| 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
|
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
|
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
|
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
|
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
|
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
|
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
|
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
|
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
|
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
|
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
|
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
|
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
|
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
|
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
|
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
|
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
|
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.
|
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.
|
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.
|
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
|
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
|
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
|
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
|
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.
|
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.
|
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.
|
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
|
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
|
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
|
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
|
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
|
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 |
|
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 |