BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

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Entry ID Data summary Entry Title Citation Title Authors
31023 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 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 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
36489 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. Download bibtex for citation iamge 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 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
31018 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 Download bibtex for citation iamge 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 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 Download bibtex for citation iamge 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 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
30997 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
30998 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 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 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 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
31003 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
30801 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 Download bibtex for citation iamge B D Sykes, J J Hartman, M X Li, P Mercier
30610 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
30562 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. Download bibtex for citation iamge A M White, C Y Li, D J Craik, J E Swedberg, J M Harris, S J de Veer, X Chen
36207 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) Download bibtex for citation iamge 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 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 Download bibtex for citation iamge D Teng, J Wang, N Yang, R Mao, X Liu, X M Wang, X Wang, Y Hao, Z Li
36106 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 Download bibtex for citation iamge D Teng, J Wang, N Yang, R Mao, X Liu, X M Wang, X Wang, Y Hao, Z Li
36107 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 Download bibtex for citation iamge D Teng, J Wang, N Yang, R Mao, X Liu, X M Wang, X Wang, Y Hao, Z Li
30308 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. Download bibtex for citation iamge B D Sykes, F Cai, F West, M X Li, P M Hwang, S E Pineda-Sanabria, S Gelozia, S Lindert
30288 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. Download bibtex for citation iamge B D Sykes, F Cai, F West, M X Li, P M Hwang, S E Pineda-Sanabria, S Gelozia, S Lindert
17243 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. Download bibtex for citation iamge Brian D Sykes, Ian M Robertson, Monica X Li
17103 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. Download bibtex for citation iamge Brian D Sykes, Ian M Robertson, Monica X Li, Yin-Biao Sun
7067 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 Download bibtex for citation iamge J X Liu, J X Song, M F Li
6203 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 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
6205 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
6066 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 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