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Entry ID	Original Release date	Data summary	Entry Title	Citation Title(s)	Authors
31177	2024-08-02	Chemical Shifts: 2 sets	Covalent Complex Between Parkin Catalytic (Rcat) Domain and Ubiquitin	Capturing the catalytic intermediates of parkin ubiquitination	A C Rintala-Dempsey, E A Freeman, E M Connelly, G S Shaw, G Zhu, H Walden, J D Aguirre, J Koszela, M Gundogdu, O Kamarainen, R Tadayon
52395	2024-04-23	Chemical Shifts: 1 set	Complete 1H, 13C, and 15N Chemical Shift Assignments for Lcl collagen-like repeat (CLR) peptide	The Legionella collagen-like protein employs a distinct binding mechanism for the recognition of host glycosaminoglycans	Alain Oregioni, Anna Katarina K Antonovic, Arianna Fornili, Carlton O Adams, Christian D Lorenz, Geoff Kelly, Giulia Mastroianni, Huaixin Zheng, Ian E McIntire, James A Garnett, Katherine Richardson, Leanne Cleaver, Maria Baczynska, Nicholas P Cianciotto, Rosie Shaw, Saima Rehman, Sara B-M B Whittaker, Theo Portlock
52394	2024-04-23	Chemical Shifts: 1 set	1H, 13C, and 15N Amide Backbone Chemical Shift Assignments for Lcl-CTD	The Legionella collagen-like protein employs a distinct binding mechanism for the recognition of host glycosaminoglycans	Alain Oregioni, Anna Katarina K Antonovic, Arianna Fornili, Carlton O Adams, Christian D Lorenz, Geoff Kelly, Giulia Mastroianni, Huaixin Zheng, Ian E McIntire, James A Garnett, Katherine Richardson, Leanne Cleaver, Maria Baczynska, Nicholas P Cianciotto, Rosie Shaw, Saima Rehman, Sara B-M B Whittaker, Theo Portlock
50888	2021-08-16	Chemical Shifts: 1 set	1H 15N 13C chemical shift assignment of the construct of human ataxin-3 including residues 182-291	Ubiquitin Interacting Motifs: duality between structured and disordered motifs	Birthe B Kragelund, Burcu A Fas, Elena Papaleo, Emiliano Maiani, Gaetano Invernizzi, Gary Shaw, Kaare Teilum, Kresten Lindorff-Larsen, Matteo Lambrughi
30814	2021-01-29	Chemical Shifts: 1 set	Solution Structure of the Dysferlin C2A Domain in its Calcium-bound State	Calcium binds and rigidifies the dysferlin C2A domain in a tightly coupled manner	C J Forristal, G S Shaw, L Santamaria, P Mercier, R Tadayon, Y Wang
30798	2021-01-29	Chemical Shifts: 1 set	Solution Structure of the Dysferlin C2A Domain in its Calcium-free State	Calcium binds and rigidifies the dysferlin C2A domain in a tightly coupled manner	C J Forristal, G S Shaw, L Santamaria, P Mercier, R Tadayon, Y Wang
34480	2020-07-20	Chemical Shifts: 1 set	Solution structure of Legionella pneumophila NttA	Structure, Dynamics and Cellular Insight Into Novel Substrates of the Legionella pneumophila Type II Secretion System	Alessandro Pandini, Ian E McIntire, James A Garnett, Jessica Y Tyson, Katherine Richardson, Lee Sewell, Nicholas P Cianciotto, Richard C White, Rosie Shaw, Saima Rehman, Sarath C Dantu, Theo J Portlock
30660	2019-10-04	Chemical Shifts: 1 set Spectral_peak_list: 3 sets	Solution NMR structure of the nodule-specific cysteine-rich peptide NCR044 from Medicago truncatula	Antifungal symbiotic peptide NCR044 exhibits unique structure and multifaceted mechanisms of action that confer plant protection	Dilip M Shah, Garry W Buchko, Hui Li, Jared B Shaw, Kirk J Czymmek, Siva Velivelli
27664	2018-11-02	Chemical Shifts: 2 sets	UbcH7-Ub isopeptide conjugate	Synergistic Recruitment of UbcH7~Ub and Phosphorylated Ubl Domain Triggers Parkin Activation	Gary S Shaw, Tara EC Condos
27564	2018-09-04	Chemical Shifts: 1 set	1H, 13C, 15N NMR Backbone assignments of B. cereus 5/B/6 metallo-beta-lactamase	A DNA aptamer reveals an allosteric site for inhibition in metallo-beta-lactamases	Anthony A Bui, Benjamin J Wylie, Michael P Latham, Nazmul H Khan, Robert W Shaw, Roger B Sutton, Yang Xiao
27420	2018-04-11	Chemical Shifts: 1 set	Chemical shifts for the de novo mini protein gHH_44 in the reduced state.	Cytosolic expression, solution structures, and molecular dynamics simulation of genetically encodable disulfide-rich de novo designed peptides	Christopher D Bahl, David Baker, Elizabeth A Shaw, Garry W Buchko, Martin Karplus, Peter J Myler, Stephen A Rettie, Surya Pulavarti, Thomas Szyperski, Victor Ovchinnikov
27415	2018-04-11	Chemical Shifts: 1 set	Chemical shift assignments for TRAP, a MMP20 proteolysis product of murine amelogenin.	Identification of major matrix metalloproteinase-20 proteolytic processing products of murine amelogenin and tyrosine-rich amelogenin peptide using a nuclear magnetic resonance spectroscopy based method	Barbara J Tarasevich, Garry W Buchko, Jinhui Tao, Rajith Jayasinha Arachchige, Wendy J Shaw
27269	2018-09-04	Chemical Shifts: 1 set	Backbone 1H, 13C, and 15N Chemical Shift Assignments for gHEEE_02 in presence of 10 mM TCEP	Cytosolic expression, solution structures, and molecular dynamics simulation of genetically encodable disulfide-rich de novo designed peptides	Christopher D Bahl, David Baker, Elizabeth A Shaw, Garry W Buchko, Martin Karplus, Peter J Myler, Stephen A Rettie, Surya Pulavarti, Thomas Szyperski, Victor Ovchinnikov
30312	2018-07-03	Chemical Shifts: 1 set Spectral_peak_list: 3 sets	Solution structure of the de novo mini protein gHEEE_02	Cytosolic expression, solution structures, and molecular dynamics simulation of genetically encodable disulfide-rich de novo designed peptides	Christopher D Bahl, David Baker, Elizabeth A Shaw, Garry W Buchko, Martin Karplus, Peter J Myler, Stephen A Rettie, Surya Pulavarti, Thomas Szyperski, Victor Ovchinnikov
30197	2016-12-15	Chemical Shifts: 1 set	Solution structure of Serine 65 phosphorylated UBL domain from parkin	Structure of phosphorylated parkin UBL domain and insights into PINK1-orchestrated activation	G S Shaw, J D Aguirre, K M Dunkerley, P Mercier
25707	2015-08-14	Chemical Shifts: 1 set	Methyl resonances of ubiquitin in complex with R0RBR domain (141-465) of parkin	Disruption of the autoinhibited state primes the E3 ligase parkin for activation and catalysis	Atul Kumar, Axel Knebel, Donald E Spratt, Gary S Shaw, Helen Walden, Jacob D Aguirre, Kathryn R Barber, Pascal Mercier, Rachel Toth, Ramasubramanian Sundaramoorthy, R Julio Martinez-Torres, Tara EC Condos, Viduth K Chaugule
25709	2015-08-14	Chemical Shifts: 1 set	Methyl resonances of ubiquitin S65E in complex with R0RBR domain (141-465) of parkin	Disruption of the autoinhibited state primes the E3 ligase parkin for activation and catalysis	Atul Kumar, Axel Knebel, Donald E Spratt, Gary S Shaw, Helen Walden, Jacob D Aguirre, Kathryn R Barber, Pascal Mercier, Rachel Toth, Ramasubramanian Sundaramoorthy, R Julio Martinez-Torres, Tara EC Condos, Viduth K Chaugule
25708	2015-08-14	Chemical Shifts: 2 sets	Methyl and backbone amide resonances of ubiquitin S65E	Disruption of the autoinhibited state primes the E3 ligase parkin for activation and catalysis	Atul Kumar, Axel Knebel, Donald E Spratt, Gary S Shaw, Helen Walden, Jacob D Aguirre, Kathryn R Barber, Pascal Mercier, Rachel Toth, Ramasubramanian Sundaramoorthy, R Julio Martinez-Torres, Tara EC Condos, Viduth K Chaugule
26605	2018-12-05	Chemical Shifts: 1 set	Methyl resonances of Ubiquitin-like domain (1-76) of parkin in complex with R0RBR domain (141-465) of parkin.	Disruption of the autoinhibited state primes the E3 ligase parkin for activation and catalysis	Atul Kumar, Axel Knebel, Donald E Spratt, Gary S Shaw, Helen Walden, Jacob D Aguirre, Kathryn R Barber, Pascal Mercier, Rachel Toth, Ramasubramanian Sundaramoorthy, R Julio Martinez-Torres, Tara EC Condos, Viduth K Chaugule
19801	2015-01-05	Chemical Shifts: 1 set	solution structure of a protein C-terminal domain	Mechanism of the Rpn13-induced activation of Uch37	Fengfeng Niu, Gaojie Song, Hongtao Zhu, Lianying Jiao, Li-Wei Hung, Neil Shaw, Ping Zhu, Ruxiang Xu, Songying Ouyang, V Eleonora Shtykova, Weicheng Qiu, Xiaobing Zuo, Yingang Feng, Yu-Hui Dong, Zhi-Jie Liu
19315	2013-11-11	Chemical Shifts: 1 set	Solution Structure of the Catalytic Domain of HHARI	Structure of the HHARI catalytic domain shows glimpses of a HECT E3 ligase	Donald E Spratt, Pascal Mercier, Shaw S Gary
19086	2014-09-19	Chemical Shifts: 1 set	Solution structure of human ribosomal protein P1.P2 heterodimer	Solution structure of human P1.P2 heterodimer provides insights into the role of eukaryotic stalk in recruiting the ribosome-inactivating protein trichosanthin to the ribosome.	Conny Wing-Heng W Yu, Kam-Bo B Wong, Ka-Ming M Lee, Kazuyuki Yusa, Kosuke Ito, Lai-On O Chu, Moe Oono, Pang-Chui C Shaw, Tomohiro Miyoshi, Toshio Uchiumi
18990	2012-01-24	Chemical Shifts: 1 set	protein structure	A molecular explanation for the recessive nature of parkin-linked Parkinson's disease	Andrew Purkiss, Donald E Spratt, Gary S Shaw, Helen Walden, Jacob D Aguirre, Kathryn R Barber, Lynn Burchell, Noah Manczyk, Pascal Mercier, R Julio Martinez-Torres, Yeong J Noh
18888	2013-02-14	Chemical Shifts: 1 set	EGFR transmembrane - juxtamembrane (TM-JM) segment in bicelles: MD guided NMR refined structure.	1: Architecture and Membrane Interactions of the EGF Receptor 2: Conformational Coupling across the Plasma Membrane in Activation of the EGF Receptor	Adam Smith, Anton Arkhipov, David E Shaw, David E Wemmer, Erika Kovacs, Jay T Groves, Jeffrey G Pelton, John Kuriyan, Michael P Eastwood, Nicolas Endres, Nicolas F Endres, Rahul Das, Yibing Shan, Yongjian Huang
18642	2013-06-10	Chemical Shifts: 1 set	Protein structure	A molecular explanation for the recessive nature of parkin-linked Parkinson's disease.	Andrew Purkiss, Donald E Spratt, Gary S Shaw, Helen Walden, Jacob D Aguirre, Kathryn R Barber, Lynn Burchell, Noah Manczyk, Pascal Mercier, R Julio Martinez-Torres, Yeong J Noh
17828	2012-04-30	Chemical Shifts: 1 set	Ubiquitin-like domain from HOIL-1	Solution structure of the E3 ligase HOIL-1 Ubl domain.	Gary S Shaw, Kathryn R Barber, Steven A Beasley, Susan S Safadi
17824	2012-03-26	Chemical Shifts: 1 set	Rbx1	Selective recruitment of an E2~ubiquitin complex by an E3 ubiquitin ligase.	Donald E Spratt, Gary S Shaw, Jordan Kovacev, Kenneth Wu, Zhen-Qiang Pan
17557	2011-12-14	Chemical Shifts: 1 set	Solution structure of the dimerization domain of human ribosomal protein P1/P2 heterodimer	Solution structure of the dimerization domain of the eukaryotic stalk P1/P2 complex reveals the structural organization of eukaryotic stalk complex.	Conny Wing-Heng Yu, Kam-Bo Wong, Ka-Ming Lee, Kong-Hung Sze, Pang-Chui Shaw, Teddy Yu-Hin Chiu
17535	2011-05-12	Chemical Shifts: 1 set	DNA / RNA Hybrid containing a central stereo specific Rp borano phosphate linkage	Structural Basis of the RNase H1 Activity on Stereo Regular Borano Phosphonate DNA/RNA Hybrids.	Alexander M Spring, Barbara R Shaw, Christopher N Johnson, Dimitri Sergueev, Markus W Germann
16321	2009-10-14	Chemical Shifts: 1 set	Backbone 1H, 13C and 15N resonance assignments for the E2 conjugating enzyme, UbcH8	The structure of the UbcH8-ubiquitin complex shows a unique ubiquitin interaction site	Gary S Shaw, Stephanie A Serniwka
15997	2010-05-06	Chemical Shifts: 2 sets	NMR STRUCTURE OF DIMERIZATION DOMAIN OF HUMAN RIBOSOMAL PROTEIN P2	Solution structure of the dimerization domain of ribosomal protein P2 provides insights for the structural organization of eukaryotic stalk.	Conny Wing-Heng Yu, Denise So-Bik Chan, Guang Zhu, Kam-Bo Wong, Ka-Ming Lee, Kong-Hung Sze, Pang-Chui Shaw, Teddy Yu-Hin Chiu
15746	2009-11-11	Chemical Shifts: 1 set	Bpp3783_115-220	Solution structure of a domain of a type three secretion system secretory protein BPP 3783 from Bordetella pertusis	Alexei Savichenko, Cheryl H Arrowsmith, Gary S Shaw, Matthew J Revington
15662	2008-02-22	Chemical Shifts: 1 set	1H, 13C, and 15N resonance assignments of murine amelogenin, an essential enamel biomineralization protein.	1H, 13C, and 15N resonance assignments of murine amelogenin, an essential enamel biomineralization protein	Garry W Buchko, Jacky Bekhazi, John R Cort, Malcolm L Snead, Nancy B Valentine, Wendy J Shaw
15498	2008-01-17	Chemical Shifts: 1 set	Backbone and side-chain 1H, 13C and 15N resonance assignments for the E2 conjugating enzyme, UbcH7	1H, 13C and 15N resonance assignments for the human E2 conjugating enzyme, UbcH7	Gary S Shaw, Stephanie A Serniwka
15369	2007-10-16	Chemical Shifts: 1 set	Maize Ribosome-Inactivating protein (MOD)	(1)H, (13)C and (15)N backbone and side chain resonance assignments of a 28 kDa active mutant of maize ribosome-inactivating protein (MOD)	Amanda Nga-Sze Mak, Kong Hung Sze, Pang-Chui Shaw, Yinhua Yang
15159	2007-10-24	Chemical Shifts: 1 set Spectral_peak_list: 2 sets	Mouse Itch 3rd domain phosphorilated in T30	NMR structural studies of the ItchWW3 domain reveal that phosphorylation at T30 inhibits the interaction with PPxY-containing ligands.	Alison Z Shaw, Antonio Celada, Begonya Morales, Consol Farrera, Ester Sanchez-Tillo, Francesc Yraola, Maria J Macias, Miriam Royo, Pau Martin-Malpartida, Ximena Ramirez-Espain
15153	2007-10-24	Chemical Shifts: 2 sets Spectral_peak_list: 2 sets	Mouse Itch 3rd WW domain complex with the Epstein-Barr virus latent membrane protein 2A derived peptide EEPPPPYED	NMR structural studies of the ItchWW3 domain reveal that phosphorylation at T30 inhibits the interaction with PPxY-containing ligands.	Alison Z Shaw, Antonio Celada, Begonya Morales, Consol Farrera, Ester Sanchez-Till, Francesc Yraola, Maria J Macias, Miriam Royo, Pau Martin-Malpartida, Ximena Ramirez-Espain
15074	2007-05-09	Chemical Shifts: 1 set	Assignment of the 1H, 15N and 13C resonances and determination of the 3D- structure of In-Between-RING (IBR) domain of Parkin	Structure of the Parkin in-between-ring domain provides insights for E3-ligase dysfunction in autosomal recessive Parkinson's disease.	Gary S Shaw, Steven A Beasley, Ventzislava A Hristova
6955	2006-11-06	Chemical Shifts: 1 set	Solution Structure of the gene product of E. coli gene ydhA	The solution structure of the protein ydhA from Escherichia coli	A Semesi, A Yee, C H Arrowsmith, G S Shaw, M J Revington
6868	2006-04-17	Chemical Shifts: 1 set	Solution Structure of ydhR protein from Escherichia coli	Solution structure of the Escherichia coli protein ydhR: a putative mono-oxygenase	A Semesi, A Yee, G S Shaw, M Revington
6459	2005-09-22	Chemical Shifts: 2 sets	Chemical Shift Assignment for Itch E3 WW3 domain	Phosphorylation of either Ser16 or Thr30 does not disrupt the structure of the Itch E3 ubiquitin ligase third WW domain	Alison Z Shaw, Begonya Morales, Francesc Yraola, Maria J Macias, Miriam Royo, Pau Martin-Malpartida
6202	2004-12-16	Chemical Shifts: 1 set	Assignment of the 1H, 15N and 13C resonances of the Class II E2 Conjugating Enzyme, Ubc1	Letter to the Editor: Assignment of the 1H, 13C, and 15N resonances of the class II E2 conjugating enzyme, Ubc1	Gary S Shaw, Nadine Merkley
6191	2004-09-07	Chemical Shifts: 1 set	Structure of the C-Terminal Domain of the SecA ATPase	Solution NMR structure and X-ray absorption analysis of the C-terminal zinc-binding domain of the SecA ATPase	B H Shilton, B R Dempsey, F Jalilehvand, G B Gloor, G Lajoie, G S Shaw, J M Moulin, M Wrona
5874	2003-12-05	Chemical Shifts: 1 set	Complete backbone resonance assignments of p47: the 41kDa adaptor protein of the AAA ATPase p97	Complete backbone resonance assignments of p47: the 41kDa adaptor protein of the AAA ATPase p97	Anthony Shaw, Ciaran Mckeown, Hisao Kondo, Ingrid Dreveny, Paul S Freemont, Pete Simpson, Stephen J Matthews, Xiaodong Zhang, Xuemei Yuan
5492	2003-02-20	Chemical Shifts: 1 set	1H and 15N Chemical Shift Assignments for the charge reverse variant of Ribonuclease Sa "5K" (D1K, D17K, D25K, E41K, E74K)	Charge-Charge Interactions are Key Determinants of the pK Values of Ionizable Groups in Ribonuclease Sa (pI=3.5) and a Basic Variant (pI=10.2)	Beatrice MP Huyghues-Despointes, C N Pace, David Schell, Douglas V Laurents, Gerald R Grimsley, James M Briggs, Jan M Antosiewicz, J M Scholtz, Kevin L Shaw, Manuel Rico, Marta Bruix, Richard L Thurlkill, Saul Trevino, Stephanie Newsom
5377	Unknown	Chemical Shifts: 2 sets	Assignments of 1H, 13C and 15N resonances of human Ca2+-S100B in complex with the TRTK-12 peptide	Letter to the Editor: Assignments of 1H, 13C and 15N resonances of human Ca2+-S100B in complex with the TRTK-12 peptide	Gary S Shaw, Kimberly A McClintock
5206	2002-05-24	Chemical Shifts: 1 set	Backbone and sidechain 1H, 13C, and 15N Chemical Shift Assignments for Human S100B in Calcium-bound Form	A novel calcium-sensitive switch revealed by the structure of human S100B in the calcium-bound form	Gary S Shaw, Steven P Smith
5189	2002-05-07	Chemical Shifts: 1 set	1H, 15N and 13C resonance assignments of rabbit apo-S100A11	Letter to the Editor: 1H, 15N and 13C Resonance Assignments of Rabbit Apo-S100A11	Anne C Rintala, Brett O Schonekess, Gary S Shaw, Michael P Walsh
5155	2001-10-18	Chemical Shifts: 1 set	NMR structure of the UBX domain from P47 (energy minimised average)	Solution Structure and Interaction Surface of the C-terminal Domain from p47: A Major p97-cofactor Involved in SNARE Disassembly	A Shaw, H Kondo, J Lally, P S Freemont, S J Matthews, X D Zhang, X M Yuan
4923	2002-09-23	Chemical Shifts: 1 set	1H chemical shift assignments for omega-atracotoxin-Hv2a	Discovery and structure of a potent and highly specific blocker of insect calcium channels.	D Shaw, D Wilson, Glenn F King, G M Nicholson, H I Wilson, J P Mackay, M Connor, M J Christie, P F Alewood, R Smith, Xiu-hong Wang
4769	2001-05-03	Chemical Shifts: 1 set	Backbone 1H, 13C and 15N assignments for yeast ubiquitin at pH 7.5	Identification of the Ubiquitin Interfacial Residues in a Ubiquitin-E2 Covalent Complex	Gary S Shaw, Katherine S Hamilton, Michael J Ellison
4754	2002-04-03	Chemical Shifts: 4 sets	Determination of the three dimensional structure of the synthetic 113Cd3-beta-C domain of lobster MT-1 by Nuclear Magnetic Resonance	Structure of the 113Cd3 Beta Domains from Homarus americanus Metallothionein-1: Hydrogen bonding and Solvent Accessibility of Sulfur Atoms	Amalia Munoz, C Frank Shaw, David H Petering, F Holger Forsterling
4725	2002-04-03	Chemical Shifts: 4 sets Coupling Constants: 1 set	Determination of the three dimensional structure and HN--S hydrogen bonding of the synthetic 113Cd3-beta-N domain of lobster MT-1 by Nuclear Magnetic Resonance	Structure of the 113Cd3 Beta Domains from Homarus americanus Metallothionein-1: Hydrogen bonding and Solvent Accessibility of Sulfur Atoms	Amalia Munoz, C Frank Shaw, David H Petering, F Holger Forsterling
4684	2003-08-27	Chemical Shifts: 1 set Coupling Constants: 2 sets	Three-Dimensional Solution Structure of the Isolated Cd4-alpha Domain of Metallothionein 2. Determination by Homonuclear and Heteronuclear Magnetic Resonance Spectroscopy	Structural Consequences of Metallothionein Dimerization: Solution Structure of the Isolated Cd4-alpha Domain and Comparison with the Holoprotein Dimer	Amalia Munoz, C Frank Shaw, David H Petering, Eugene DeRose, John W Ejnik
4567	2000-04-03	Chemical Shifts: 1 set	1H, 15N and 13C resonance assignments for the catalytic domain of the yeast E2, UBC1	Letter to the Editor: 1H, 15N and 13C Resonance Assignments for the Catalytic Domain of the Yeast E2, UBC1	Gary S Shaw, Katherine S Hamilton, Michael J Ellison
4060	2002-07-17	Chemical Shifts: 1 set	Multinuclear Backbone NMR Resonance Assignments and the Secondary Structure of Escherichia coli Thioesterase/Protease I - A Member of a New Subclass of Lipolytic Enzymes	Multinuclear Backbone NMR Resonance Assignments and the Secondary Structure of Escherichia coli Thioesterase/Protease I - A Member of a New Subclass of Lipolytic Enzymes	Chinpan Chen, Jei-Fu Shaw, Rong-Fong Huang, Ta-Hsien Lin, Tai-huang Huang, Ya-Lin Lee
3118	1995-07-31	Chemical Shifts: 1 set	Stoichiometry of Calcium Binding to a Synthetic Heterodimeric Troponin-C Domain	Stoichiometry of Calcium Binding to a Synthetic Heterodimeric Troponin-C Domain	Brian D Sykes, Gary S Shaw, Robert S Hodges
3119	1999-06-14	Chemical Shifts: 1 set	Stoichiometry of Calcium Binding to a Synthetic Heterodimeric Troponin-C Domain	Stoichiometry of Calcium Binding to a Synthetic Heterodimeric Troponin-C Domain	Brian D Sykes, Gary S Shaw, Robert S Hodges