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Entry ID Original Release date Data summary Entry Title Citation Title Authors
31112 2024-01-26 Chemical Shifts: 1 set
Spectral_peak_list: 1 set
Structure of the Carboxy terminus of Oleate Hydratase The carboxy terminus causes interfacial assembly of oleate hydratase on a membrane bilayer Download bibtex for citation iamge Aaron Pitre, Carlos C Rodriguez, Charles O Rock, Christopher D Radka, Christy R Grace, Emad Tajkhorshid, Hale S Hasdemir, Michael L Oldham, M Zuhaib Z Qayyum, Patrick Rodrigues, Ravi C Kalathur, William J MacCain, Yupeng Li
31113 2024-01-26 Chemical Shifts: 1 set
Spectral_peak_list: 1 set
Carboxy terminus of Oleate Hydratase in phosphate buffer The carboxy terminus causes interfacial assembly of oleate hydratase on a membrane bilayer Download bibtex for citation iamge Aaron Pitre, Carlos C Rodriguez, Charles O Rock, Christopher D Radka, Christy R Grace, Emad Tajkhorshid, Hale S Hasdemir, Michael L Oldham, M Zuhaib Z Qayyum, Patrick Rodrigues, Ravi C Kalathur, William J MacCain, Yupeng Li
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
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 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 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 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
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
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
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
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
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
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
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
50766 2021-03-03 Chemical Shifts: 2 sets
Backbone resonance assignments of LINE-1 retrotransposable element ORF1 protein N-terminal region. Phase separation of the LINE-1 ORF1 protein is mediated by the N-terminus and coiled-coil domain. Download bibtex for citation iamge Eileen L Murphy, Gerwald Jogl, Grace Y Li, Jocelyn C Newton, John M Sedivy, Mandar T Naik, Nicolas L Fawzi
50035 2021-06-13 Chemical Shifts: 1 set
Backbone 1H, 13C, and 15N Chemical Shift Assignments for dL3D1 Backbone 1H, 13C, and 15N Chemical Shift Assignments for dL3D1 Download bibtex for citation iamge Chuchu Wang, Chunyu Jia, Chunyu Zhao, Cong Liu, Dan Li, Enquan Xu, Guoqin Feng, Houfang Long, Jin-Jian Hu, Lin Jiang, Mengrong Ma, Renxiao Wang, Shengnan Zhang, Ted M Dawson, Valina L Dawson, Xiaobo Mao, Yan-Mei Li, Yasuyoshi Kimura, Yeh-Jun Lim, Youqi Tao, Yuqing Liu, Zhenying Liu
50034 2021-06-13 Chemical Shifts: 1 set
Backbone 1H, 13C, and 15N Chemical Shift Assignments for APLP1 E1 domain Backbone 1H, 13C, and 15N Chemical Shift Assignments for APLP1 E1 domain Download bibtex for citation iamge Chuchu Wang, Chunyu Jia, Chunyu Zhao, Cong Liu, Dan Li, Enquan Xu, Guoqin Feng, Houfang Long, Jin-Jian Hu, Lin Jiang, Mengrong Ma, Renxiao Wang, Shengnan Zhang, Ted M Dawson, Valina L Dawson, Xiaobo Mao, Yan-Mei Li, Yasuyoshi Kimura, Yeh-Jun Lim, Youqi Tao, Yuqing Liu, Zhenying Liu
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
30379 2018-06-18 Chemical Shifts: 1 set
NMR structure of Sodium/Calcium Exchanger 1 (NCX1) Two-helix Bundle (THB) domain The Intracellular Loop of the Na+/Ca2+ Exchanger Contains a Novel Two-Helix Bundle Domain Download bibtex for citation iamge C Yuan, J Yuan, L Bruschweiler-Li, L Yu, M Xie, R Bruschweiler
30261 2017-07-07 Chemical Shifts: 1 set
HnRNP A1 Alters the Conformation of a Conserved Enterovirus IRES Domain to Stimulate Viral Translation HnRNP A1 Alters the Structure of a Conserved Enterovirus IRES Domain to Stimulate Viral Translation. Download bibtex for citation iamge B S Tolbert, C E Crespo-Hernandez, C E Morgan, G Brewer, M L Li, M Pollum, M Tolbert
30262 2017-07-07 Chemical Shifts: 1 set
HnRNP A1 Alters the Conformation of a Conserved Enterovirus IRES Domain to Stimulate Viral Translation HnRNP A1 Alters the Structure of a Conserved Enterovirus IRES Domain to Stimulate Viral Translation. Download bibtex for citation iamge B S Tolbert, C E Crespo-Hernandez, C E Morgan, G Brewer, M L Li, M Pollum, M Tolbert
26921 2017-05-23 Chemical Shifts: 1 set
Chemical Shift Assignments of the Connexin37 Carboxyl Terminal Domain Chemical shift assignments of the connexin37 carboxyl terminal domain Download bibtex for citation iamge Gaelle Spagnol, Hanjun Li, Janis M Burt, Paul L Spagnol, Tasha K Pontifex
25694 2016-04-25 Chemical Shifts: 1 set
Structure of constitutively monomeric CXCL12 in complex with the CXCR4 N-terminus Structure-Based Identification of Novel Ligands Targeting Multiple Sites within a Chemokine-G-Protein-Coupled-Receptor Interface Download bibtex for citation iamge Amanda M Nevins, Anthony E Getschman, Brian F Volkman, Emmanuel W Smith, Francis C Peterson, M Trent Kemp, Rongshi Li, Sai L Vankayala, Yan Liu, Yu Chen, Zhen Qiao
25371 2022-05-12 Chemical Shifts: 1 set
NMR assignments of a novel lectin from sea mussel Crenomytilus grayanus A Multivalent Marine Lectin from Crenomytilus grayanus Possesses Anti-cancer Activity through Recognizing Globotriose Gb3 Download bibtex for citation iamge Chih-Ta Henry T Chien, Chung-Yi Y Wu, Han-Ying Y Wu, I-Fan F Tu, I-Ming M Lee, Iren Wang, Jiahn-Haur H Liao, Kai-Fa F Huang, Meng-Ru R Ho, Pavel A Lukyanov, Shang-Te Danny T Hsu, Shih-Hsiung H Wu, Wei Li, Yu-Ling L Shih
17796 2011-08-26 Chemical Shifts: 1 set
Backbone chemical shift assignments for A 40 with Met35 in its reduced state Solution NMR Studies of the Ab(1-40) and Ab(1-42) Peptides Establish that the Met35 Oxidation State Affects the Mechanism of Amyloid Formation Download bibtex for citation iamge Alan B Przybyla, Dale G Ray, Elizabeth B Neuhaus, Haiyan Shao, Hua Li, In-Ja L Byeon, Iwashita Takashi, John M Brewer, Liming Hou, Michael G Zagorski, Michael P Vitek, Nanda K Menon, Ronald A Makula, Yongbo Zhang
17793 2011-08-26 Chemical Shifts: 1 set
Backbone chemical shift assignments for Ab42 with Met35 in its oxidized state Solution NMR Studies of the Ab(1-40) and Ab(1-42) Peptides Establish that the Met35 Oxidation State Affects the Mechanism of Amyloid Formation Download bibtex for citation iamge Alan B Przybyla, Dale G Ray, Elizabeth B Neuhaus, Haiyan Shao, Hua Li, In-Ja L Byeon, Iwashita Takashi, John M Brewer, Liming Hou, Michael G Zagorski, Michael P Vitek, Nanda K Menon, Ronald A Makula, Yongbo Zhang
17794 2011-08-26 Chemical Shifts: 1 set
Backbone chemical shift assignments for Ab42 with Met35 in its reduced state Solution NMR Studies of the Ab(1-40) and Ab(1-42) Peptides Establish that the Met35 Oxidation State Affects the Mechanism of Amyloid Formation Download bibtex for citation iamge Alan B Przybyla, Dale G Ray, Elizabeth B Neuhaus, Haiyan Shao, Hua Li, In-Ja L Byeon, Iwashita Takashi, John M Brewer, Liming Hou, Michael G Zagorski, Michael P Vitek, Nanda K Menon, Ronald A Makula, Yongbo Zhang
17795 2011-08-26 Chemical Shifts: 1 set
Backbone chemical shift assignments for A 40 with Met35 in its oxidised state Solution NMR Studies of the Ab(1-40) and Ab(1-42) Peptides Establish that the Met35 Oxidation State Affects the Mechanism of Amyloid Formation Download bibtex for citation iamge Alan B Przybyla, Dale G Ray, Elizabeth B Neuhaus, Haiyan Shao, Hua Li, In-Ja L Byeon, Iwashita Takashi, John M Brewer, Liming Hou, Michael G Zagorski, Michael P Vitek, Nanda K Menon, Ronald A Makula, Yongbo Zhang
16778 2011-05-26 Chemical Shifts: 1 set
Solution structure of the CBX7 chromodomain in complex with a H3K27me2 peptide Molecular interplay of the noncoding RNA ANRIL and methylated histone H3 lysine 27 by polycomb CBX7 in transcriptional silencing of INK4a Download bibtex for citation iamge Ana M Munoz-Cabello, Jesus Gil, Kyoko L Yap, Lei Zeng, Martin J Walsh, Ming-Ming Zhou, Selina Raguz, Shiraz Mujtaba, Side Li
15829 2009-05-07 Chemical Shifts: 1 set
SOLUTION NMR STRUCTURE OF SAG0934 from Streptococcus agalactiae. NORTHEAST STRUCTURAL GENOMICS TARGET SaR32[1-108]. SOLUTION NMR STRUCTURE OF SAG0934 from Streptococcus agalactiae. NORTHEAST STRUCTURAL GENOMICS TARGET SaR32[1-108]. Download bibtex for citation iamge Burkhard Rost, Erica L Foote, Gaetano T Montelione, G VT Swapna, James M Aramini, John K Everett, Li Zhao, Mei Jiang, Paolo Rossi, Rajesh Nair, Rong Xiao, Seema Sharma, Thomas B Acton
6834 2007-02-05 Chemical Shifts: 1 set
Solution Structure of the hSet2/HYPB SRI domain NMR assignment of the SRI domain of human Set2/HYPB. Download bibtex for citation iamge A L Greenleaf, H P Phatnani, M Li, P Zhou
6748 2007-01-29 Chemical Shifts: 1 set
NMR assignments of the Ki67FHA/hNIFK(226-269)3P complex Sequential phosphorylation and multisite interactions characterize specific target recognition by the FHA domain of Ki67. Download bibtex for citation iamge Angela M Gronenborn, Haiyan Song, Hongyuan Li, In-Ja L Byeon, Ming-Daw Tsai
6508 2005-08-19 Chemical Shifts: 2 sets
complex structure of PCAF bromodomain with small chemical ligand NP1 Selective small molecules blocking HIV-1 Tat and coactivator PCAF association Download bibtex for citation iamge C Pan, J Li, L Zeng, M Muller, M M Zhou, S Mujtaba, S Yan, Z Wang
6507 2005-08-19 Chemical Shifts: 2 sets
Complex structure of PCAF bromodomain with small chemical ligand NP2 Selective small molecules blocking HIV-1 Tat and coactivator PCAF association. Download bibtex for citation iamge C Pan, J Li, L Zeng, M Muller, M M Zhou, S Mujtaba, S Yan, Z Wang
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
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
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
5212 2008-03-24 Chemical Shifts: 2 sets
SAP/SH2D1A bound to peptide n-pY 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
4455 1999-12-22 Chemical Shifts: 1 set
Glycan-free mutant adhesion domain of human CD58 (LFA-3) Functional Glycan-free Adhesion Domain of Human Cell Surface Receptor CD58: Design, Production, and NMR Studies Download bibtex for citation iamge E L Reinherz, G Wagner, J Li, M Kim, V Dotsch, Z Y J Sun
4526 2001-03-08 Chemical Shifts: 1 set
SOLUTION NMR STRUCTURE OF TUMOR SUPPRESSOR P16INK4A, 20 STRUCTURES Tumor suppressor INK4: refinement of p16INK4A structure and determination of p15INK4B structure by comparative modeling and NMR data Download bibtex for citation iamge C Yuan, I JL Byeon, J Li, M D Tsai, T L Selby
bmse500001 2010-03-30 : sets
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