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Entry ID	Data summary	Entry Title	Citation Title	Authors
31120	Chemical Shifts: 1 set Spectral_peak_list: 1 set	Solution structure of toxin, U-RDTX-Pp19, from assassin bug Pristhesancus plagipennis	An insect trans-defensin with insecticidal activity from assassin bug venom	A A Walker, C Weirauch, E Gordon, E Wilbrink, G F King, H Wirth, J Jin, M H Goudarzi, S Guo, Y KY Chin
52001	Chemical Shifts: 3 sets	Backbone Resonance Assignments of Human GDP-bound KRAS4a Isoform	Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties	Andrew G Stephen, Dhirendra K Simanshu, Dominic Esposito, Dwight V Nissley, Frank McCormick, Gabriel Cornilescu, Matthew J Whitley, Megan Rigby, Ming Yi, Nitya Ramakrishnan, Shelley Perkins, Simon Messing, Srisathiyanarayanan Dharmaiah, Thomas Turbyville, Timothy H Tran, Timothy J Waybright, Troy Taylor
52002	Chemical Shifts: 1 set	Backbone Resonance Assignments of Human GMPPNP-bound KRAS4a Isoform	Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties	Andrew G Stephen, Dhirendra K Simanshu, Dominic Esposito, Dwight V Nissley, Frank McCormick, Gabriel Cornilescu, Matthew J Whitley, Megan Rigby, Ming Yi, Nitya Ramakrishnan, Shelley Perkins, Simon Messing, Srisathiyanarayanan Dharmaiah, Thomas Turbyville, Timothy H Tran, Timothy J Waybright, Troy Taylor
51642	Chemical Shifts: 1 set	KRAS4b(1-169)-G13D GppNHp	Reduced dynamic complexity allows structure elucidation of an excited state of KRASG13D	Albert H Chan, Charles D Schwieters, Dhirendra K Simanshu, Dominic Esposito, Dwight V Nissley, Fa-An A Chao, Frank McCormick, Gabriel Cornilescu, Nitya Ramakrishnan, Srisathiyanarayanan Dharmaiah, Timothy H Tran, Troy Taylor
30954	Chemical Shifts: 1 set	Mu-conotoxin KIIIA isomer 2	Structural and functional insights into the inhibition of human voltage-gated sodium channels by mu-conotoxin KIIIA disulfide isomers	C I Schroeder, H NT Tran, I Vetter, J R Dueis, K L McMahon
30953	Chemical Shifts: 1 set	Native mu-conotoxin KIIIA isomer	Structural and functional insights into the inhibition of human voltage-gated sodium channels by mu-conotoxin KIIIA disulfide isomers	C I Schroeder, H NT Tran, I Vetter, J R Deuis, K L McMahon
30788	Chemical Shifts: 1 set	The FARFAR-NMR Ensemble of 29-mer HIV-1 Trans-activation Response Element RNA (N=20)	Rapid and accurate determination of atomistic RNA dynamic ensemble models using NMR and structure prediction	A Rangadurai, D A Case, D Herschlag, H Abou-Assi, H M Al-Hashimi, H Shi, J D Yesselman, R Roy
30758	Chemical Shifts: 1 set	Pharmacological characterisation and NMR structure of the novel mu-conotoxin SxIIIC, a potent irreversible NaV channel inhibitor	Discovery, pharmacological characterisation and NMR structure of the novel mu-conotoxin SxIIIC, a potent irreversible NaV channel inhibitor	C I Schroeder, H NT Tran, I Vetter, J R Deuis, K L McMahon, R J Lewis
36051	Chemical Shifts: 1 set	Solution structure of the Family 1 carbohydrate-binding module with mannosylated Thr1	Structural Insight into the Stabilizing Effect of O-Glycosylation	A H Tran, C Chen, P K Chaffey, Q Cui, T N Koelsch, X Guan, X Wang, Y Feng, Y Ruan, Z Tan
36050	Chemical Shifts: 1 set	Solution structure of the Family 1 carbohydrate-binding module, unglycosylated form	Structural Insight into the Stabilizing Effect of O-Glycosylation	A H Tran, C Chen, P K Chaffey, Q Cui, T N Koelsch, X Guan, X Wang, Y Feng, Y Ruan, Z Tan
36056	Chemical Shifts: 1 set	Solution structure of the Family 1 carbohydrate-binding module Y5A mutant with mannosylated Ser3	Structural Insight into the Stabilizing Effect of O-Glycosylation	A H Tran, C Chen, P K Chaffey, Q Cui, T Feng, T N Koelsch, X Guan, X Wang, Y Ruan, Z Tan
36053	Chemical Shifts: 1 set	Solution structure of the Family 1 carbohydrate-binding module with mannosylated Ser14	Structural Insight into the Stabilizing Effect of O-Glycosylation	A H Tran, C Chen, P K Chaffey, Q Cui, T N Koelsch, X Guan, X Wang, Y Feng, Y Ruan, Z Tan
36054	Chemical Shifts: 1 set	Solution structure of the Family 1 carbohydrate-binding module with glucosylated Ser3	Structural Insight into the Stabilizing Effect of O-Glycosylation	A H Tran, C Chen, P K Chaffey, Q Cui, T N Koelsch, X Guan, X Wang, Y Feng, Y Ruan, Z Tan
36052	Chemical Shifts: 1 set	Solution structure of the Family 1 carbohydrate-binding module with mannosylated Ser3	Structural Insight into the Stabilizing Effect of O-Glycosylation	A H Tran, C Chen, P K Chaffey, Q Cui, T N Koelsch, X Guan, X Wang, Y Feng, Y Ruan, Z Tan
36055	Chemical Shifts: 1 set	Solution structure of the Family 1 carbohydrate-binding module Q2A mutant with mannosylated Ser3	Structural Insight into the Stabilizing Effect of O-Glycosylation	A H Tran, C Chen, P K Chaffey, Q Cui, T N Koelsch, X Guan, X Wang, Y Feng, Y Ruan, Z Tan
19133	Chemical Shifts: 1 set	SOLUTION STRUCTURE OF trans(C2-P3) trans (D5-P6) of LO959 IN METHANOL	Conformational Diversity in Contryphans from Conus Venom: cis-trans Isomerisation and Aromatic/Proline Interactions in the 23-Membered Ring of a 7-Residue Peptide Disulfide Loop	Alex Rodriguez, Juan J Perez, K N S Rao, Konkallu H Gowd, Padmanabhan Balaram, Rajesh Sonti, Srinivasarao Ragothama
19131	Chemical Shifts: 1 set	SOLUTION NMR STRUCTURE OF trans (MAJOR) FORM OF In937 in Methanol	Conformational Diversity in Contryphans from Conus Venom: cis-trans Isomerisation and Aromatic/Proline Interactions in the 23-Membered Ring of a 7-Residue Peptide Disulfide Loop	Alex Rodriguez, Juan J Perez, K N S Rao, Konkallu H Gowd, Padmanabhan Balaram, Rajesh Sonti, Srinivasarao Ragothama
19132	Chemical Shifts: 1 set	SOLUTION STRUCTURE OF cis(C2-P3) trans (D5-P6) FORM OF lO959 IN WATER	Conformational Diversity in Contryphans from Conus Venom: cis-trans Isomerisation and Aromatic/Proline Interactions in the 23-Membered Ring of a 7-Residue Peptide Disulfide Loop	Alex Rodriguez, Juan J Perez, K N S Rao, Konkallu H Gowd, Padmanabhan Balaram, Rajesh Sonti, Srinivasarao Ragothama
19130	Chemical Shifts: 1 set	NMR SOLUTION STRUCTURE OF cis (MINOR) FORM OF In936 in Methanol	Conformational Diversity in Contryphans from Conus Venom: cis-trans Isomerisation and Aromatic/Proline Interactions in the 23-Membered Ring of a 7-Residue Peptide Disulfide Loop	Alex Rodriguez, Juan J Perez, K N S Rao, Konkallu H Gowd, Padmanabhan Balaram, Rajesh Sonti, Srinivasarao Ragothama
19129	Chemical Shifts: 1 set	NMR SOLUTION STRUCTURE OF trans (MAJOR) FORM OF In936	Conformational Diversity in Contryphans from Conus Venom: cis-trans Isomerisation and Aromatic/Proline Interactions in the 23-Membered Ring of a 7-Residue Peptide Disulfide Loop	Alex Rodriguez, Juan J Perez, K N S Rao, Konkallu H Gowd, Padmanabhan Balaram, Rajesh Sonti, Srinivasarao Ragothama
19128	Chemical Shifts: 1 set	cIn936W	Conformational Diversity in Contryphans from Conus Venom: cis-trans Isomerisation and Aromatic/Proline Interactions in the 23-Membered Ring of a 7-Residue Peptide Disulfide Loop	Alex Rodriguez, Juan J Perez, K N S Rao, Konkallu H Gowd, Padmanabhan Balaram, Rajesh Sonti, Srinivasarao Ragothama
6171	Chemical Shifts: 1 set Coupling Constants: 1 set	Solution structure of the second complement control protein (CCP) module of the GABA(B)R1a receptor, Pro-119 trans conformer	Structural analysis of the CCP modules of the GABAB receptor 1a: Only one of the two CCP modules is compactly folded	B O Smith, D C Soares, D Uhrin, J H White, P N Barlow, R Ginham, R J McIlhinney, S C Blein, S Veltel
5461	Chemical Shifts: 2 sets	Chemical shift assignments Itk SH2 domain, conformation corresponding to cis and trans proline 287	Structural Characterization of a Proline-driven Conformational Switch within the Itk SH2 Domain	Amy H Andreotti, D Bruce Fulton, Kristine N Brazin, Robert J Mallis
4647	Chemical Shifts: 3 sets	HPRT Gene Mutation Hotspot with a BPDE2(10R) Adduct	NMR Evidence for Syn-Anti Interconversion of a Trans Opened (10R)-dA Adduct of Benzo[a]pyrene (7S,8R)-Diol (9R,10S)-Epoxide in a DNA Duplex	B A Luxon, C Liange, D E Volk, D G Gorenstein, D M Jerina, G Xie, H JC Yeh, J M Sayer, J S Rice
4273	Chemical Shifts: 3 sets	Candidacidal Activity Prompted by N-terminus Histatin-like Domain of Human Salivary Mucin (MUC7)	Candidacidal Activity Prompted by N-terminus Histatin-like Domain of Human Salivary Mucin (MUC7)	Duy T Tran, Gowda A Naganagowda, Joseph H Levine, Kalaiyarasi Ramalingam, Michael J Levine, Narayanan Ramasubbu, Tarikere L Gururaja
1725	Chemical Shifts: 1 set	Cell Adhesion Promoting Peptide GVKGDKGNPGWPGAP from the CollagenType IV Triple Helix: Cis/Trans Proline-Induced Multiple 1H NMR Conformations and Evidence for a KG/PG Multiple Turn Repeat Motif in the All-Trans Proline State	Cell Adhesion Promoting Peptide GVKGDKGNPGWPGAP from the CollagenType IV Triple Helix: Cis/Trans Proline-Induced Multiple 1H NMR Conformations and Evidence for a KG/PG Multiple Turn Repeat Motif in the All-Trans Proline State	Dennisse Parra-Diaz, James B McCarthy, Kevin H Mayo, Mary Chelberg
1709	Chemical Shifts: 1 set	Cell Adhesion Promoting Peptide GVKGDKGNPGWPGAP from the CollagenType IV Triple Helix: Cis/Trans Proline-Induced Multiple 1H NMR Conformations and Evidence for a KG/PG Multiple Turn Repeat Motif in the All-Trans Proline State	Cell Adhesion Promoting Peptide GVKGDKGNPGWPGAP from the CollagenType IV Triple Helix: Cis/Trans Proline-Induced Multiple 1H NMR Conformations and Evidence for a KG/PG Multiple Turn Repeat Motif in the All-Trans Proline State	Dennisse Parra-Diaz, James B McCarthy, Kevin H Mayo, Mary Chelberg
1722	Chemical Shifts: 1 set	Cell Adhesion Promoting Peptide GVKGDKGNPGWPGAP from the CollagenType IV Triple Helix: Cis/Trans Proline-Induced Multiple 1H NMR Conformations and Evidence for a KG/PG Multiple Turn Repeat Motif in the All-Trans Proline State	Cell Adhesion Promoting Peptide GVKGDKGNPGWPGAP from the CollagenType IV Triple Helix: Cis/Trans Proline-Induced Multiple 1H NMR Conformations and Evidence for a KG/PG Multiple Turn Repeat Motif in the All-Trans Proline State	Dennisse Parra-Diaz, James B McCarthy, Kevin H Mayo, Mary Chelberg
1723	Chemical Shifts: 1 set	Cell Adhesion Promoting Peptide GVKGDKGNPGWPGAP from the CollagenType IV Triple Helix: Cis/Trans Proline-Induced Multiple 1H NMR Conformations and Evidence for a KG/PG Multiple Turn Repeat Motif in the All-Trans Proline State	Cell Adhesion Promoting Peptide GVKGDKGNPGWPGAP from the CollagenType IV Triple Helix: Cis/Trans Proline-Induced Multiple 1H NMR Conformations and Evidence for a KG/PG Multiple Turn Repeat Motif in the All-Trans Proline State	Dennisse Parra-Diaz, James B McCarthy, Kevin H Mayo, Mary Chelberg
1724	Chemical Shifts: 1 set	Cell Adhesion Promoting Peptide GVKGDKGNPGWPGAP from the CollagenType IV Triple Helix: Cis/Trans Proline-Induced Multiple 1H NMR Conformations and Evidence for a KG/PG Multiple Turn Repeat Motif in the All-Trans Proline State	Cell Adhesion Promoting Peptide GVKGDKGNPGWPGAP from the CollagenType IV Triple Helix: Cis/Trans Proline-Induced Multiple 1H NMR Conformations and Evidence for a KG/PG Multiple Turn Repeat Motif in the All-Trans Proline State	Dennisse Parra-Diaz, James B McCarthy, Kevin H Mayo, Mary Chelberg
1475	Chemical Shifts: 1 set	Isotope-Edited NMR of Cyclosporin A Bound to Cyclophilin: Evidence for a Trans 9,10 Amide Bond	Isotope-Edited NMR of Cyclosporin A Bound to Cyclophilin: Evidence for a Trans 9,10 Amide Bond	D A Egan, D H Rich, Jay R Luly, R Helfrich, Robert T Gampe, Rohinton P Edalji, R Simmer, Stephen W Fesik, Thomas F Holzman, V Kishore
1726	Chemical Shifts: 1 set	Cell Adhesion Promoting Peptide GVKGDKGNPGWPGAP from the CollagenType IV Triple Helix: Cis/Trans Proline-Induced Multiple 1H NMR Conformations and Evidence for a KG/PG Multiple Turn Repeat Motif in the All-Trans Proline State	Cell Adhesion Promoting Peptide GVKGDKGNPGWPGAP from the CollagenType IV Triple Helix: Cis/Trans Proline-Induced Multiple 1H NMR Conformations and Evidence for a KG/PG Multiple Turn Repeat Motif in the All-Trans Proline State	Dennisse Parra-Diaz, James B McCarthy, Kevin H Mayo, Mary Chelberg
bmse001254	Chemical Shifts: 1 set Spectral_peak_list: 5 sets	trans-Nerolidol	trans-Nerolidol	Alexandre Souvorov, David J Lipman, David Landsman, David L Wheeler, Deanna M Church, Dennis A Benson, Donna R Maglott, Edwin Sequeira, Eugene Yaschenko, Gregory D Schuler, Grigory Starchenko, Hamid R Eghbalnia, Hesam Dashti, James J Ellinger, James Ostell, John L Markley, Karl Sirotkin, Kathi Canese, Kim D Pruitt, Lawrence J Clos, Lewis Y Geer, Lukas Wagner, Maria Nesterova, M F Jofre, Michael DiCuccio, Oleg Khovayko, Paulo F Cobra, Roman L Tatusov, Ron Edgar, Scott Federhen, Stephen H Bryant, Steven T Sherry, Tanya Barrett, Tatiana A Tatusova, Thomas L Madden, Vadim Miller, Vyacheslav Chetvenin, William M Westler, Yuri Kapustin
bmse000966	Chemical Shifts: 1 set	trans 4 Hydroxy-L-proline		A Souvorov, D A Benson, D J Lipman, D L Kenton, D L Wheeler, D M Church, D R Maglott, E Sequeira, E Yaschenko, G D Schuler, G Starchenko, J Ostell, K Canese, K D Pruitt, K Sirotkin, L Bagner, L M Schriml, L Y Geer, M DiCuccio, O Khovayko, R Edgar, R Tatusov, S Federhen, S H Bryant, S T Sherry, T A Tatusova, T Barrett, T L Madden, T O Suzek, V Chetvenin, W Helmberg, Y Kapustin
bmse000727	Chemical Shifts: 1 set	trans-2,3-dimethylacrylic acid		A Souvorov, D A Benson, D J Lipman, D L Kenton, D L Wheeler, D M Church, D R Maglott, E Sequeira, E Yaschenko, G D Schuler, G Starchenko, J Ostell, K Canese, K D Pruitt, K Sirotkin, L Bagner, L M Schriml, L Y Geer, M DiCuccio, O Khovayko, R Edgar, R Tatusov, S Federhen, S H Bryant, S T Sherry, T A Tatusova, T Barrett, T L Madden, T O Suzek, V Chetvenin, W Helmberg, Y Kapustin
bmse000665	Chemical Shifts: 1 set	trans_dehydroandrosterone		A Souvorov, D A Benson, D J Lipman, D L Kenton, D L Wheeler, D M Church, D R Maglott, E Sequeira, E Yaschenko, G D Schuler, G Starchenko, J Ostell, K Canese, K D Pruitt, K Sirotkin, L Bagner, L M Schriml, L Y Geer, M DiCuccio, O Khovayko, R Edgar, R Tatusov, S Federhen, S H Bryant, S T Sherry, T A Tatusova, T Barrett, T L Madden, T O Suzek, V Chetvenin, W Helmberg, Y Kapustin
bmse000596	Chemical Shifts: 1 set	trans-3-hexenedioic acid		A Souvorov, D A Benson, D J Lipman, D L Kenton, D L Wheeler, D M Church, D R Maglott, E Sequeira, E Yaschenko, G D Schuler, G Starchenko, J Ostell, K Canese, K D Pruitt, K Sirotkin, L Bagner, L M Schriml, L Y Geer, M DiCuccio, O Khovayko, R Edgar, R Tatusov, S Federhen, S H Bryant, S T Sherry, T A Tatusova, T Barrett, T L Madden, T O Suzek, V Chetvenin, W Helmberg, Y Kapustin
bmse000463	Chemical Shifts: 1 set	trans-trans-Muconic acid		A Souvorov, D A Benson, D J Lipman, D L Kenton, D L Wheeler, D M Church, D R Maglott, E Sequeira, E Yaschenko, G D Schuler, G Starchenko, J Ostell, K Canese, K D Pruitt, K Sirotkin, L Bagner, L M Schriml, L Y Geer, M DiCuccio, O Khovayko, R Edgar, R Tatusov, S Federhen, S H Bryant, S T Sherry, T A Tatusova, T Barrett, T L Madden, T O Suzek, V Chetvenin, W Helmberg, Y Kapustin
bmse000347	Chemical Shifts: 1 set	trans-2-Hydroxycinnamic acid		A Souvorov, D A Benson, D J Lipman, D L Kenton, D L Wheeler, D M Church, D R Maglott, E Sequeira, E Yaschenko, G D Schuler, G Starchenko, J Ostell, K Canese, K D Pruitt, K Sirotkin, L Bagner, L M Schriml, L Y Geer, M DiCuccio, O Khovayko, R Edgar, R Tatusov, S Federhen, S H Bryant, S T Sherry, T A Tatusova, T Barrett, T L Madden, T O Suzek, V Chetvenin, W Helmberg, Y Kapustin
bmse000093	Chemical Shifts: 1 set	trans-3-Hydroxycinnamic acid		A Souvorov, D A Benson, D J Lipman, D L Kenton, D L Wheeler, D M Church, D R Maglott, E Sequeira, E Yaschenko, G D Schuler, G Starchenko, J Ostell, K Canese, K D Pruitt, K Sirotkin, L Bagner, L M Schriml, L Y Geer, M DiCuccio, O Khovayko, R Edgar, R Tatusov, S Federhen, S H Bryant, S T Sherry, T A Tatusova, T Barrett, T L Madden, T O Suzek, V Chetvenin, W Helmberg, Y Kapustin
bmse000123	Chemical Shifts: 1 set	trans 4 Hydroxy-L-proline		A Souvorov, D A Benson, D J Lipman, D L Kenton, D L Wheeler, D M Church, D R Maglott, E Sequeira, E Yaschenko, G D Schuler, G Starchenko, J Ostell, K Canese, K D Pruitt, K Sirotkin, L Bagner, L M Schriml, L Y Geer, M DiCuccio, O Khovayko, R Edgar, R Tatusov, S Federhen, S H Bryant, S T Sherry, T A Tatusova, T Barrett, T L Madden, T O Suzek, V Chetvenin, W Helmberg, Y Kapustin
bmse000124	Chemical Shifts: 1 set	trans-Cinnamic acid		A Souvorov, D A Benson, D J Lipman, D L Kenton, D L Wheeler, D M Church, D R Maglott, E Sequeira, E Yaschenko, G D Schuler, G Starchenko, J Ostell, K Canese, K D Pruitt, K Sirotkin, L Bagner, L M Schriml, L Y Geer, M DiCuccio, O Khovayko, R Edgar, R Tatusov, S Federhen, S H Bryant, S T Sherry, T A Tatusova, T Barrett, T L Madden, T O Suzek, V Chetvenin, W Helmberg, Y Kapustin