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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
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
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
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
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
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
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
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
50604	2021-02-13	Chemical Shifts: 1 set	Human Histone H2A type-2A in Nucleosome	BRCA1/BARD1 site-specific ubiquitylation of nucleosomal H2A is directed by BARD1	Alex Pravat, Anika L Burrell, Champak Chatterjee, Daniel P Farrell, Frank DiMaio, Jesse M Hansen, Jianming Kang, Justin M Kollman, Lisa M Tuttle, Meiling Wang, Mikaela D Stewart, Peter S Brzovic, Rachel E Klevit, Samuel R Witus, Weixing Zhao
30373	2017-12-06	Chemical Shifts: 1 set Spectral_peak_list: 1 set	Solution NMR structures of BRD4 ET domain with JMJD6 peptide	Targeting the BRD4/FOXO3a/CDK6 axis sensitizes AKT inhibition in luminal breast cancer	Binhua P Zhou, B Mark M Evers, Chi Wang, Fang Tai, Jian Shi, Jingyi Liu, Jiong Deng, Lei Zeng, Ming-Ming M Zhou, Pengnian Charles C Lin, Qiang Zhang, Rachel L Stewart, Saghi Ghaffari, Suling Liu, Weijie Guo, Yadi Wu, Yanling He, Yifan Wang, Yiwei Lin, Yule Chen, Zhibing Duan
19959	2014-05-20	Chemical Shifts: 1 set	Structural basis for binding of Pan3 to Pan2 and its function in mRNA recruitment and deadenylation	Structural basis for binding of Pan3 to Pan2 and its function in mRNA recruitment and deadenylation	B Meineke, C V Robinson, E Valkov, J Wolf, L A Passmore, Mark D Allen, M Bycroft, M Stewart, S H Mclaughlin, T M Olsen, Y Gordiyenko
17718	2012-01-24	H Exchange Rates: 2 sets	Hydrogen Exchange in Unligated and Ligated Straphlococcal Nuclease	Hydrogen exchange in unligated and ligated staphylococcal nuclease	Jinfeng Wang, John L Markley, Kenneth E Prehoda, Stewart N Loh
530	1995-07-31	Chemical Shifts: 1 set	Two-Dimensional NMR Studies of Staphylococcal Nuclease: Evidence for Conformational Heterogeneity from Hydrogen-1, Carbon-13, and Nitrogen-15 Spin System Assignments of the Aromatic Amino Acids in the Nuclease H124L-Thymidine 3',5'-Bisphosp	Two-Dimensional NMR Studies of Staphylococcal Nuclease: Evidence for Conformational Heterogeneity from Hydrogen-1, Carbon-13, and Nitrogen-15 Spin System Assignments of the Aromatic Amino Acids in the Nuclease H124L-Thymidine 3',5'-Bisphosp	Andrew P Hinck, Jinfeng Wang, John L Markley, Stewart N Loh
1485	1999-06-14	Chemical Shifts: 1 set	Histidine 121 of Staphylococcal Nuclease. Correlation of the Hdelta2 1H NMR Assignment and Reinterpretation of the Role This Residue Plays in Conformational Heterogeneity of the Protein	Histidine 121 of Staphylococcal Nuclease. Correlation of the Hdelta2 1H NMR Assignment and Reinterpretation of the Role This Residue Plays in Conformational Heterogeneity of the Protein	Andrew P Hinck, Jinfeng Wang, John L Markley, Stewart N Loh
1704	1995-07-31	Chemical Shifts: 1 set	Two-Dimensional NMR Studies of Staphylococcal Nuclease: Evidence for Conformational Heterogeneity from Hydrogen-1, Carbon-13, and Nitrogen-15 Spin System Assignments of the Aromatic Amino Acids in the Nuclease H124L-Thymidine 3',5'-Bisphosp	Two-Dimensional NMR Studies of Staphylococcal Nuclease: Evidence for Conformational Heterogeneity from Hydrogen-1, Carbon-13, and Nitrogen-15 Spin System Assignments of the Aromatic Amino Acids in the Nuclease H124L-Thymidine 3',5'-Bisphosp	Andrew P Hinck, Jinfeng Wang, John L Markley, Stewart N Loh
1874	1995-07-31	Chemical Shifts: 1 set	Solution Studies of Staphylococcal Nuclease H124L. 2. 1H, 13C, and 15N Chemical Shift Assignments for the Unligated Enzyme and Analysis of Chemical Shift Changes That Accompany Formation of the Nuclease-Thymidine 3',5'-Bisphosphate-Calcium	Solution Studies of Staphylococcal Nuclease H124L. 2. 1H, 13C, and 15N Chemical Shift Assignments for the Unligated Enzyme and Analysis of Chemical Shift Changes That Accompany Formation of the Nuclease-Thymidine 3',5'-Bisphosphate-Calcium	Andrew P Hinck, David M LeMaster, Jinfeng Wang, John L Markley, Stewart N Loh
1875	1995-07-31	Chemical Shifts: 1 set	Solution Studies of Staphylococcal Nuclease H124L. 2. 1H, 13C, and 15N Chemical Shift Assignments for the Unligated Enzyme and Analysis of Chemical Shift Changes That Accompany Formation of the Nuclease-Thymidine 3',5'-Bisphosphate-Calcium	Solution Studies of Staphylococcal Nuclease H124L. 2. 1H, 13C, and 15N Chemical Shift Assignments for the Unligated Enzyme and Analysis of Chemical Shift Changes That Accompany Formation of the Nuclease-Thymidine 3',5'-Bisphosphate-Calcium	Andrew P Hinck, David M LeMaster, Jinfeng Wang, John L Markley, Stewart N Loh
1876	1995-07-31	Chemical Shifts: 1 set	Solution Studies of Staphylococcal Nuclease H124L. 2. 1H, 13C, and 15N Chemical Shift Assignments for the Unligated Enzyme and Analysis of Chemical Shift Changes That Accompany Formation of the Nuclease-Thymidine 3',5'-Bisphosphate-Calcium	Solution Studies of Staphylococcal Nuclease H124L. 2. 1H, 13C, and 15N Chemical Shift Assignments for the Unligated Enzyme and Analysis of Chemical Shift Changes That Accompany Formation of the Nuclease-Thymidine 3',5'-Bisphosphate-Calcium	Andrew P Hinck, David M LeMaster, Jinfeng Wang, John L Markley, Stewart N Loh
1877	1995-07-31	Chemical Shifts: 1 set	Solution Studies of Staphylococcal Nuclease H124L. 2. 1H, 13C, and 15N Chemical Shift Assignments for the Unligated Enzyme and Analysis of Chemical Shift Changes That Accompany Formation of the Nuclease-Thymidine 3',5'-Bisphosphate-Calcium	Solution Studies of Staphylococcal Nuclease H124L. 2. 1H, 13C, and 15N Chemical Shift Assignments for the Unligated Enzyme and Analysis of Chemical Shift Changes That Accompany Formation of the Nuclease-Thymidine 3',5'-Bisphosphate-Calcium	Andrew P Hinck, David M LeMaster, Jinfeng Wang, John L Markley, Stewart N Loh
1878	1995-07-31	Chemical Shifts: 1 set	Solution Studies of Staphylococcal Nuclease H124L. 2. 1H, 13C, and 15N Chemical Shift Assignments for the Unligated Enzyme and Analysis of Chemical Shift Changes That Accompany Formation of the Nuclease-Thymidine 3',5'-Bisphosphate-Calcium	Solution Studies of Staphylococcal Nuclease H124L. 2. 1H, 13C, and 15N Chemical Shift Assignments for the Unligated Enzyme and Analysis of Chemical Shift Changes That Accompany Formation of the Nuclease-Thymidine 3',5'-Bisphosphate-Calcium	Andrew P Hinck, David M LeMaster, Jinfeng Wang, John L Markley, Stewart N Loh
496	1995-07-31	Chemical Shifts: 1 set	Two-Dimensional NMR Studies of Staphylococcal Nuclease. 2. Sequence-Specific Assignments of Carbon-13 and Nitrogen-15 Signals from the Nuclease H124L-Thymidine 3',5'-Bisphosphate-Ca2+ Ternary Complex	Two-Dimensional NMR Studies of Staphylococcal Nuclease. 2. Sequence-Specific Assignments of Carbon-13 and Nitrogen-15 Signals from the Nuclease H124L-Thymidine 3',5'-Bisphosphate-Ca2+ Ternary Complex	Andrew P Hinck, Jinfeng Wang, John L Markley, Stewart N Loh
497	1995-07-31	Chemical Shifts: 1 set	Two-Dimensional NMR Studies of Staphylococcal Nuclease. 2. Sequence-Specific Assignments of Carbon-13 and Nitrogen-15 Signals from the Nuclease H124L-Thymidine 3',5'-Bisphosphate-Ca2+ Ternary Complex	Two-Dimensional NMR Studies of Staphylococcal Nuclease. 2. Sequence-Specific Assignments of Carbon-13 and Nitrogen-15 Signals from the Nuclease H124L-Thymidine 3',5'-Bisphosphate-Ca2+ Ternary Complex	Andrew P Hinck, Jinfeng Wang, John L Markley, Stewart N Loh
1484	1999-06-14	Chemical Shifts: 1 set	Histidine 121 of Staphylococcal Nuclease. Correlation of the Hdelta2 1H NMR Assignment and Reinterpretation of the Role This Residue Plays in Conformational Heterogeneity of the Protein	Histidine 121 of Staphylococcal Nuclease. Correlation of the Hdelta2 1H NMR Assignment and Reinterpretation of the Role This Residue Plays in Conformational Heterogeneity of the Protein	Andrew P Hinck, Jinfeng Wang, John L Markley, Stewart N Loh
302	1995-07-31	Chemical Shifts: 1 set	1H NMR Studies of the Solution Conformation of an Analogue of the C-Peptide of Ribonuclease A	1H NMR Studies of the Solution Conformation of an Analogue of the C-Peptide of Ribonuclease A	Eunice J York, H Jane Dyson, John J Osterhout, John M Stewart, Peter E Wright, Robert L Baldwin