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Entry ID	Original Release date	Data summary	Entry Title	Citation Title	Authors
51472	2022-10-19	Chemical Shifts: 1 set	Backbone amide chemical shifts for PBRM1-BD2	Selective and Cell-Active PBRM1 Bromodomain Inhibitors Discovered through NMR Fragment Screening	Brayden P Strohmier, Brian C Smith, Brian F Volkman, Christopher J Goetz, Davin R Jensen, Emily C Dykhuizen, Francis C Peterson, Karina L Bursch, Mallory K Roach, Maya E Blau, Michael D Olp, Raymundo Nunez, Sandra C Ordonez-Rubiano, Shifali Shishodia, Tyler G Fenske
51450	2022-10-19	Chemical Shifts: 1 set	Backbone amide chemical shifts for PBRM1-BD2 bound to 5-Chloro-2-(3-methylphenyl)-2,3-dihydroquinazolin-4(1H)-one	Selective and Cell-Active PBRM1 Bromodomain Inhibitors Discovered through NMR Fragment Screening	Brayden P Strohmier, Brian C Smith, Brian F Volkman, Christopher J Goetz, Davin R Jensen, Emily C Dykhuizen, Francis C Peterson, Karina L Bursch, Mallory K Roach, Maya E Blau, Michael D Olp, Raymundo Nunez, Sandra C Ordonez-Rubiano, Shifali Shishodia, Tyler G Fenske
30973	2022-09-08	Chemical Shifts: 1 set	Solution structure of 7SK stem-loop 1 with HIV-1 Tat Finland Arginine Rich Motif	A structure-based mechanism for displacement of the HEXIM adapter from 7SK small nuclear RNA	J L Meagher, J L Smith, M Gao, V M D'Souza, V V Pham
30972	2022-09-08	Chemical Shifts: 1 set	Solution structure of 7SK stem-loop 1 with HIV-1 Tat Subtype G Arginine Rich Motif	A structure-based mechanism for displacement of the HEXIM adapter from 7SK small nuclear RNA	J L Meagher, J L Smith, M Gao, V M D'Souza, V V Pham
30971	2022-09-08	Chemical Shifts: 1 set	Solution structure of 7SK stem-loop 1 with HEXIM Arginine Rich Motif	A structure-based mechanism for displacement of the HEXIM adapter from 7SK small nuclear RNA	J L Meagher, J L Smith, M Gao, V M D'Souza, V V Pham
30517	2020-02-28	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
34153	2017-12-26	Chemical Shifts: 1 set	M. tuberculosis [4Fe-4S] protein WhiB1 is a four-helix bundle that forms a NO-sensitive complex with sigmaA and regulates the major virulence factor ESX-1	Structure of a Wbl protein and implications for NO sensing by M. tuberculosis	A M Hounslow, B K Kudhair, D M Hunt, J C Crack, J Green, L J Smith, M D Rolfe, M P Williamson, N E Le Brun, R S Buxton
27014	2017-06-30	Chemical Shifts: 1 set	Chemical shift assignments (HN,N,CA,CB) of oxidised c-NmDsbD	H(N), N, C(alpha) and C(beta) assignments of the two periplasmic domains of Neisseria meningitidis DsbD	Begona Heras, Biswaranjan Mohanty, Martin J Scanlon, Martin L Williams, Roxanne P Smith
27015	2017-06-30	Chemical Shifts: 1 set	Chemical shift assignments (HN,N,CA,CB) of reduced c-NmDsbD	H(N), N, C(alpha) and C(beta) assignments of the two periplasmic domains of Neisseria meningitidis DsbD	Begona Heras, Biswaranjan Mohanty, Martin J Scanlon, Martin L Williams, Roxanne P Smith
27013	2017-06-30	Chemical Shifts: 1 set	Chemical shift assignments (HN,N,CA,CB) of reduced n-NmDsbD	H(N), N, C(alpha) and C(beta) assignments of the two periplasmic domains of Neisseria meningitidis DsbD	Begona Heras, Biswaranjan Mohanty, Martin J Scanlon, Martin L Williams, Roxanne P Smith
27012	2017-06-30	Chemical Shifts: 1 set	Chemical shift assignments (HN,N,CA,CB) of oxidised n-NmDsbD	H(N), N, C(alpha) and C(beta) assignments of the two periplasmic domains of Neisseria meningitidis DsbD	Begona Heras, Biswaranjan Mohanty, Martin J Scanlon, Martin L Williams, Roxanne P Smith
19926	2019-07-12	Chemical Shifts: 1 set	Backbone resonance assignments of the R42W mutant of pyrin domain of human Pyrin	Identification of multifaceted binding modes for pyrin and ASC pyrin domains gives insights into pyrin inflammasome assembly	Justine M Hill, Katryn J Stacey, Parimala R Vajjhala, Qi-Rui Ong, Sarah J Smith, Sebastian Kaiser, Stephanie L Soh
19875	2014-07-14	Chemical Shifts: 1 set	Backbone resonance assignments of the pyrin domain of human Pyrin	Identification of multifaceted binding modes for pyrin and ASC pyrin domains gives insights into pyrin inflammasome assembly	Justine M Hill, Katryn J Stacey, Parimala R Vajjhala, Qi-Rui Ong, Sarah J Smith, Sebastian Kaiser, Stephanie L Soh
11543	2014-10-20	Chemical Shifts: 1 set	NMR solution structure of [G5,T7,S9]-oxytocin	Oxytocic plant cyclotides as templates for peptide G protein-coupled receptor ligand design	Alysha G Elliott, Christian W Gruber, David J Craik, Johannes Koehbach, Margaret O'Brien, Marion Miazzo, Markus Muttenthaler, Michael Freissmuth, Muharrem Akcan, Norelle L Daly, Peta J Harvey, Philip E Dawson, Sarah Arrowsmith, Sunithi Gunasekera, Susan Wray, Terry J Smith, Ulf Goransson
19595	2014-02-11	Chemical Shifts: 1 set	NMR solution structure of oxytocin	Oxytocic plant cyclotides as templates for peptide G protein-coupled receptor ligand design.	Alysha G Daly, David J Freissmuth, Johannes Koehbach, Margaret Muttenthaler, Marion Akcan, Markus Miazzo, Michael Gruber, Muharrem Elliott, Norelle L Harvey, Peta J Arrowsmith, Philip E Craik, Sarah Gunasekera, Sunithi Smith, Susan Goransson, Terry J Wray, Ulf Dawson
15214	2007-09-12	Chemical Shifts: 1 set	MxiHCdelta5 backbone assignment	Identification of the MxiH needle protein residues responsible for anchoring invasion plasmid antigen D to the type III secretion needle tip	Andrew J Olive, Lingling Zhang, Nathan D Smith, Roberto N De Guzman, Wendy L Picking, William D Picking, Yu Wang
5201	2008-07-16	Chemical Shifts: 1 set	NMR ensemble of ion-selective ligand A1 for platelet integrin alphaIIb-beta3	Selection and Structure of Ion-selective Ligands for Platelet Integrin Alpha IIbbeta3	H Le Calvez, J W Smith, L Parra-Gessert, N Assa-Munt, N E Preece, X Jia
5021	2008-07-16	Chemical Shifts: 1 set Coupling Constants: 1 set	NMR Ensemble of Ion-Selective Ligand D18 for Platelet Integrin AlphaIIb-Beta3	Selection and Structure of Ion-selective Ligands for Platelet Integrin {Alpha}IIb{beta}3	H Le Calvez, J W Smith, L Parra-Gessert, N Assa-Munt, N E Preece, X Jia
5020	2008-07-16	Chemical Shifts: 1 set Coupling Constants: 1 set	NMR Ensemble of Ion-Selective Ligand D18 for Platelet Integrin AlphaIIb-Beta3	Selection and Structure of Ion-selective Ligands for Platelet Integrin {Alpha}IIb{beta}3	H Le Calvez, J W Smith, L Parra-Gessert, N Assa-Munt, N E Preece, X Jia
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