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Entry ID	Data summary	Entry Title	Citation Title	Authors
31113	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	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
31112	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	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	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	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	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	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
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	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
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	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	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	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	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	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	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	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	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
30851	Chemical Shifts: 1 set Spectral_peak_list: 1 set	Aspartimidylated omega ester peptide fuscimiditide	Biosynthesis and characterization of fuscimiditide, an aspartimidylated graspetide	A James J Link, Brian Choi, Hader E Elashal, Heather L White, Joseph D Koos, Li Cao, Michelle A Richardson, Wai Ling L Cheung-Lee
30849	Chemical Shifts: 1 set Spectral_peak_list: 1 set	Omega ester peptide pre-fuscimiditide	Biosynthesis and characterization of fuscimiditide, an aspartimidylated graspetide	A James J Link, Brian Choi, Hader E Elashal, Heather L White, Joseph D Koos, Li Cao, Michelle A Richardson, Wai Ling L Cheung-Lee
30714	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	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	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
36243	Chemical Shifts: 1 set	Mouse receptor-interacting protein kinase 3 (RIP3) amyloid structure by solid-state NMR	The amyloid structure of mouse RIPK3 (receptor interacting protein kinase 3) in cell necroptosis.	Bing Li, Charles D Schwieters, Guo-Xiang X Wu, Hong Hu, Hua-Yi Y Wang, Jian Wang, Jing X Liu, Jing-Yu Y Lin, Jing Zhang, Jun-Xia X Lu, Xia-Lian L Wu, Xing-Qi Q Dong
27079	Chemical Shifts: 2 sets	Backbone Resonance Assignment of the BCL6-BTB/POZ Domain	Backbone resonance assignment of the BCL6-BTB/POZ domain	Frederick W Muskett, John Schwabe, L Fairall, Li-Ying Y Lin, S E Evans, Simon D Wagner
25162	Chemical Shifts: 1 set	Carnolysin A2'	Structure and Biosynthesis of Carnolysin, a Homolog of Enterococcal Cytolysin with D-Amino Acids	Christopher T Lohans, Jessica L Li, John C Vederas
25161	Chemical Shifts: 1 set	Carnolysin A1'	Structure and Biosynthesis of Carnolysin, a Homolog of Enterococcal Cytolysin with D-Amino Acids	Christopher T Lohans, Jessica L Li, John C Vederas
19268	Chemical Shifts: 1 set	SOLUTION NMR STRUCTURE OF THE V209M VARIANT OF THE HUMAN PRION PROTEIN (RESIDUES 90-231)	Thermodynamic Stabilization of the Folded Domain of Prion Protein Inhibits Prion Infection in Vivo	Bishwajit Kundu, Frank D Soennichsen, Ignazio Cali, Jeffrey L Mills, Krystyna Surewicz, Liuting Qing, Mengjie Zheng, Pierluigi Gambetti, Qingzhong Kong, Shenghai Huang, Wieslaw Swietnicki, Witold K Surewicz, Xinyi Li
16744	Chemical Shifts: 1 set	Structure and identification of ADP-ribose recognition motifs of APLF and role in the DNA damage response	Structure and identification of ADP-ribose recognition motifs of APLF and role in the DNA damage response.	Amanda L Fenton, C Anne Koch, Guang-Yao Li, Li Meng, Melissa Cheung, Mitsuhiko Ikura, Richard D McCulloch
16210	Chemical Shifts: 1 set	Solution structure of JARID1A C-terminal PHD finger in complex with H3(1-9)K4me3	Haematopoietic malignancies caused by dysregulation of a chromatin-binding PHD finger	C D Allis, Dinshaw J Patel, Fabio Casadio, Gang G Wang, Haitao Li, Holger L Dormann, Jikui Song, Jun-Li Luo, Zhanxin Wang
16209	Chemical Shifts: 1 set	Solution Structure of JARID1A C-terminal PHD finger	Haematopoietic malignancies caused by dysregulation of a chromatin-binding PHD finger	C D Allis, Dinshaw J Patel, Fabio Casadio, Gang G Wang, Haitao Li, Holger L Dormann, Jikui Song, Jun-Li Luo, Zhanxin Wang
16056	Chemical Shifts: 1 set	STRUCTURAL AND FUNCTIONAL ANALYSIS OF TM XI OF THE NHE1 ISOFORM OF THE NA+/H+ EXCHANGER	Structural and Functional Analysis of TM XI of the NHE1 Isoform of the Na+/H+ Exchanger	Brian D Sykes, Brian L Lee, Larry Fliegel, Xiuju Li, Yongsheng Liu
15273	Chemical Shifts: 1 set	A L-amino acid mutant of a D-amino acid containing conopeptide	Purification and structural characterization of a D-amino acid-containing conopeptide, conomarphin, from Conus marmoreus	Chengwu Chi, Chunguang Wang, Feijuan Huang, Hui Jiang, Li Liu, Qi Wang, Weihong Du, Xiaoxia Shao, Yanfang Wang, Yuhong Han
15069	Chemical Shifts: 1 set	Structure-Activity Analysis of Synthetic Quorum-Sensing Signal Peptides from Streptococcus mutans	Structure-Activity Analysis of Quorum-Sensing Signaling Peptides from Streptococcus mutans	A Salman, D L Jakeman, K Sampara, R T Syvitski, S F Lee, X Tian, Y Li
6605	Chemical Shifts: 1 set	E. Coli Ada in a complex with DNA	A Methylation-Dependent Electrostatic Switch Controls DNA Repair and Transcriptional Activation by E. coli Ada	Chuan He, Derek PG Norman, Gerhard Wagner, Gregory L Verdine, Hua Wei, Jean-Christophe Hus, John D Gross, Li Jing Sun, Pei Zhou, Volker Dotsch, William S Lane
6446	Chemical Shifts: 1 set	Structural and Functional Characterization of Transmembrane Segment IV of the NHE1 Isoform of the Na+/H+ Exchanger	The Na+/H+ Exchanger isoform 1	B D Sykes, D A Lindhout, E R Slepkov, F J Cheng, J K Rainey, L Fliegel, X Li, Y Liu
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	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	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	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
5675	Chemical Shifts: 1 set	THREE DIMENSIONAL SOLUTION STRUCTURE OF HAINANTOXIN-I BY 2D 1H-NMR	Three-Dimensional Solution Structure of HAINANTOXIN-I by 2D 1H-NMR	D L Li, S P Liang
5212	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	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
5211	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
4526	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	C Yuan, I JL Byeon, J Li, M D Tsai, T L Selby
4263	Chemical Shifts: 2 sets	dNumb PTB Domain Complexed with a Phosphotyrosine Peptide, NMR, Ensemble of Structures.	Structure of a Numb PTB Domain-peptide Complex: A Basis for Diverse Binding Specificity	C J Mcglade, C Zwahlen, J D Forman-Kay, L E Kay, S C Li, S JF Vincent, T Pawson
bmse500001	: sets	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