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Entry ID Original Release date Data summary Entry Title Citation Title Authors
31102 2024-03-08 Chemical Shifts: 1 set
NMR structure of L5pG ([p23W, G24W]kalata B1) Nucleation of a key beta-turn promotes cyclotide oxidative folding Download bibtex for citation iamge Conan K Wang, David J Craik, Simon J de Veer, Sixin Tian, Thomas Durek
50779 2021-12-14 Chemical Shifts: 1 set
Dipolar Coupling Values: 1 set
Structure and topology of DWORF-P15A in bicelles by oriented solid-state NMR A kink in DWORF helical structure controls the activation of the sarcoplasmic reticulum Ca 2+-ATPase Download bibtex for citation iamge Alfonso De Simone, Daniel K Weber, Erik K Larsen, Gianluigi Veglia, Seth Robia, Songlin Wang, Tata Gopinath, U Venkateswara V Reddy
50778 2021-06-25 Chemical Shifts: 1 set
Dipolar Coupling Values: 1 set
Structure and topology of DWORF in bicelles by oriented solid-state NMR A kink in DWORF helical structure controls the activation of the sarcoplasmic reticulum Ca 2+-ATPase Download bibtex for citation iamge Alfonso De Simone, Daniel K Weber, Erik K Larsen, Gianluigi Veglia, Seth Robia, Songlin Wang, Tata Gopinath, U Venkateswara V Reddy
50723 2021-05-18 Chemical Shifts: 1 set
Dipolar Coupling Values: 1 set
Phosphorylated phospholamban bound to SERCA in oriented bicelles (calcium-bound E1 state) Structural basis for allosteric control of the SERCA-Phospholamban membrane complex by Ca 2+ and phosphorylation Download bibtex for citation iamge Alfonso De Simone, Daniel K Weber, David D Thomas, Erik K Larsen, Gianluigi Veglia, Martin B Gustavsson, Razvan L Cornea, Songlin Wang, Tata Gopinath, U Venkateswara V Reddy
50722 2021-05-18 Chemical Shifts: 1 set
Dipolar Coupling Values: 1 set
Phosphorylated phospholamban bound to SERCA in oriented bicelles (calcium-free E2 state) Structural basis for allosteric control of the SERCA-Phospholamban membrane complex by Ca 2+ and phosphorylation Download bibtex for citation iamge Alfonso De Simone, Daniel K Weber, David D Thomas, Erik K Larsen, Gianluigi Veglia, Martin B Gustavsson, Razvan L Cornea, Songlin Wang, Tata Gopinath, U Venkateswara V Reddy
50721 2021-05-18 Chemical Shifts: 1 set
Dipolar Coupling Values: 1 set
Phospholamban bound to SERCA in oriented bicelles (calcium-bound E1 state) Structural basis for allosteric control of the SERCA-Phospholamban membrane complex by Ca 2+ and phosphorylation Download bibtex for citation iamge Alfonso De Simone, Daniel K Weber, David D Thomas, Erik K Larsen, Gianluigi Veglia, Martin B Gustavsson, Razvan L Cornea, Songlin Wang, Tata Gopinath, U Venkateswara V Reddy
50720 2021-05-18 Chemical Shifts: 1 set
Dipolar Coupling Values: 1 set
Phospholamban bound to SERCA in oriented bicelles (calcium-free E2 state) Structural basis for allosteric control of the SERCA-Phospholamban membrane complex by Ca 2+ and phosphorylation Download bibtex for citation iamge Alfonso De Simone, Daniel K Weber, David D Thomas, Erik K Larsen, Gianluigi Veglia, Martin B Gustavsson, Razvan L Cornea, Songlin Wang, Tata Gopinath, U Venkateswara V Reddy
50719 2021-05-18 Chemical Shifts: 1 set
Dipolar Coupling Values: 1 set
Monomeric phosphorylated phospholamban in oriented bicelles Structural basis for allosteric control of the SERCA-Phospholamban membrane complex by Ca 2+ and phosphorylation Download bibtex for citation iamge Alfonso De Simone, Daniel K Weber, David D Thomas, Erik K Larsen, Gianluigi Veglia, Martin B Gustavsson, Razvan L Cornea, Songlin Wang, Tata Gopinath, U Venkateswara V Reddy
50718 2021-05-18 Chemical Shifts: 1 set
Dipolar Coupling Values: 1 set
Monomeric phospholamban in oriented bicelles Structural basis for allosteric control of the SERCA-Phospholamban membrane complex by Ca 2+ and phosphorylation Download bibtex for citation iamge Alfonso De Simone, Daniel K Weber, David D Thomas, Erik K Larsen, Gianluigi Veglia, Martin B Gustavsson, Razvan L Cornea, Songlin Wang, Tata Gopinath, U Venkateswara V Reddy
50528 2021-02-17 Chemical Shifts: 1 set
Backbone chemical shift assignments for the C-terminal domain of T183A human prion protein (residues 125-230) at 16deg C, pH 7. Backbone NMR assignments of the C-terminal domain of the human prion protein and its disease-associated T183A variant Download bibtex for citation iamge Alfonso De Simone, Maximo Sanz-Hernandez
50527 2021-02-17 Chemical Shifts: 1 set
Backbone chemical shift assignments for the C-terminal domain of wild type human prion protein (residues 125-230) at 16deg C, pH 7. Backbone NMR assignments of the C-terminal domain of the human prion protein and its disease-associated T183A variant Download bibtex for citation iamge Alfonso De Simone, Maximo Sanz-Hernandez
30671 2020-04-16 Chemical Shifts: 1 set
Spectral_peak_list: 1 set
NMR solution structure of triazole bridged plasmin inhibitor Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides Download bibtex for citation iamge Andrew White, Conan K Wang, David Craik, Gordon J King, Guojie Wu, Joakim E Swedberg, Kuok Yap, Peta Harvey, Ruby Law, Simon de Veer, Thomas Durek
30666 2020-04-16 Chemical Shifts: 1 set
Spectral_peak_list: 1 set
NMR solution structure of SFTI-R10 Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides Download bibtex for citation iamge Andrew White, Conan K Wang, David Craik, Gordon J King, Guojie Wu, Joakim E Swedberg, Kuok Yap, Peta Harvey, Ruby Law, Simon de Veer, Thomas Durek
30667 2020-04-16 Chemical Shifts: 1 set
Spectral_peak_list: 1 set
NMR solution structure of SFTI1 based KLK7 protease inhibitor Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides Download bibtex for citation iamge Andrew White, Conan K Wang, David Craik, Gordon J King, Guojie Wu, Joakim E Swedberg, Kuok Yap, Peta Harvey, Ruby Law, Simon de Veer, Thomas Durek
30668 2020-04-16 Chemical Shifts: 1 set
Spectral_peak_list: 1 set
NMR solution structure of SFTI-1 based plasmin inhibitor Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides Download bibtex for citation iamge Andrew White, Conan K Wang, David Craik, Gordon J King, Guojie Wu, Joakim E Swedberg, Kuok Yap, Peta Harvey, Ruby Law, Simon de Veer, Thomas Durek
30669 2020-04-16 Chemical Shifts: 1 set
Spectral_peak_list: 1 set
NMR solution structure of triazole bridged matriptase inhibitor Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides Download bibtex for citation iamge Andrew White, Conan K Wang, David Craik, Gordon J King, Guojie Wu, Joakim E Swedberg, Kuok Yap, Peta Harvey, Ruby Law, Simon de Veer, Thomas Durek
30670 2020-04-16 Chemical Shifts: 1 set
Spectral_peak_list: 1 set
NMR solution structure of a triazole bridged KLK7 inhibitor Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides Download bibtex for citation iamge Andrew White, Conan K Wang, David Craik, Gordon J King, Guojie Wu, Joakim E Swedberg, Kuok Yap, Peta Harvey, Ruby Law, Simon de Veer, Thomas Durek
30654 2020-06-26 Chemical Shifts: 1 set
Spectral_peak_list: 1 set
NMR solution structure of triazole bridged SFTI-1 Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides Download bibtex for citation iamge Andrew White, Conan K Wang, David Craik, Gordon J King, Guojie Wu, Joakim E Swedberg, Kuok Yap, Peta Harvey, Ruby Law, Simon de Veer, Thomas Durek
27948 2019-09-25 Chemical Shifts: 1 set
Backbone 1H, 13C, and 15N Chemical Shift Assignments for ribosomal protein bL12 S89C and with LBT tag Probing the dynamic stalk region of the ribosome using solution NMR Download bibtex for citation iamge Alfonso de Simone, Christopher A Waudby, Christopher M Dobson, Daniel Haussinger, Helene MM Launay, John Christodoulou, John P Kirkpatrick, Lisa D Cabrita, Michele Vendruscolo, Xiaolin Wang
27944 2019-09-25 Chemical Shifts: 1 set
Backbone 1H, 13C, and 15N Chemical Shift Assignments for ribosomal protein bL12 S89C Probing the dynamic stalk region of the ribosome using solution NMR Download bibtex for citation iamge Alfonso de Simone, Christopher A Waudby, Christopher M Dobson, Daniel Haussinger, Helene MM Launay, John Christodoulou, John P Kirkpatrick, Lisa D Cabrita, Michele Vendruscolo, Xiaolin Wang
34358 2019-10-03 Chemical Shifts: 1 set
NMR solution structure of LSR2 binding domain. Protein kinase B controls Mycobacterium tuberculosis growth via phosphorylation of the transcriptional regulator Lsr2 at threonine 112 Download bibtex for citation iamge Adam A Witney, Andrew R Bottrill, Angelique De Visch, Christian Roumestand, Galina V Mukamolova, Heena Jagatia, Helen M O'Hare, Iona L Bartek, Kawther Alqaseer, Malgorzata Wegrzyn, Martin Cohen-Gonsaud, Martin I Voskuil, Obolbek Turapov, Paul Ajuh, Philippe Barthe, Simon J Waddell
34359 2019-10-03 Chemical Shifts: 1 set
NMR solution structure of LSR2-T112D binding domain. Protein kinase B controls Mycobacterium tuberculosis growth via phosphorylation of the transcriptional regulator Lsr2 at threonine 112 Download bibtex for citation iamge Adam A Witney, Andrew R Bottrill, Angelique De Visch, Christian Roumestand, Galina V Mukamolova, Heena Jagatia, Helen M O'Hare, Iona L Bartek, Kawther Alqaseer, Malgorzata Wegrzyn, Martin Cohen-Gonsaud, Martin I Voskuil, Obolbek Turapov, Paul Ajuh, Philippe Barthe, Simon J Waddell
27304 2019-09-09 Chemical Shifts: 1 set
Backbone 1H and 15N Chemical Shift Assignments for HOLO-BAMB5917 Structural basis for chain release from the enacyloxin polyketide synthase Download bibtex for citation iamge Angelo Gallo, Daniel Griffiths, Dean Rea, Emmanuel de Los Santos, Gregory L Challis, Joleen Masschelein, Jozef R Lewandowski, Lucio Manzi, Matthew Jenner, Neil J Oldham, Paulina K Sydor, Shanshan Zhou, Shiou-Chuan C Tsai, Simone Kosol, Timothy R Valentic, Vilmos Fulop
30311 2018-04-11 Chemical Shifts: 1 set
Solution structure of phage displayed derived peptide inhibitor of frizzled 7 receptor A selective peptide inhibitor of Frizzled 7 receptors disrupts intestinal stem cells Download bibtex for citation iamge Aaron H Nile, Christopher Koth, Emily B Gogol, Felipe de Sousa E Melo, Frederic J de Sauvage, Laszlo G Komuves, Lijuan Zhou, Rami N Hannoush, Robert Piskol, Simon Hansen, Stephane Angers, Susmith Mukund, Wayne J Fairbrother, Weiru Wang, Yingnan Zhang, Yue Fu, Yvonne Franke, Zora Modrusan
27139 2018-06-21 Chemical Shifts: 1 set
HypF-N native backbone assignment Backbone NMR assignments of HypF-N under conditions generating toxic and non-toxic oligomers Download bibtex for citation iamge Alfonso De Simone, Claudia Capitini, Fabrizio Chiti, Jayneil R Patel, Yingqi Xu
27137 2018-06-21 Chemical Shifts: 1 set
HypF-N backbone assignment in toxic oligomer solution condition Backbone NMR assignments of HypF-N under conditions generating toxic and non-toxic oligomers Download bibtex for citation iamge Alfonso De Simone, Claudia Capitini, Fabrizio Chiti, Jayneil R Patel, Yingqi Xu
27138 2018-06-21 Chemical Shifts: 1 set
HypF-N backbone assignment in non-toxic oligomer solution conditions Backbone NMR assignments of HypF-N under conditions generating toxic and non-toxic oligomers Download bibtex for citation iamge Alfonso De Simone, Claudia Capitini, Fabrizio Chiti, Jayneil R Patel, Yingqi Xu
34112 2017-06-30 Chemical Shifts: 1 set
Spectral_peak_list: 2 sets
Solution structure of ComGC from Streptococcus pneumoniae Structure of the competence pilus major pilin ComGC in Streptococcus pneumoniae. Download bibtex for citation iamge Birgitta Henriques-Normark, Casper de Lichtenberg, Kaare Teilum, Marie-Stephanie S Aschtgen, Peter Schmieder, Sandra Muschiol, Simon Erlendsson, Thomas Boesen, Umit Akbey, Vitor Oliveira
34085 2018-07-26 Chemical Shifts: 1 set
Bamb_5917 Acyl-Carrier Protein Structural basis for chain release from the enacyloxin polyketide synthase Download bibtex for citation iamge Angelo Gallo, Daniel Griffiths, Dean Rea, Emmanuel de Los Santos, Gregory L Challis, Joleen Masschelein, Jozef R Lewandowski, Lucio Manzi, Matthew Jenner, Neil J Oldham, Paulina K Sydor, Shanshan Zhou, Shiou-Chuan C Tsai, Simone Kosol, Timothy R Valentic, Vilmos Fulop
25744 2015-11-17 Chemical Shifts: 1 set
NMR structure and dynamics of the resuscitation promoting factor RpfC catalytic domain NMR Structure and Dynamics of the Resuscitation Promoting Factor RpfC Catalytic Domain Download bibtex for citation iamge Alessia Ruggiero, Alfonso De Simone, Carla Isernia, Gaetano Malgieri, Luigi Russo, Paolo Vincenzo Pedone, Rita Berisio, Vincenzo Maione
25700 2016-05-23 Chemical Shifts: 1 set
Solution Structure of R. palustris CsgH Electrostatically-guided inhibition of Curli amyloid nucleation by the CsgC-like family of chaperones Download bibtex for citation iamge Alfonso de Simone, Andres Escalera-Maurer, Benjamin Turner, Catherine Fletcher, Doryen Bubeck, Joanne Lo, Jonathan D Taylor, Lea Sefer, Marion Koch, Nicholas Darvill, Nicola Scull, Rosemary Wenman, Sebastian Lambert, Sergei G Kazarian, Steve J Matthews, Tuomas PJ Knowles, William J Hawthorne, Yinqi Xu
21057 2015-03-27 Chemical Shifts: 1 set
SFTI-TCTR N12 N14 Putting Proteases into Reverse Gear: the Role of Sequence and Conformation in Laskowski Mechanism Inhibition Download bibtex for citation iamge David J Craik, Joakim E Swedberg, Johan K Rosengren, Jonathan M Harris, Maria Rosengren, Muharrem Akcan, Simon J de Veer
21056 2015-03-27 Chemical Shifts: 1 set
SFTI-TCTR N12 N14 NMeSer6 Putting Proteases into Reverse Gear: the Role of Sequence and Conformation in Laskowski Mechanism Inhibition Download bibtex for citation iamge David J Craik, Joakim E Swedberg, Johan K Rosengren, Jonathan M Harris, Maria Brattsand, Muharrem Akcan, Simon J de Veer
19865 2014-06-30 Chemical Shifts: 1 set
LASSO PEPTIDE BASED INTEGRIN INHIBITOR: MICROCIN J25 VARIANT WITH RGDF SUBSTITUTION OF GLY12-ILE13-GLY14-THR15 Rational improvement of the affinity and selectivity of integrin binding of grafted lasso peptides. Download bibtex for citation iamge Ettore Novellino, Francesco Saverio S Di Leva, Horst Kessler, Julian D Hegemann, Luciana Marinelli, Marcel Zimmermann, Mariarosaria De Simone, Mohamed A Marahiel, Stefan Zahler, Thomas A Knappe, Xiulan Xie
19157 2013-05-14 Chemical Shifts: 1 set
ATOMIC-RESOLUTION STRUCTURE OF A CROSS-BETA QUADRUPLET AMYLOID FIBRIL DETERMINED BY SOLID-STATE MAGIC ANGLE SPINNING NMR AND CRYO-EM ATOMIC STRUCTURE AND HIERARCHICAL ASSEMBLY OF A CROSS-BETA AMYLOID FIBRIL. Download bibtex for citation iamge A De simone, Anthony William Fitzpatrick, C A Waudby, C E Macphee, C M Dobson, C P Jaroniec, D K Clare, E V Orlova, G T Debelouchina, H R Mott, H R Saibil, L Wang, M A Caporini, M J Bayro, M Vendruscolo, R G Griffin, S Muller, T PJ Knowles, V Ladizhansky, V S Bajaj
19058 2013-12-02 Chemical Shifts: 1 set
Atomic-resolution structure of a doublet cross-beta amyloid fibril Atomic structure and hierarchical assembly of a cross-beta amyloid fibril Download bibtex for citation iamge Alfonso de Simone, Anthony WP Fitzpatrick, Cait E MacPhee, Christopher A Waudby, Christopher M Dobson, Christopher P Jaroniec, Daniel K Clare, Elena V Orlova, Galia T Debelouchina, Helen R Mott, Helen R Saibil, Luchun Wang, Marc A Caporini, Marvin J Bayro, Michele Vendruscolo, Robert G Griffin, Shirley Muller, Tuomas PJ Knowles, Vikram S Bajaj, Vladimir Ladizhansky
19062 2013-09-04 Chemical Shifts: 1 set
Atomic-resolution structure of a cross-beta protofilament Atomic structure and hierarchical assembly of a cross- amyloid fibril. Download bibtex for citation iamge Alfonso De Simone, Anthony WP Fitzpatrick, Cait E MacPhee, Christopher A Waudby, Christopher M Dobson, Christopher P Jaroniec, Daniel K Clare, Elena V Orlova, Galia T Debelouchina, Helen R Mott, Helen R Saibil, Luchun Wang, Marc A Caporini, Marvin J Bayro, Michele Vendruscolo, Robert G Griffin, Shirley A Muller, Tuomas PJ Knowles, Vikram S Bajaj, Vladimir Ladizhansky
19060 2013-12-02 Chemical Shifts: 1 set
Atomic-resolution structure of a triplet cross-beta amyloid fibril Atomic structure and hierarchical assembly of a cross-beta amyloid fibril Download bibtex for citation iamge Alfonso de Simone, Anthony WP Fitzpatrick, Cait E MacPhee, Christopher A Waudby, Christopher M Dobson, Christopher P Jaroniec, Daniel K Clare, Elena V Orlova, Galia T Debelouchina, Helen R Mott, Helen R Saibil, Luchun Wang, Marc A Caporini, Marvin J Bayro, Michele Vendruscolo, Robert G Griffin, Shirley Muller, Tuomas PJ Knowles, Vikram S Bajaj, Vladimir Ladizhansky
18256 2013-02-11 Chemical Shifts: 1 set
R state structure of monomeric phospholamban (C36A, C41F, C46A) Structures of the excited states of phospholamban and shifts in their populations upon phosphorylation. Download bibtex for citation iamge Alfonso De Simone, Gianluigi Veglia, Lei Shi, Martin Gustavsson, Michele Vendruscolo, Rinaldo W Montalvao
17919 2012-07-16 Chemical Shifts: 1 set
Description of the structural fluctuations of proteins from structure-based calculations of residual dipolar couplings Determination of structural fluctuations of proteins from structure-based calculations of residual dipolar couplings. Download bibtex for citation iamge Alfonso De Simone, Michele Vendruscolo, Rinaldo W Montalvao
17505 2011-06-07 Chemical Shifts: 1 set
1H, 13C, and 15N Chemical Shift Assignments for human muscle Acylphosphatase (1)H, (13)C and (15)N resonance assignments of human muscle acylphosphatase. Download bibtex for citation iamge Alfonso De Simone, Christopher M Dobson, Fabrizio Chiti, Francesco Bemporad, Giuliana Fusco, Michele Vendruscolo, Shang-Te Danny Hsu
15130 2007-03-06 Chemical Shifts: 1 set
CA Chemical Shift Assignments for alpha-bungarotoxin (pH6.0) MMD and NMR studies of alpha-bungarotoxin surface accessibility Download bibtex for citation iamge Alfonso De Simone, Andrea Bernini, Filippo Prischi, Neri Niccolai, Ottavia Spiga, Vincenzo Venditti
6731 2007-01-29 Chemical Shifts: 1 set
Backbone 1H, 13C, and 15N Chemical Shift Assignments for BOFC The structure of BofC, an inter-compartmental signalling factor in sporulation in Bacillus Download bibtex for citation iamge Anthony J Wilkinson, Eiso Ab, Gert Folkers, Hayley M Patterson, James A Brannigan, Keith S Wilson, Rob de Jong, Rob Kaptein, Simon M Cutting, Tammo Diercks, Vincent Truffault