 2008-08-15 Chemical Shifts: 1 set
Solution structure of four helical up-and-down bundle domain of the hypothetical rotein 2610208M17Rik similar to the protein FLJ12806 Solution structure of four helical up-and-down bundle domain of the hypothetical protein 2610208M17Rik similar to the protein FLJ12806 Download bibtex for citation iamge A Tanaka, E Seki, H Hirota, H Li, J Kawai, M Aoki, M Inoue, M Shirouzu, M Terada, M Yoshida, P Carninci, S Koshiba, S Yokoyama, T Arakawa, T Kigawa, T Matsuda, T Osanai, T Tomizawa, T Yabuki, Y Hayashizaki
6402 2005-05-23 Chemical Shifts: 1 set
Solution structure of the carbon storage regulator CsrA from E. coli Solution structure of the carbon storage regulator protein CsrA from Escherichia coli Download bibtex for citation iamge E Pomerantseva, K Gehring, M J Osborne, P Gutierrez, Q Liu, Y Li
6205 2008-07-15 Chemical Shifts: 2 sets
1H chemical shift assignments for AbaB12-DKP-insulin How Insulin Binds: the B-Chain alpha-Helix Contacts the L1 beta -Helix of the Insulin Receptor. Download bibtex for citation iamge A M Theede, B Li, B Xu, J Whittaker, K Huang, M A Weiss, P De Meyts, P G Katsoyannis, Q X Hua, R Y Wang, S H Nakagawa, S Q Hu, S Wang, Y C Chu, Y Qu
6203 2004-08-06 Chemical Shifts: 2 sets
1H chemical shift assignments for ThrB12-DKP-insulin How Insulin Binds: the B-Chain alpha-Helix Contacts the L1 beta -Helix of the Insulin Receptor. Download bibtex for citation iamge A M Theede, B Li, B Xu, J Whittaker, K Huang, M A Weiss, P De Meyts, P G Katsoyannis, Q X Hua, R Y Wang, S H Nakagawa, S Q Hu, S Wang, Y C Chu, Y Qu
6204 2004-08-06 Chemical Shifts: 4 sets
1H chemical shift assignments for AlaB12-DKP-insulin How Insulin Binds: the B-Chain alpha-Helix Contacts the L1 beta -Helix of the Insulin Receptor. Download bibtex for citation iamge A M Theede, B Li, B Xu, J Whittaker, K Huang, M A Weiss, P De Meyts, P G Katsoyannis, Q X Hua, R Y Wang, S H Nakagawa, S Q Hu, S Wang, Y C Chu, Y Qu
6201 2005-02-16 Chemical Shifts: 2 sets
Sequence specific 1H and 15N resonance assignment of domain 1 of rat CD2 with the designed calcium binding site Design of a Calcium-Binding Protein with Desired Structure in a Cell Adhesion Molecule Download bibtex for citation iamge A Kearney, A L Wilkins, H Hellinga, J J Yang, J L Urbauer, P A van der Merwe, S Y Li, Wei Yang, Y Ye, Z R 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 Download bibtex for citation iamge D L Li, M Wang, Q Zhu, S P Liang, S Y Lu, X C Gu, X Xong, X Xu, Y Xiao, Z Liu
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 Download bibtex for citation iamge D L Li, M Wang, Q Zhu, S P Liang, S Y Lu, X C Gu, X Xong, X Xu, Y Xiao, Z Liu
5674 Unknown Chemical Shifts: 1 set
THREE DIMENSIONAL SOLUTION STRUCTURE OF HAINANTOXIN-IV BY 2D 1H-NMR Three-Dimensional Solution Structure of Hainantoxin-Iv by 2D 1H-NMR Download bibtex for citation iamge D L Li, S P Liang, S Y Lu, X C Gu
5211 2002-07-12 Chemical Shifts: 2 sets
SAP/SH2D1A bound to peptide n-Y-c A "three-pronged" Binding Mechanism for the SAP/SH2D1A SH2 Domain: Structural Basis and Relevance to the XLP Syndrome Download bibtex for citation iamge C Li, C Terhorst, D R Muhandiram, F Gertler, J Forman-Kay, J Lillywhite, L E Kay, M Morra, P M Hwang, S-C Li, T Pawson
bmse500001 2010-03-30 Other data
Androstenedione Download bibtex for citation iamge 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