Entry ID | Original Release date | Data summary | Entry Title | Citation Title | Authors |
---|---|---|---|---|---|
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 |
36489 | 2023-07-28 | Chemical Shifts: 1 set |
Solution structure of T. brucei RAP1 |
The RRM-mediated RNA binding activity in T. brucei RAP1 is essential for VSG monoallelic expression.
|
A K Gaurav, A Saha, B B Li, M Afrin, M J Zhang, X H Pan, X Yang, Y X Zhao, Z Y Ji |
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 |
31018 | 2023-03-14 | Chemical Shifts: 1 set Spectral_peak_list: 3 sets |
NMR solution structure of the De novo designed small beta-barrel protein 33_bp_sh3 |
De novo design of small beta barrel proteins
|
A Kang, A K Bera, A Saleem, B F Volkman, C M Chow, D Baker, D E Kim, D Feldman, D R Jensen, D Tischer, F C Peterson, H Nguyen, L Carter, L Milles, S Ovchinnikov, X Li |
31017 | 2023-03-14 | Chemical Shifts: 1 set |
NMR solution structure of the De novo designed small beta-barrel protein 29_bp_sh3 |
De novo design of small beta barrel proteins
|
A Kang, A K Bera, A Saleem, B F Volkman, C M Chow, D Baker, D E Kim, D Feldman, D R Jensen, D Tischer, F C Peterson, H Nguyen, L Carter, L Milles, S Ovchinnikov, X Li |
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 |
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 |
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 |
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 |
30801 | 2021-03-19 | Chemical Shifts: 1 set |
NMR solution structures of tirasemtiv drug bound to a fast skeletal troponin C-troponin I complex |
Structural Basis of Tirasemtiv Activation of Fast Skeletal Muscle
|
B D Sykes, J J Hartman, M X Li, P Mercier |
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 |
30562 | 2019-03-28 | Chemical Shifts: 1 set |
Solution structure of SFTI-KLK5 inhibitor |
Amino Acid Scanning at P5' within the Bowman-Birk Inhibitory Loop Reveals Specificity Trends for Diverse Serine Proteases.
|
A M White, C Y Li, D J Craik, J E Swedberg, J M Harris, S J de Veer, X Chen |
36207 | 2018-12-19 | Chemical Shifts: 1 set |
The NMR Structure of the Polysialyltranseferase Domain (PSTD) in Polysialyltransferase ST8siaIV |
The Inhibition of Polysialyltranseferase ST8SiaIV Through Heparin Binding to Polysialyltransferase Domain (PSTD)
|
Bo Lu, Dong Chen, Feng Zhou, Frederic A Troy, Guo-Ping P Zhou, Ji-Min M Huang, Li-Xin X Peng, Ri-Bo B Huang, Si-Ming M Liao, Xue-Hui H Liu |
36105 | 2017-08-29 | Chemical Shifts: 1 set |
Solution structure of arenicin-3 derivative N6 |
Antibacterial and detoxifying activity of NZ17074 analogues with multi-layers of selective antimicrobial actions against Escherichia coli and Salmonella enteritidis
|
D Teng, J Wang, N Yang, R Mao, X Liu, X M Wang, X Wang, Y Hao, Z Li |
36106 | 2017-08-29 | Chemical Shifts: 1 set |
Solution structure of arenicin-3 derivative N1 |
Antibacterial and detoxifying activity of NZ17074 analogues with multi-layers of selective antimicrobial actions against Escherichia coli and Salmonella enteritidis
|
D Teng, J Wang, N Yang, R Mao, X Liu, X M Wang, X Wang, Y Hao, Z Li |
36107 | 2017-08-29 | Chemical Shifts: 1 set |
Solution structure of arenicin-3 derivative N2 |
Antibacterial and detoxifying activity of NZ17074 analogues with multi-layers of selective antimicrobial actions against Escherichia coli and Salmonella enteritidis
|
D Teng, J Wang, N Yang, R Mao, X Liu, X M Wang, X Wang, Y Hao, Z Li |
30308 | 2017-07-10 | Chemical Shifts: 1 set |
NMR structure of the N-domain of troponin C bound to switch region of troponin I and 3-methyldiphenylamine |
Structures reveal details of small molecule binding to cardiac troponin.
|
B D Sykes, F Cai, F West, M X Li, P M Hwang, S E Pineda-Sanabria, S Gelozia, S Lindert |
30288 | 2017-05-19 | Chemical Shifts: 1 set Spectral_peak_list: 3 sets |
NMR structure of the N-domain of troponin C bound to switch region of troponin I |
Structures reveal details of small molecule binding to cardiac troponin.
|
B D Sykes, F Cai, F West, M X Li, P M Hwang, S E Pineda-Sanabria, S Gelozia, S Lindert |
17243 | 2011-06-01 | Chemical Shifts: 1 set |
The Solution Structure of Human Cardiac Troponin C in complex with the Green Tea Polyphenol; (-)-epigallocatechin-3-gallate |
Solution structure of human cardiac troponin C in complex with the green tea polyphenol, (-)-epigallocatechin 3-gallate.
|
Brian D Sykes, Ian M Robertson, Monica X Li |
17103 | 2010-09-08 | Chemical Shifts: 1 set |
The structure of the calcium-sensitizer, dfbp-o, in complex with the N-domain of troponin C and the switch region of troponin I |
A structural and functional perspective into the mechanism of Ca(2+)-sensitizers that target the cardiac troponin complex.
|
Brian D Sykes, Ian M Robertson, Monica X Li, Yin-Biao Sun |
7067 | 2006-11-17 | Chemical Shifts: 1 set |
Human Nogo-A functional domain: nogo60 |
Nogo goes in the pure water: solution structure of Nogo-60 and design of the structured and buffer-soluble Nogo-54 for enhancing CNS regeneration
|
J X Liu, J X Song, M F Li |
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 |
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 |
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 |