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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	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
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
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
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
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
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
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
50165	Chemical Shifts: 1 set	hyen C	Discovery and mechanistic studies of cytotoxic cyclotides from the medicinal herb Hybanthus enneaspermus	Anjaneya S Ravipati, David J Craik, Edward K Gilding, Lai Y Chan, Nicholas D Condon, Qingdan Du, Quentin Kaas, Sonia Troeira T Henriques, Yen-Hua H Huang
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
30574	Chemical Shifts: 1 set	NMR ensemble of computationally designed protein XAA	Computational design of closely related proteins that adopt two well-defined but structurally divergent folds	A C McShan, D A Fletcher, D Baker, D Moschidi, K Y Wei, L P Carter, M J Bick, N G Sgourakis, P S Huang, S E Boyken, S Nerli
30573	Chemical Shifts: 1 set	NMR ensemble of computationally designed protein XAA_GVDQ mutant M4L	Computational design of closely related proteins that adopt two well-defined but structurally divergent folds	A C McShan, D A Fletcher, D Baker, D Moschidi, K Y Wei, L P Carter, M J Bick, N G Sgourakis, P S Huang, S E Boyken, S Nerli
30517	Chemical Shifts: 1 set	Solution NMR structure of the KCNQ1 voltage-sensing domain	Structure and physiological function of the human KCNQ1 channel voltage sensor intermediate state	A L George, C R Sanders, D Peng, G Kuenze, H Huang, J A Smith, J Cui, J Meiler, J Shi, K C Taylor, K M White, N Yang, P Hou, P W Kang, R L McFeeters
36143	Chemical Shifts: 1 set	zinc finger domain of METTL3-METTL14 N6-methyladenosine methyltransferase	Solution structure of the RNA recognition domain of METTL3-METTL14 N6-methyladenosine methyltransferase	C Tang, D Zhang, J Huang, L Y Qin, P Yin, S Yang, T Zou, X Dong, X Wang, Y L Zhu, Z Gong
30145	Chemical Shifts: 1 set	NMR Solution Structure of Designed Peptide NC_cHHH_D1	Accurate de novo design of hyperstable constrained peptides.	A Eletsky, A Watkins, C D Bahl, C E Correnti, D Baker, D J Craik, E Coutsias, G Bhardwaj, G J Rocklin, G W Buchko, J M Gilmore, J M Olson, L P Carter, O Cheneval, P J Greisen, P J Harvey, P S Huang, Q Kaas, R Bonneau, S A Rettie, S V Pulavarti, T Szyperski, T W Linsky, V K Mulligan, W A Johnsen, X Xu, Y Song
30144	Chemical Shifts: 1 set	NMR Solution Structure of Designed Peptide NC_cHh_DL_D1	Accurate de novo design of hyperstable constrained peptides.	A Eletsky, A Watkins, C D Bahl, C E Correnti, D Baker, D J Craik, E Coutsias, G Bhardwaj, G J Rocklin, G W Buchko, J M Gilmore, J M Olson, L P Carter, O Cheneval, P J Greisen, P J Harvey, P S Huang, Q Kaas, R Bonneau, S A Rettie, S V Pulavarti, T Szyperski, T W Linsky, V K Mulligan, W A Johnsen, X Xu, Y Song
30143	Chemical Shifts: 1 set	NMR Solution Structure of Designed Peptide NC_cHH_D1	Accurate de novo design of hyperstable constrained peptides.	A Eletsky, A Watkins, C D Bahl, C E Correnti, D Baker, D J Craik, E Coutsias, G Bhardwaj, G J Rocklin, G W Buchko, J M Gilmore, J M Olson, L P Carter, O Cheneval, P J Greisen, P J Harvey, P S Huang, Q Kaas, R Bonneau, S A Rettie, S V Pulavarti, T Szyperski, T W Linsky, V K Mulligan, W A Johnsen, X Xu, Y Song
30142	Chemical Shifts: 1 set	NMR Solution Structure of Designed Peptide NC_EEH_D1	Accurate de novo design of hyperstable constrained peptides.	A Eletsky, A Watkins, C D Bahl, C E Correnti, D Baker, D J Craik, E Coutsias, G Bhardwaj, G J Rocklin, G W Buchko, J M Gilmore, J M Olson, L P Carter, O Cheneval, P J Greisen, P J Harvey, P S Huang, Q Kaas, R Bonneau, S A Rettie, S V Pulavarti, T Szyperski, T W Linsky, V K Mulligan, W A Johnsen, X Xu, Y Song
30146	Chemical Shifts: 1 set	NMR Solution Structure of Designed Peptide NC_cEE_D1	Accurate de novo design of hyperstable constrained peptides.	A Eletsky, A Watkins, C D Bahl, C E Correnti, D Baker, D J Craik, E Coutsias, G Bhardwaj, G J Rocklin, G W Buchko, J M Gilmore, J M Olson, L P Carter, O Cheneval, P J Greisen, P J Harvey, P S Huang, Q Kaas, R Bonneau, S A Rettie, S V Pulavarti, T Szyperski, T W Linsky, V K Mulligan, W A Johnsen, X Xu, Y Song
30140	Chemical Shifts: 1 set	NMR Solution Structure of Designed Peptide NC_EHE_D1	Accurate de novo design of hyperstable constrained peptides.	A Eletsky, A Watkins, C D Bahl, C E Correnti, D Baker, D J Craik, E Coutsias, G Bhardwaj, G J Rocklin, G W Buchko, J M Gilmore, J M Olson, L P Carter, O Cheneval, P J Greisen, P J Harvey, P S Huang, Q Kaas, R Bonneau, S A Rettie, S V Pulavarti, T Szyperski, T W Linsky, V K Mulligan, W A Johnsen, X Xu, Y Song
30141	Chemical Shifts: 1 set	NMR Solution Structure of Designed Peptide NC_EEH_D2	Accurate de novo design of hyperstable constrained peptides.	A Eletsky, A Watkins, C D Bahl, C E Correnti, D Baker, D J Craik, E Coutsias, G Bhardwaj, G J Rocklin, G W Buchko, J M Gilmore, J M Olson, L P Carter, O Cheneval, P J Greisen, P J Harvey, P S Huang, Q Kaas, R Bonneau, S A Rettie, S V Pulavarti, T Szyperski, T W Linsky, V K Mulligan, W A Johnsen, X Xu, Y Song
30138	Chemical Shifts: 1 set	NMR Solution Structure of Designed Peptide NC_HEE_D1	Accurate de novo design of hyperstable constrained peptides.	A Eletsky, A Watkins, C D Bahl, C E Correnti, D Baker, D J Craik, E Coutsias, G Bhardwaj, G J Rocklin, G W Buchko, J M Gilmore, J M Olson, L P Carter, O Cheneval, P J Greisen, P J Harvey, P S Huang, Q Kaas, R Bonneau, S A Rettie, S V Pulavarti, T Szyperski, T W Linsky, V K Mulligan, W A Johnsen, X Xu, Y Song
30083	Chemical Shifts: 8 sets	The structure of chaperone SecB in complex with unstructured proPhoA binding site d	Structural basis for the antifolding activity of a molecular chaperone	C G Kalodimos, C Huang, P Rossi, T Saio
30085	Chemical Shifts: 6 sets	The structure of chaperone SecB in complex with unstructured MBP binding site d	Structural basis for the antifolding activity of a molecular chaperone	C G Kalodimos, C Huang, P Rossi, T Saio
26046	Chemical Shifts: 1 set Spectral_peak_list: 2 sets	Solution structure of the de novo mini protein EEH_04	Accurate de novo design of hyperstable constrained peptides.	A Eletsky, A Watkins, C D Bahl, C E Correnti, D Baker, D J Craik, E Coutsias, G Bhardwaj, G J Rocklin, G W Buchko, J M Gilmore, J M Olson, L P Carter, O Cheneval, P J Greisen, P J Harvey, P S Huang, Q Kaas, R Bonneau, S A Rettie, S V Pulavarti, T Szyperski, T W Linsky, V K Mulligan, W A Johnsen, X Xu, Y Song
26045	Chemical Shifts: 1 set Spectral_peak_list: 2 sets	Solution structure of the de novo mini protein HHH_06	Accurate de novo design of hyperstable constrained peptides.	A Eletsky, A Watkins, C D Bahl, C E Correnti, D Baker, D J Craik, E Coutsias, G Bhardwaj, G J Rocklin, G W Buchko, J M Gilmore, J M Olson, L P Carter, O Cheneval, P J Greisen, P J Harvey, P S Huang, Q Kaas, R Bonneau, S A Rettie, S V Pulavarti, T Szyperski, T W Linsky, V K Mulligan, W A Johnsen, X Xu, Y Song
30067	Chemical Shifts: 1 set Spectral_peak_list: 2 sets	Solution structure of the de novo miniprotein EHE_06	Accurate de novo design of hyperstable constrained peptides.	A Eletsky, A Watkins, C D Bahl, C E Correnti, D Baker, D J Craik, E Coutsias, G Bhardwaj, G J Rocklin, G W Buchko, J M Gilmore, J M Olson, L P Carter, O Cheneval, P J Greisen, P J Harvey, P S Huang, Q Kaas, R Bonneau, S A Rettie, S V Pulavarti, T Szyperski, T W Linsky, V K Mulligan, W A Johnsen, X Xu, Y Song
30069	Chemical Shifts: 1 set Spectral_peak_list: 2 sets	Solution structure of the de novo miniprotein EEHE_02	Accurate de novo design of hyperstable constrained peptides.	A Eletsky, A Watkins, C D Bahl, C E Correnti, D Baker, D J Craik, E Coutsias, G Bhardwaj, G J Rocklin, G W Buchko, J M Gilmore, J M Olson, L P Carter, O Cheneval, P J Greisen, P J Harvey, P S Huang, Q Kaas, R Bonneau, S A Rettie, S V Pulavarti, T Szyperski, T W Linsky, V K Mulligan, W A Johnsen, X Xu, Y Song
19506	Chemical Shifts: 1 set	Human eukaryotic release factor eRF1	Backbone (1)H, (13)C and (15)N resonance assignments of the human eukaryotic release factor eRF1.	Boris D Eliseev, Chi-Fon Chang, Ludmila Yu Frolova, Tai-Huang Huang, Vladimir I Polshakov
15363	Chemical Shifts: 1 set	A D-amino acid containing conopeptide, marmophine, from Conus marmoreus	Purification and structural characterization of a D-amino acid-containing conopeptide, conomarphin, from Conus marmoreus	C G Wang, C W Chi, F J Huang, H Jiang, L Liu, Q Wang, W H Du, X Shao, Y H Han, Y Wang
7397	Chemical Shifts: 1 set	Purification and structural characterization of a D-amino acid containing conopeptide, marmophine, from Conus marmoreus	Purification and structural characterization of a D-amino acid-containing conopeptide, conomarphin, from Conus marmoreus	C Chi, C Wang, F J Huang, H Jiang, L Liu, Q Wang, W Du, X G Shao, Y H Han, Y H Wang
5795	Chemical Shifts: 3 sets	The Solution Structure of a Novel Type of Antifungal Peptide Distinct With a Five-disulfide Motif from Eucommia ulmoides Oliv	Solution structure of Eucommia antifungal peptide: a novel structural model distinct with a five-disulfide motif.	D C Wang, G Z Tu, Ren-Huai Huang, Y Xiang, Y Zhang
4618	Chemical Shifts: 1 set	The Solution Structure of [d(CGC)r(aaa)d(TTTGCG)]2: Hybrid Junctions Flanked by DNA Duplexes	Hydration of [d(CGC)r(aaa)d(TTTGCG)]2	J -W Cheng, M -T Chou, S -H Chou, S T Hsu, W -C Huang
4317	Chemical Shifts: 1 set	1H, 13C, and 15N Chemical Shift Assignments for NS1(1-73)	A novel RNA-binding motif in influenza A virus non-structural protein 1	C B Rios, Chen-ya Chien, D E Zimmerman, Gaetano T Montelione, R M Krug, R Tejero, Y Huang