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Entry ID	Original Release date	Data summary	Entry Title	Citation Title	Authors
34451	2020-02-13	Chemical Shifts: 1 set	Solution structure of MacpD, a acyl carrier protein, from Pseudomonas fluorescens involved in Mupirocin biosynthesis.	A Priming Cassette Generates Hydroxylated Acyl Starter Units in Mupirocin and Thiomarinol Biosynthesis.	A J Winter, A NM Weir, C L Willis, C Williams, L Wang, M P Crump, M T Rowe, N Akter, P D Walker, P R Race, T J Simpson, Z Song
30189	2017-04-06	Chemical Shifts: 1 set	Model structure of oxidized PaDsbA1 and 3-((2-methylbenzyl)thio)-4H-1,2,4-triazol-4-amine complex	Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1	Biswaranjan Mohanty, Craig J Morton, Jamie S Simpson, Jennifer L Martin, Kieran Rimmer, Mansha Vazirani, Martin J Scanlon, Mathieu Coincon, Roisin M McMahon, Stephanie Tay, Stephen J Headey, Stephen R Shouldice
26011	2017-03-23	Chemical Shifts: 1 set Spectral_peak_list: 2 sets	Apo solution structure of Hop TPR2A	Solution structure of the Hop TPR 2A domain and validation of novel approaches to inhibitor indentification by NMR, biochemical and in silico screening	John F Darby, Laurence H Pearl, Lewis R Vidler, Paul Workman, Peter J Simpson, Steven J Matthews, Swee Y Sharp, Swen Hoelder
19839	2019-01-11	Chemical Shifts: 1 set	H, N, Calpha and Cbeta assignments of reduced Escherichia coli DsbA at pH 6.8	Application of fragment-based screening to the design of inhibitors of Escherichia coli DsbA.	Begona Heras, Biswaranjan Mohanty, Bradley C Doak, Brent R Plumb, Ellen C Gleeson, James Horne, Jamie S Simpson, Jennifer L Martin, Kieran Rimmer, Luke A Adams, Makrina Totsika, Mansha Vazirani, Mark D Mulcair, Martin J Scanlon, Martin L Williams, Olga V Ilyichova, Pooja Sharma, Sofia Caria, Stephen J Headey, Stephen R Shouldice
19838	2019-01-11	Chemical Shifts: 1 set	H, N, Calpha and Cbeta assignments of oxidized Escherichia coli DsbA at pH 6.8	Application of fragment-based screening to the design of inhibitors of Escherichia coli DsbA.	Begona Heras, Biswaranjan Mohanty, Bradley C Doak, Brent R Plumb, Ellen C Gleeson, James Horne, Jamie S Simpson, Jennifer L Martin, Kieran Rimmer, Luke A Adams, Makrina Totsika, Mansha Vazirani, Mark D Mulcair, Martin J Scanlon, Martin L Williams, Olga V Ilyichova, Pooja Sharma, Sofia Caria, Stephen J Headey, Stephen R Shouldice
19779	2014-12-01	Chemical Shifts: 1 set	Solution structure of the SGTA N-terminal domain	Solution structure of the SGTA dimerisation domain and investigation of its interactions with the ubiquitin-like domains of BAG6 and UBL4A	A C Simon, C Alfano, D S Bishop, E M Krysztofinska, J F Darby, L R Hale, M R Conte, N Sriskandarajah, P J Simpson, Rivka Isaacson, S High
19417	2014-11-10	Chemical Shifts: 1 set	NMR solution structure of oxidised PaDsbA	The DsbA oxidoreductase from Pseudomonas aeruginosa binds ligands at a site alternate to other DsbAs	Biswaranjan Mohanty, Craig Morton, Jamie S Simpson, Jennifer L Martin, Kieran Rimmer, Mansha Vazirani, Martin J Scanlon, Stephen J Headey, Stephen R Shouldice
19414	2014-11-10	Chemical Shifts: 1 set	PaDsbA	The DsbA oxidoreductase from Pseudomonas aeruginosa binds ligands at a site alternate to other DsbAs	Biswaranjan Mohanty, Craig Morton, Jamie S Simpson, Jennifer L Martin, Kieran Rimmer, Mansha Vazirani, Martin J Scanlon, Stephen J Headey, Stephen R Shouldice
19003	2013-03-21	Chemical Shifts: 1 set	Solution structure of the Core Domain (10-76) of the Feline Calicivirus VPg protein.	Structures of the Compact Helical Core Domains of Feline Calicivirus and Murine Norovirus VPg Proteins.	C Cheng Kao, Chennareddy V Subba-Reddy, Eoin N Leen, Ian G Goodfellow, James R Birtley, Jan Marchant, Joanna C Young, Kim Y Green, K Y Rex Kwok, Liliane MW Chung, Lisa O Roberts, Michael Tong, Peter J Simpson, Sean N Prater, Stanislav V Sosnovtsev, Stephen Curry, Stephen Matthews, Yasmin Chaudhry
19002	2013-03-21	Chemical Shifts: 1 set	Solution structure of the Core Domain (11-85) of the Murine Norovirus VPg protein.	Structures of the Compact Helical Core Domains of Feline Calicivirus and Murine Norovirus VPg Proteins.	C Cheng Kao, Chennareddy V Subba-Reddy, Eoin N Leen, Ian G Goodfellow, James R Birtley, Jan Marchant, Joanna C Young, Kim Y Green, K Y Rex Kwok, Liliane MW Chung, Lisa O Roberts, Michael Tong, Peter J Simpson, Sean N Prater, Stanislav V Sosnovtsev, Stephen Curry, Stephen Matthews, Yasmin Chaudhry
18966	2013-02-11	Chemical Shifts: 1 set	Global folded of the type IV pilin ComP from Neisseria meningitidis	Specific DNA recognition mediated by a type IV pilin.	Ana Cehovin, Daniel R Brown, Geoffrey S Baldwin, Jacob Brady, Melanie A McDowell, Mitchell Pallett, Peter J Simpson, Rossella Noschese, Stephen J Matthews, Susan M Lea, Vladimir Pelicic
18341	2012-11-15	Chemical Shifts: 1 set	Sgt2_NT	1H, 13C and 15N assignments of Sgt2N-terminal dimerisation domain and its binding partner, Get5 Ubiquitin-like domain.	Aline C Simon, Lisa R Hale, Peter J Simpson, Rachael M Goldstone, Rivka L Isaacson, William Hawthorne
18342	2012-11-15	Chemical Shifts: 1 set	Backbone and sidechain assignments for Get5_UBL domain	1H, 13C and 15N assignments of Sgt2N-terminal dimerisation domain and its binding partner, Get5 Ubiquitin-like domain.	Aline C Simon, Lisa R Hale, Peter J Simpson, Rachael M Goldstone, Rivka L Isaacson, William Hawthorne
17960	2011-11-21	Chemical Shifts: 1 set	Complete 1H, 13C and 15N assignments of the kinetochore localisation domain of BUBR1 bound to a Blinkin motif	Structure of a Blinkin-BUBR1 complex reveals an interaction crucial for kinetochore-mitotic checkpoint regulation via an unanticipated binding Site.	Carol V Robinson, David R Spring, Dijana Matak-Vinkovic, Dimitri Y Chirgadze, Ernesto Cota, Jakob Nilsson, Pete J Simpson, Tiziana Lischetti, Tom L Blundell, Victor M Bolanos-Garcia
7203	2006-10-19	Chemical Shifts: 1 set	Backbone and sidechain 1H, 15N, and 13C chemical shift assignments for HOP	Analysis of the structure and function of the transcriptional coregulator HOP.	F E Loughlin, H J Kee, H Kook, J A Epstein, J A Lowry, Joel P Mackay, R J Simpson, S Shin, W W Yung, Z Yin
6216	2005-02-08	Chemical Shifts: 1 set Coupling Constants: 1 set	Solution structure of the third zinc finger domain of FOG-1	A classic zinc finger from friend of GATA mediates an interaction with the coiled-coil of transforming acidic coiled-coil 3	E Y Sum, J E Visvader, J M Matthews, J P Mackay, M Crossley, N Bartle, R J Simpson, S HY Lee
6178	2004-11-08	Chemical Shifts: 1 set	N-terminal Domain of the Polypyrimidine Tract Binding Protein Contains a New RRM Variant That Contributes to High-Affinity RNA Binding	Structure and RNA interactions of the N-terminal RRM domains of PTB	A Szendroi, C M Read, D I Svergun, J K Tyzack, M R Conte, N Davydova, P D Cary, P J Simpson, P V Konarev, S Curry, S J Matthews, T P Monie
6177	2004-11-08	Chemical Shifts: 1 set	N-terminal Domain of the Polypyrimidine Tract Binding Protein Contains a New RRM Variant That Contributes to High-Affinity RNA Binding	Structure and RNA interactions of the N-terminal RRM domains of PTB	A Szendroi, C M Read, D I Svergun, J K Tyzack, M R Conte, N Davydova, P D Cary, P J Simpson, P V Konarev, S Curry, S J Matthews, T P Monie
5851	2003-09-12	Chemical Shifts: 1 set Coupling Constants: 1 set	Solution Stucture of the Third Zinc Finger from BKLF	CCHX Zinc Finger Derivatives Retain the Ability to Bind Zn(II) and Mediate Protein-DNA Interactions	E D Cram, J M Matthews, J P Mackay, M Crossley, R Czolij, R JY Simpson