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Entry ID	Original Release date	Data summary	Entry Title	Citation Title	Authors
52013	2023-08-09	Chemical Shifts: 1 set	1H, 15N, 13C assignments of Clovibactin in DMSO	An antibiotic from an uncultured bacterium binds to an immutable target	Aaron J Peoples, Alexandre Bonvin, Amy L Spoering, Annika M Krueger, Anthony Nitti, Bram Vermeulen, Catherine Achorn, Christopher J Schwalen, Dallas Hughes, Eefjan Breukink, Fabian Grein, Francesca Lavore, Kay Nieselt, Kevin C Ludwig, Kim Lewis, Losee Lucy L Ling, Maik Derks, Marc Baldus, Markus Weingarth, Moreno Lelli, Raj Kumar, Rhythm Shukla, Rodrigo V Honorato, Sourav Maity, Stefania De Benedetti, Tanja Schneider, Theresa Harbig, Ulrich Kubitscheck, Wouter H Roos, Yangping Liu
51629	2023-06-23	Chemical Shifts: 1 set	Clovibactin unbound	An antibiotic from an uncultured bacterium binds to an immutable target	Aaron J Peoples, Alexandre Bonvin, Amy L Spoering, Annika M Krueger, Anthony Nitti, Bram Vermeulen, Catherine Achorn, Christopher J Schwalen, Dallas Hughes, Eefjan Breukink, Fabian Grein, Francesca Lavore, Kay Nieselt, Kevin C Ludwig, Kim Lewis, Losee Lucy L Ling, Maik Derks, Marc Baldus, Markus Weingarth, Moreno Lelli, Raj Kumar, Rhythm Shukla, Rodrigo V Honorato, Sourav Maity, Stefania De Benedetti, Tanja Schneider, Theresa Harbig, Ulrich Kubitscheck, Wouter H Roos, Yangping Liu
51630	2023-06-23	Chemical Shifts: 2 sets	Clovibactin-Lipid II bound state	An antibiotic from an uncultured bacterium binds to an immutable target	Aaron J Peoples, Alexandre Bonvin, Amy L Spoering, Annika M Krueger, Anthony Nitti, Bram Vermeulen, Catherine Achorn, Christopher J Schwalen, Dallas Hughes, Eefjan Breukink, Fabian Grein, Francesca Lavore, Kay Nieselt, Kevin C Ludwig, Kim Lewis, Losee Lucy L Ling, Maik Derks, Marc Baldus, Markus Weingarth, Moreno Lelli, Raj Kumar, Rhythm Shukla, Rodrigo V Honorato, Sourav Maity, Stefania De Benedetti, Tanja Schneider, Theresa Harbig, Ulrich Kubitscheck, Wouter H Roos, Yangping Liu
50938	2022-05-11	Chemical Shifts: 2 sets	Natural Teixobactin - Lipid II complex	Teixobactin kills bacteria by a two-pronged attack on the cell envelope	Aaron J Peoples, Adela Melcrova, Alexandre Bonvin, Amy L Spoering, Bram Vermeulen, Chelsea R Jones, Dallas E Hughes, Eefjan Breukink, Francesca Lavore, Harold D MacGillavry, James S Nowick, Joao Medeiros-Silva, Joseph H Lorent, Kim Lewis, Lea Marie M Becker, Losee L Ling, Maik Derks, Markus Weingarth, Michael A Morris, Moreno Lelli, Raj Kumar, Rhythm Shukla, Roy van Beekveld, Sourav Maity, Wouter H Roos, Xiaoqi Wang
50202	2020-06-08	Chemical Shifts: 2 sets	Mode of action of teixobactins in cellular conditions	Mode of action of teixobactins in cellular conditions	Alessandra Lucini Paioni, Alexandre Bonvin, Anish Parmar, Bram Vermeulen, Edwin Veldhuizen, Eefjan Breukink, Ishwar Singh, Joao Silva, Joseph Lorent, Marc Baldus, Markus Weingarth, Moreno Lelli, Rhythm Shukla, Sanjit Das, Shehrazade Jekhmane
25691	2016-03-14	Chemical Shifts: 1 set	The solution structure of the kallikrein inhibitor SPINK6	The solution structure of the kallikrein-related peptidases inhibitor SPINK6	Alexandre MJJ Bonvin, Bjorn Spudy, Frank D Sonnichsen, Jan Fischer, Joachim Groetzinger, Li Xue, Peter Goettig, Sascha Jung, Tim Kerkow, Ulf Meyer-Hoffert, Viktor Magdolen
25105	2022-05-12	Chemical Shifts: 1 set	BAZ2B bromodomain	Binding hotspots of BAZ2B bromodomain: Histone interaction revealed by solution NMR driven docking	Alessio Ciulli, Alexandre MJJ Bonvin, Chris Abell, David M Dias, Fleur M Ferguson, Hans Wienk, Joao PGLM Rodrigues, Rolf Boelens
19928	2016-01-11	Chemical Shifts: 1 set	Chemical shift assignments BamA-P4P5	Conformational Plasticity of the POTRA 5 Domain in the Outer Membrane Protein Assembly Factor BamA	Alexandre Bonvin, Klaartje Houben, Marc Baldus, Mark Daniels, Markus Weingarth, Rolf Boelens, Tessa Sinnige
18816	2013-01-07	Chemical Shifts: 1 set	Solution structure of the tenth complement type repeat of human megalin	Gentamicin binds to the megalin receptor as a competitive inhibitor using the common ligand binding motif of complement type repeats: insight from the nmr structure of the 10th complement type repeat domain alone and in complex with gentamicin.	Alexandre M J J Kragelund, Anders Bonvin, Charlotte Nykjaer, Robert Dagil
18184	2012-08-06	Chemical Shifts: 1 set	ShB peptide structure bound to negatively charged lipid-bilayer after Molecular Dynamics refinement	Supramolecular structure of membrane-associated polypeptides by combining solid-state NMR and molecular dynamics simulations.	Adrien SJ Melquiond, Alexandre M J J Bonvin, Christian Ader, Deepak Nand, Marc Baldus, Markus Weingarth, Olaf Pongs, Stefan Becker
17727	2012-06-21	Chemical Shifts: 1 set	3D ssNMR structure of membrane embedded KcsA-Kv1.3 channel (Closed state)	Importance of lipid-pore loop interface for potassium channel structure and function.	Abhishek Arun Cukkemane, Alexander Prokofyev, Alexandre M J J Bonvin, Deepak Nand, Eduardo Perozo, Elwin AW van der Cruijsen, Marc Baldus, Markus Weingarth, Olaf Pongs, Raymond E Hulse, Sonke Hornig, Stefan Becker
17744	2012-07-11	Chemical Shifts: 1 set	3D ssNMR structure of membrane embedded KcsA-Kv1.3 channel (Inactivated state)	Importance of lipid-pore loop interface for potassium channel structure and function.	Abhishek Arun Cukkemane, Alexander Prokofyev, Alexandre M J J Bonvin, Deepak Nand, Eduardo Perozo, Elwin AW van der Cruijsen, Marc Baldus, Markus Weingarth, Olaf Pongs, Raymond E Hulse, Sonke Hornig, Stefan Becker
17250	2012-07-25	Chemical Shifts: 1 set	GNA1946	1H, 13C and 15N assignment of the GNA1946 outer membrane lipoprotein from Neisseria meningitidis	Ainars Leonchiks, Alexandre Bonvin, Alexey Neumoin, Laurent Vuillard, Marco Soriani, M Pizza, Pierre Petit, Rolf Boelens
17055	2010-09-08	Binding_constants: 1 set	Binding Site Structure of One LRP-RAP Complex Implications for a Common Ligand-Receptor Binding Motif	Binding Site Structure of One LRP-RAP Complex: Implications for a Common Ligand-Receptor Binding Motif	Alexandre MJJ Bonvin, Birthe Kragelund, Charlotte O'Shea, Flemming M Poulsen, Gitte A Jensen, Hans C Thogersen, Ida Bjerrum-Bohr, Michael Etzerodt, Olav M Andersen
16739	2010-06-01	Chemical Shifts: 1 set	1H, 13C, and 15N Chemical Shift Assignments for plectasin	Plectasin, a Fungal Defensin, Targets the Bacterial Cell Wall Precursor Lipid II.	Alexandre MJJ Bonvin, Allan K Nielsen, Anders S Andersen, Andrea Jansen, Birthe Ravn, Dorotea S Raventos, Hans-Georg Sahl, Hans-Henrik Kristensen, Imke Wiedemann, Leonardo De Maria, Lora K Gammelgaard, Per H Mygind, Reinhard Wimmer, Sren Neve, Tanja Schneider, Thomas Kruse, Ulrike Pag, Vera Sass
16737	2011-05-20	Chemical Shifts: 1 set Heteronuclear NOE Values: 1 set T1 Relaxation Values: 1 set T2 Relaxation Values: 1 set	1H,13C and 15N chemical shift assignment for NMB1343 apoprotein	Structural and Biochemical Characterization of NarE, an Iron-containing ADP-ribosyltransferase from Neisseria meningitidis.	Alexandre M J J Bonvin, Christian Koehler, Daniele Veggi, Enrico Balducci, Federica Di Marcello, Ludovic Carlier, Marco Soriani, Mariagrazia Pizza, Mario Ferrer-Navarro, Rolf Boelens, Xavier Daura
16458	2010-03-08	Binding_constants: 1 set	NMR-based modeling and binding studies of a ternary complex between chicken liver bile acid binding protein and bile acids	NMR-based modeling and binding studies of a ternary complex between chicken liver bile acid binding protein and bile acids	Alexandre MJJ Bonvin, Henriette Molinari, Laura Ragona, Lucia Zetta, Michael Assfalg, Pasquale Ferranti, Renato Longhi, Simona Tomaselli
15739	2008-11-25	Chemical Shifts: 1 set Spectral_peak_list: 1 set	Hydramacin-1: Structure and antibacterial activity of a peptide from the basal metazoan Hydra	Hydramacin-1: Structure and antibacterial activity of a protein from the basal metazoan hydra	Alexandre M Bonvin, Andrew J Dingley, Christoph Gelhaus, Frederike Anton-Erxleben, Joachim Groetzinger, Malte U Hammer, Mareike Stanisak, Matthias Leippe, Rainer Podschun, Rene Augustin, Sascha Jung, Thomas C Bosch, Thomas Gutsmann
7354	2010-02-25	Chemical Shifts: 1 set	NMR STRUCTURE OF A PROTEIN-DNA COMPLEX OF AN ALTERED SPECIFICITY MUTANT OF THE LAC REPRESSOR THAT MIMICS THE GAL REPRESSOR	Altered specificity in DNA binding by the lac repressor: a mutant lac headpiece that mimics the gal repressor	Alexandre MJJ Bonvin, Devashish Das, Gert E Folkers, Robert Kaptein, Roberto Kopke Salinas, Rolf Boelens
6935	2006-08-07	Chemical Shifts: 1 set	Comparative NMR study on the impact of point mutations on protein stability of Pseudomonas mendocina lipase	Comparative NMR study on the impact of point mutations on protein stability of Pseudomonas mendocina lipase	Adrien Favier, Alexandre MJJ Bonvin, Ana I Azuaga, Grant Ganshaw, Nathalie Sibille, Nico AJ van Nuland, Rick Bott, Rolf Boelens
6832	2006-08-07	Chemical Shifts: 1 set	Comparative NMR study on the impact of point mutations on protein stability of Pseudomonas mendocina lipase	Comparative NMR study on the impact of point mutations on protein stability of Pseudomonas mendocina lipase	Adrien Favier, Alexandre MJJ Bonvin, Ana I Azuaga, Grant Ganshaw, Nathalie Sibille, Nico AJ van Nuland, Rick Bott, Rolf Boelens
6692	2007-02-05	Chemical Shifts: 1 set	1H, 13C, and 15N Chemical Shift Assignments for AppA 5-125	The Solution Structure of the AppA BLUF Domain: Insight into the Mechanism of Light-Induced Signaling	Alexandre MJJ Bonvin, Jeffrey S Grinstead, Klaas J Hellingwerf, Robert Kaptein, Rolf Boelens, Shang-Te D Hsu, Wouter Laan
6277	2005-02-21	Chemical Shifts: 1 set	NMR solution structure of the ubiquitin conjugating enzyme UbcH5B	Solution structure of the ubiquitin-conjugating enzyme UbcH5B	Alexandre MJJ Bonvin, Cyril Dominguez, Frederik MA van Schaik, Klaartje Houben, Marc HT Timmers, Rolf Boelens
6144	2004-10-13	Chemical Shifts: 1 set	The pyrophosphate cage: the structure of the nisin/lipid II complex provides a blueprint for novel antibiotics	The nisin-lipid II complex reveals a pyrophosphate cage that provides a blueprint for novel antibiotics	Alexandre M Bonvin, Ben de Kruijff, Eefjan Breukink, Eugene Tischenko, Mandy A Lutters, Nico A van Nuland, Robert Kaptein, Shang-Te D Hsu
6145	2004-10-15	Chemical Shifts: 1 set	The pyrophosphate cage: the structure of the nisin/lipid II complex provides a blueprint for novel antibiotics	The nisin-lipid II complex reveals a pyrophosphate cage that provides a blueprint for novel antibiotics.	Alexandre MJJ Bonvin, Ben de Kruijff, Eefjan Breukink, Eugene Tischenko, Mandy AG Lutters, Nico AJ van Nuland, Robert Kaptein, Shang-Te D Hsu
6146	Unknown	Chemical Shifts: 2 sets	The pyrophosphate cage: the structure of the nisin/lipid II complex provides a blueprint for novel antibiotics	The nisin-lipid II complex reveals a pyrophosphate cage that provides a blueprint for novel antibiotics	Alexandre M Bonvin, Ben de Kruijff, Eefjan Breukink, Eugene Tischenko, Mandy A Lutters, Nico A van Nuland, Robert Kaptein, Shang-Te D Hsu
6089	2005-05-26	Chemical Shifts: 1 set	1H Chemical Shift Assignments of non-specific Lipid Transfer Protein 1 Isolated from Seeds of Mung Bean	Soluting the molecular structure of mung bean lipid transfer protein 1	Alexandre MJJ Bonvin, C S Cheng, Dharmaraj Samuel, Ku-Feng Lin, Ping-Chiang Lyu, Shang-Te Hsu, Yu-Nan Liu
5961	2007-03-22	Chemical Shifts: 1 set	Binding site structure of one LRP/RAP complex - implications for a common ligand/receptor binding motif	Binding site structure of one LRP-RAP complex: implications for a common ligand-receptor binding motif	Alexandre MJJ Bonvin, Birthe B Kragelund, C O'Shea, Flemming M Poulsen, Gitte A Jensen, Hans C Thoegersen, Ida Bjerrum-Bohr, Michael Etzerodt, Olav M Andersen
5581	2008-07-17	Chemical Shifts: 1 set	NMR solution structure of type-B lantibiotics mersacidin in MeOH/H2O mixture	NMR Study of Mersacidin and Lipid II Interaction in Dodecylphosphocholine Micelles: Conformational Changes are a Key to Antimicrobial Activity	Alexandre MJJ Bonvin, Ben de Kruijff, Eefjan Breukink, Gabriele Bierbaum, Hans-Georg Sahl, Nico AJ van Nuland, Rob Kaptein, Shang-Te D Hsu
5582	2008-07-17	Chemical Shifts: 1 set	NMR solution structure of type-B lantibiotics mersacidin in DPC micelles	NMR Study of Mersacidin and Lipid II Interaction in Dodecylphosphocholine Micelles: Conformational Changes are a Key to Antimicrobial Activity	Alexandre MJJ Bonvin, Ben de Kruijff, Eefjan Breukink, Gabriele Bierbaum, Hans-Georg Sahl, Nico AJ van Nuland, Rob Kaptein, Shang-Te D Hsu
5580	2008-07-17	Chemical Shifts: 1 set	NMR solution structure of type-B lantibiotics mersacidin bound to lipid II in DPC micelles	NMR Study of Mersacidin and Lipid II Interaction in Dodecylphosphocholine Micelles: Conformational Changes are a Key to Antimicrobial Activity	Alexandre MJJ Bonvin, Ben de Kruijff, Eefjan Breukink, Gabriele Bierbaum, Hans-Georg Sahl, Nico AJ van Nuland, Rob Kaptein, Shang-Te D Hsu
5217	2003-01-14	Chemical Shifts: 1 set	Solution Structure and DNA Binding Properties of the C-Terminal Domain of UvrC from E. coli	Solution Structure and DNA-binding Properties of the C-Terminal Domain of UvrC from E. coli	Alexandre M Bonvin, Alidin Niztayev, Gert E Folkers, Rainer Wechselberger, Robert Kaptein, Rolf Boelens, Shanteri Singh
4974	2001-10-17	Chemical Shifts: 1 set	Rapid Protein fold Determination using Secondary Chemical Shifts and Cross- hydrogen bond 15N-13C' Scalar Couplings (3hbJNC')	Rapid Protein fold Determination using Secondary Chemical Shifts and Cross- hydrogen bond 15N-13C' Scalar Couplings (3hbJNC')	Alexandre MJJ Bonvin, Klaartje Houben, Marc Guenneugues, Robert Kaptein, Rolf Boelens
4767	2002-09-23	Chemical Shifts: 1 set	1Ha and 13Ca, 13Cb shifts of apocytochrome b562 at pH 5.1 (temperature 293 K)	The C terminus of apocytochrome b562 undergoes fast motions and slow exchange among ordered conformations resembling the folded state	Alexandre Bonvin, Michael Czisch, Nicola D'Amelio, Paul Barker, Rob Kaptein