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Entry ID	Original Release date	Data summary	Entry Title	Citation Title	Authors
52169	2023-10-17	Chemical Shifts: 1 set	Clostridioides peptidoglycan fragment dimer	Clostridioides difficile canonical L,D-transpeptidases catalyze a novel type of peptidoglycan cross-links and are not required for beta-lactam resistance	Andrew L Lovering, Caroline A Evans, Darren Greetham, Georgina L Davis, Jane Freeman, Jessica E Buddle, Marcel G Alaman-Zarate, Mark H Wilcox, Mark J Dickman, Mike P Williamson, Nicola F Galley, Robert P Fagan, Stephane Mesnage, William D Spittal
51022	2021-12-13	Chemical Shifts: 1 set	Backbone assignments of truncated form of TagA from Thermoanaerobacter italicus	Insight into the molecular basis of substrate recognition by the wall teichoic acid glycosyltransferase TagA	Andrew K Goring, Brendan J Mahoney, Denise Tran, Duilio Cascio, Joseph A Loo, Martin L Phillips, Michael E Jung, Musleh M Muthana, Orlando E Martinez, Robert T Clubb, Sung-Wook Yi, Xi Chen
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.	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
30474	2018-12-13	Chemical Shifts: 1 set Spectral_peak_list: 2 sets	De Novo Design of a Protein Heterodimer with Specificity Mediated by Hydrogen Bond Networks	Programmable design of orthogonal protein heterodimers.	Aniruddha Sahasrabuddhe, David Baker, David Flores-Solis, Florian Busch, Frank DiMaio, Lauren P Carter, Matthew J Bick, Mengxuan Jia, Nikolaos G Sgourakis, Peilong Lu, Robert A Langan, Scott E Boyken, Sherry Bermeo, T J Brunette, Vicki H Wysocki, Vikram Khipple K Mulligan, Zachary L VanAernum, Zibo Chen
27281	2017-11-14	Chemical Shifts: 1 set	Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N15 beta subunit C domain mutant m23	Pre-TCR ligand binding impacts thymocyte development before TCR expression.	Cheng Zhu, Ellis L Reinherz, Gerhard Wagner, Hang Lu, Haribabu Arthanari, Jia-Huai Wang, Jonathan S Duke-Cohan, Ke Bai, Loice Chingozha, Rebecca E Hussey, Robert J Mallis, Zhenhai Li
27278	2017-11-14	Chemical Shifts: 1 set	Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N15 beta subunit C domain mutant c1	Pre-TCR ligand binding impacts thymocyte development before TCR expression.	Cheng Zhu, Ellis L Reinherz, Gerhard Wagner, Hang Lu, Haribabu Arthanari, Jia-Huai Wang, Jonathan S Duke-Cohan, Ke Bai, Loice Chingozha, Rebecca E Hussey, Robert J Mallis, Zhenhai Li
27279	2017-11-14	Chemical Shifts: 1 set	Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N30 beta subunit C domain mutant c1	Pre-TCR ligand binding impacts thymocyte development before TCR expression.	Cheng Zhu, Ellis L Reinherz, Gerhard Wagner, Hang Lu, Haribabu Arthanari, Jia-Huai Wang, Jonathan S Duke-Cohan, Ke Bai, Loice Chingozha, Rebecca E Hussey, Robert J Mallis, Zhenhai Li
27280	2017-11-14	Chemical Shifts: 1 set	Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N15 beta subunit C domain mutant m22	Pre-TCR ligand binding impacts thymocyte development before TCR expression.	Cheng Zhu, Ellis L Reinherz, Gerhard Wagner, Hang Lu, Haribabu Arthanari, Jia-Huai Wang, Jonathan S Duke-Cohan, Ke Bai, Loice Chingozha, Rebecca E Hussey, Robert J Mallis, Zhenhai Li
27125	2017-08-02	Chemical Shifts: 1 set	FUS low complexity domain with 12 phosphomimetic S/T to E mutations	Phosphorylation of the FUS low-complexity domain disrupts phase separation, aggregation, and toxicity	Abigail M Janke, Alexander E Conicella, Frank Shewmaker, Gregory L Dignon, Gul H Zerze, Jeetain Mittal, Kathleen A Burke, Nicolas L Fawzi, Robert B Best, Robert N Cole, Robert O'Meally, Shannon N Rhoads, Veronica H Ryan, Wenwei Zheng, Zachary Monahan
25928	2016-09-15	Chemical Shifts: 1 set	NMR solution structure of vitamin B12 conjugates of PYY3-36	Solution Structure and Constrained Molecular Dynamics Study of Vitamin B12 Conjugates of the Anorectic Peptide PYY(3-36)	Christian L Roth, Damian G Allis, Deborah J Kerwood, George G Holz, Jayme L Workinger, Jon A Zubieta, Kelly E Henry, Robert P Doyle, Ron L Bonaccorso
26008	2016-06-03	Chemical Shifts: 1 set	Solution Structure of N-L-idosylated Pin1 WW Domain	The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate	Che-Hsiung Hsu, Chi-Huey Wong, David A Case, David E Mortenson, Evan T Powers, Jane H Dyson, Jeffery W Kelly, Lachele B Foley, Robert J Woods, Sangho Park, Xiaocong Wang
19593	2014-02-11	Chemical Shifts: 1 set	Truncated EGF-A	Design and synthesis of truncated EGF-A peptides that restore LDL-R recycling in the presence of PCSK9 in vitro.	Allan Reyes, Barbara Colless, Christina I Schroeder, Daniel J Clayton, David A Price, David J Craik, Ingrid Stock, Jane M Withka, Joakim E Swedberg, Kim F McClure, K Johan Rosengren, Kris A Borzilleri, Mark Ammirati, Matt Griffor, Meihua Tu, Muharrem Akcan, Norelle L Daly, Olivier Cheneval, Philip Sunderland, Phillip Walsh, Robert Dullea, Samit K Bhattacharya, Shenping Liu, Spiros Liras
18250	2012-03-12	Chemical Shifts: 1 set	NMR STRUCTURE of Bcl-XL	NMR Solution Structure of a Photoswitchable Apoptosis Activating Bak Peptide Bound to Bcl-x(L).	Christopher Williams, E Joel Loveridge, Matthew P Crump, Piotr Wysoczanski, Robert J Mart, Rudolf K Allemann, Sara B-M Whittaker
18238	2012-04-16	Chemical Shifts: 1 set	SOLUTION STRUCTURE OF AN APOPTOSIS ACTIVATING PHOTOSWITCHABLE BAK PEPTIDE BOUND to BCL-XL	NMR Solution Structure of a Photoswitchable Apoptosis Activating Bak Peptide Bound to Bcl-x(L).	Christopher Williams, E Joel Loveridge, Matthew P Crump, Piotr Wysoczanski, Robert J Mart, Rudolf K Allemann, Sara B-M Whittaker
17815	2012-04-23	Chemical Shifts: 1 set	Backbone 1H, 13C and 15N resonance assignments for IMP1 KH34	Spatial arrangement of an RNA zipcode identifies mRNAs under post-transcriptional control	Adina R Buxbaum, Jeffery A Chao, Mark E Girvin, Matthew Levy, Michael Brenowitz, Richard Harris, Robert H Singer, Somdeb Mitra, Steven C Almo, Timothee Lionnet, Vivek L Patel
17489	2011-06-07	Chemical Shifts: 1 set Residual Dipolar Couplings: 1 set	1H, 13C, and 15N Chemical Shift Assignments for the FF domain L24A mutant	Nonnative interactions in the FF domain folding pathway from an atomic resolution structure of a sparsely populated intermediate: an NMR relaxation dispersion study.	Alan R Fersht, Alexandar L Hansen, David Baker, Dmitry M Korzhnev, Lewis E Kay, Robert M Vernon, Tomasz L Religa
15486	2008-03-12	Chemical Shifts: 1 set T1 Relaxation Values: 1 set T2 Relaxation Values: 1 set	Complete Chemical Shift Assignments and XPLOR restraints for YmoA	The high-precision solution structure of Yersinia modulating protein YmoA provides insight into interaction with H-NS	Amanda S Altieri, David S Waugh, Joseph E Tropea, R Andrew Byrd, Robert L McFeeters, Scott Cherry
6338	2007-11-09	Chemical Shifts: 1 set	NMR solution structure of At1g77540	Structure of Arabidopsis thaliana At1g77540 Protein, a Minimal Acetyltransferase from the COG2388 Family	Christopher E Berndsen, Craig A Bingman, Eduard Bitto, Gary E Wesenberg, George N Phillips, John L Markley, John M Denu, Min S Lee, Robert C Tyler, Shanteri Singh
6285	2007-03-22	Chemical Shifts: 1 set	15N, 13C, 1H NMR assignment of a 14kDa construct of the focal adhesion protein Talin	A vinculin binding domain from the talin rod unfolds to form a complex with the vinculin head	A R Gingras, B Patel, D R Critchley, E Papagrigoriou, Gordon C Roberts, Ian J Fillingham, Ian L Barsukov, J Emsley
5972	2003-12-19	Chemical Shifts: 1 set	Proton Chemical Shifts for E coli ProP 468-497 peptide	Solution Structure of the C-terminal Antiparallel Coiled-coil Domain of Escherichia Coli Osmosensor ProP	Brian P Tripet, David L Zoetewey, Janet M Wood, Michael J Overduin, Robert S Hodges, Tatiana G Kutateladze
5924	2004-03-02	Chemical Shifts: 1 set	NMR Solution Structure of the Focal Adhesion Targeting Domain (FAT) of Focal Adhesion Kinase (FAK) in Complex with a Paxillin LD Peptide: Evidence for a Two Site Binding Model	NMR solution structure of the focal adhesion targeting domain of focal adhesion kinase in complex with a paxillin LD peptide: evidence for a two site binding model	D M Scheswohl, Eugene F DeRose, Guanghua Gao, Kirk C Prutzman, Michael D Schaller, Michelle L King, Robert E London, Sharon L Campbell
5182	2002-10-17	Chemical Shifts: 1 set	Backbone 1H, 13C, and 15N Chemical Shift Assignments for the Extracellular Ligand-Binding Domain of Ionotropic Glutamate Receptor 2	Letter to the Editor: Semi-automated Backbone Resonance Assignments of the Extracellular Ligand-binding Domain of an Ionotropic Glutamate Receptor	Gaetano T Montelione, GVT Swapna, Robert E Oswald, Robert L McFeeters
4425	1999-12-23	Chemical Shifts: 1 set	Solution structure of apo-biotinyl domain from acetyl coenzyme A carboxylase of Escherichia coli determined by triple-resonance NMR spectroscopy	SOLUTION STRUCTURES OF APO- AND HOLO-BIOTINYL DOMAINS FROM ACETYL COENZYME A CARBOXYLASE OF ESCHERICHIA COLI DETERMINED BY TRIPLE-RESONANCE NMR SPECTROSCOP	A CHAPMAN-SMITH, E L ROBERTS, J C WALLACE, J E CRONAN, M J HOWARD, N SHU, R N PERHAM, R W BROADHURST, T MORRIS
4426	2000-06-12	Chemical Shifts: 1 set	Solution Structure of Holo-biotinyl Domain from Acetyl Coenzyme A Carboxylase of Escherichia coli Determined by Triple-Resonance NMR Spectroscopy	Solution Structure of Apo- and Holo-biotinyl Domain from Acetyl Coenzyme A Carboxylase of Escherichia coli Determined by Triple-Resonance NMR Spectroscopy	A Chapman-smith, E L Roberts, J C Wallace, J E Cronan, M J Howard, N Shu, R N Perham, R W Broadhurst, T Morris
4146	1998-08-14	Chemical Shifts: 1 set	Solution Structure of the Transmembrane H+-Transporting Subunit c of the F1Fo ATP Synthase	Solution Structure of the Transmembrane H+-Transporting Subunit c of the F1Fo ATP Synthase	Frits Abildgaard, John L Markley, Mark E Girvin, Robert H Fillingame, Vinit K Rastogi
4036	1998-07-05	Chemical Shifts: 1 set	Sequential 1H, 13C, and 15N, NMR Assignments and Solution Conformation of Apokedarcidin	Sequential 1H, 13C, and 15N, NMR Assignments and Solution Conformation of Apokedarcidin	Bennet T Farmer, Daniel R Schroeder, David R Langley, Jeffrey Tuttle, John E Leet, Keith L Constantine, Kimberly L Colson, Kin S Lam, Luciano Mueller, Mark S Friedrichs, Michael Wittekind, Nada Zein, Robert E Bruccoleri, William J Metzler
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
560	1995-07-31	Chemical Shifts: 1 set	Soybean Trypsin Inhibitor (Kunitz) and Its Complex with Trypsin. Carbon-13 Nuclear Magnetic Resonance Studies of the Reactive Site Arginine	Soybean Trypsin Inhibitor (Kunitz) and Its Complex with Trypsin. Carbon-13 Nuclear Magnetic Resonance Studies of the Reactive Site Arginine	Darrow E Neves, John L Markley, Mary Welch Baillargeon, Michael A Porubcan, Robert E Santini,
558	1995-07-31	Chemical Shifts: 1 set	Soybean Trypsin Inhibitor (Kunitz) and Its Complex with Trypsin. Carbon-13 Nuclear Magnetic Resonance Studies of the Reactive Site Arginine	Soybean Trypsin Inhibitor (Kunitz) and Its Complex with Trypsin. Carbon-13 Nuclear Magnetic Resonance Studies of the Reactive Site Arginine	Darrow E Neves, John L Markley, Mary Welch Baillargeon, Michael A Porubcan, Robert E Santini,
559	1995-07-31	Chemical Shifts: 1 set	Soybean Trypsin Inhibitor (Kunitz) and Its Complex with Trypsin. Carbon-13 Nuclear Magnetic Resonance Studies of the Reactive Site Arginine	Soybean Trypsin Inhibitor (Kunitz) and Its Complex with Trypsin. Carbon-13 Nuclear Magnetic Resonance Studies of the Reactive Site Arginine	Darrow E Neves, John L Markley, Mary Welch Baillargeon, Michael A Porubcan, Robert E Santini,
561	1995-07-31	Chemical Shifts: 1 set	Soybean Trypsin Inhibitor (Kunitz) and Its Complex with Trypsin. Carbon-13 Nuclear Magnetic Resonance Studies of the Reactive Site Arginine	Soybean Trypsin Inhibitor (Kunitz) and Its Complex with Trypsin. Carbon-13 Nuclear Magnetic Resonance Studies of the Reactive Site Arginine	Darrow E Neves, John L Markley, Mary Welch Baillargeon, Michael A Porubcan, Robert E Santini,
562	1995-07-31	Chemical Shifts: 1 set	Soybean Trypsin Inhibitor (Kunitz) and Its Complex with Trypsin. Carbon-13 Nuclear Magnetic Resonance Studies of the Reactive Site Arginine	Soybean Trypsin Inhibitor (Kunitz) and Its Complex with Trypsin. Carbon-13 Nuclear Magnetic Resonance Studies of the Reactive Site Arginine	Darrow E Neves, John L Markley, Mary Welch Baillargeon, Michael A Porubcan, Robert E Santini,
563	1995-07-31	Chemical Shifts: 1 set	Soybean Trypsin Inhibitor (Kunitz) and Its Complex with Trypsin. Carbon-13 Nuclear Magnetic Resonance Studies of the Reactive Site Arginine	Soybean Trypsin Inhibitor (Kunitz) and Its Complex with Trypsin. Carbon-13 Nuclear Magnetic Resonance Studies of the Reactive Site Arginine	Darrow E Neves, John L Markley, Mary Welch Baillargeon, Michael A Porubcan, Robert E Santini,
2024	1995-07-31	Chemical Shifts: 1 set	Sequential NMR Resonance Assignment and Structure Determination of the Kunitz-Type Inhibitor Domain of the Alzheimer's B-Amyloid Precursor Protein	Sequential NMR Resonance Assignment and Structure Determination of the Kunitz-Type Inhibitor Domain of the Alzheimer's B-Amyloid Precursor Protein	Alice Lee, Axel Unterbeck, Gary Davis, Lisa J Hammond, Michael E Kamarck, Paul P Tamburini, Richard M Bayney, Robert F Tilton, Robert N Dreyer, S L Heald, Triprayar V Ramabhadran