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Items: 1 to 50 of 196

1.

Structural Insights on Fragment Binding Mode Conservation.

Drwal MN, Bret G, Perez C, Jacquemard C, Desaphy J, Kellenberger E.

J Med Chem. 2018 Jul 26;61(14):5963-5973. doi: 10.1021/acs.jmedchem.8b00256. Epub 2018 Jul 3.

PMID:
29906118
2.

CCR5 adopts three homodimeric conformations that control cell surface delivery.

Jin J, Momboisse F, Boncompain G, Koensgen F, Zhou Z, Cordeiro N, Arenzana-Seisdedos F, Perez F, Lagane B, Kellenberger E, Brelot A.

Sci Signal. 2018 May 8;11(529). pii: eaal2869. doi: 10.1126/scisignal.aal2869.

PMID:
29739880
3.

Structural Searching of Biosynthetic Enzymes to Predict Protein Targets of Natural Products.

Sturm N, Quinn RJ, Kellenberger E.

Planta Med. 2018 Mar;84(5):304-310. doi: 10.1055/s-0043-121992. Epub 2017 Nov 3.

PMID:
29100267
4.

Multi-target Fragments Display Versatile Binding Modes.

Drwal MN, Bret G, Kellenberger E.

Mol Inform. 2017 Oct;36(10). doi: 10.1002/minf.201700042. Epub 2017 Jul 10.

PMID:
28691374
5.

Efficient Inhibition of SmNACE by Coordination Complexes Is Abolished by S. mansoni Sequestration of Metal.

Muller-Steffner H, Jacques SA, Kuhn I, Schultz MD, Botta D, Osswald P, Maechling C, Lund FE, Kellenberger E.

ACS Chem Biol. 2017 Jul 21;12(7):1787-1795. doi: 10.1021/acschembio.7b00186. Epub 2017 May 17.

PMID:
28481502
6.

Do Fragments and Crystallization Additives Bind Similarly to Drug-like Ligands?

Drwal MN, Jacquemard C, Perez C, Desaphy J, Kellenberger E.

J Chem Inf Model. 2017 May 22;57(5):1197-1209. doi: 10.1021/acs.jcim.6b00769. Epub 2017 Apr 26.

PMID:
28414463
7.

Comparing atom-based with residue-based descriptors in predicting binding site similarity: do backbone atoms matter?

Sturm N, Rognan D, Quinn RJ, Kellenberger E.

Future Med Chem. 2016 Oct;8(15):1871-1885. Epub 2016 Sep 15.

PMID:
27629811
8.

A single-residue change in the HIV-1 V3 loop associated with maraviroc resistance impairs CCR5 binding affinity while increasing replicative capacity.

Garcia-Perez J, Staropoli I, Azoulay S, Heinrich JT, Cascajero A, Colin P, Lortat-Jacob H, Arenzana-Seisdedos F, Alcami J, Kellenberger E, Lagane B.

Retrovirology. 2015 Jun 18;12:50. doi: 10.1186/s12977-015-0177-1.

9.

Discovery of Potent Inhibitors of Schistosoma mansoni NAD⁺ Catabolizing Enzyme.

Jacques SA, Kuhn I, Koniev O, Schuber F, Lund FE, Wagner A, Muller-Steffner H, Kellenberger E.

J Med Chem. 2015 Apr 23;58(8):3582-92. doi: 10.1021/acs.jmedchem.5b00203. Epub 2015 Apr 1.

PMID:
25803425
10.

Similarity between Flavonoid Biosynthetic Enzymes and Flavonoid Protein Targets Captured by Three-Dimensional Computing Approach.

Sturm N, Quinn RJ, Kellenberger E.

Planta Med. 2015 Apr;81(6):467-73. doi: 10.1055/s-0035-1545697. Epub 2015 Feb 26.

PMID:
25719942
11.

sc-PDB: a 3D-database of ligandable binding sites--10 years on.

Desaphy J, Bret G, Rognan D, Kellenberger E.

Nucleic Acids Res. 2015 Jan;43(Database issue):D399-404. doi: 10.1093/nar/gku928. Epub 2014 Oct 9.

12.

Targeting the cis-dimerization of LINGO-1 with low MW compounds affects its downstream signalling.

Cobret L, De Tauzia ML, Ferent J, Traiffort E, Hénaoui I, Godin F, Kellenberger E, Rognan D, Pantel J, Bénédetti H, Morisset-Lopez S.

Br J Pharmacol. 2015 Feb;172(3):841-56. doi: 10.1111/bph.12945. Epub 2014 Dec 15.

13.

Probing the catalytic mechanism of bovine CD38/NAD+ glycohydrolase by site directed mutagenesis of key active site residues.

Kuhn I, Kellenberger E, Cakir-Kiefer C, Muller-Steffner H, Schuber F.

Biochim Biophys Acta. 2014 Jul;1844(7):1317-31. doi: 10.1016/j.bbapap.2014.03.014. Epub 2014 Apr 8.

PMID:
24721563
14.

Modeling the allosteric modulation of CCR5 function by Maraviroc.

Lagane B, Garcia-Perez J, Kellenberger E.

Drug Discov Today Technol. 2013 Summer;10(2):e297-305. doi: 10.1016/j.ddtec.2012.07.011. Review.

PMID:
24050281
15.

Schistosoma mansoni NAD(+) catabolizing enzyme: identification of key residues in catalysis.

Kuhn I, Kellenberger E, Schuber F, Muller-Steffner H.

Biochim Biophys Acta. 2013 Dec;1834(12):2520-7. doi: 10.1016/j.bbapap.2013.09.002. Epub 2013 Sep 12.

PMID:
24035885
16.

Exploration of the orthosteric/allosteric interface in human M1 muscarinic receptors by bitopic fluorescent ligands.

Daval SB, Kellenberger E, Bonnet D, Utard V, Galzi JL, Ilien B.

Mol Pharmacol. 2013 Jul;84(1):71-85. doi: 10.1124/mol.113.085670. Epub 2013 Apr 19.

17.

Selective fluorescent nonpeptidic antagonists for vasopressin V₂ GPCR: application to ligand screening and oligomerization assays.

Loison S, Cottet M, Orcel H, Adihou H, Rahmeh R, Lamarque L, Trinquet E, Kellenberger E, Hibert M, Durroux T, Mouillac B, Bonnet D.

J Med Chem. 2012 Oct 25;55(20):8588-602. doi: 10.1021/jm3006146. Epub 2012 Oct 5.

PMID:
22984902
18.

Structural insights into the molecular basis of the ligand promiscuity.

Sturm N, Desaphy J, Quinn RJ, Rognan D, Kellenberger E.

J Chem Inf Model. 2012 Sep 24;52(9):2410-21. Epub 2012 Sep 5.

PMID:
22920885
19.

Comparison and druggability prediction of protein-ligand binding sites from pharmacophore-annotated cavity shapes.

Desaphy J, Azdimousa K, Kellenberger E, Rognan D.

J Chem Inf Model. 2012 Aug 27;52(8):2287-99. doi: 10.1021/ci300184x. Epub 2012 Aug 16.

PMID:
22834646
20.

Insights into the mechanism of bovine CD38/NAD+glycohydrolase from the X-ray structures of its Michaelis complex and covalently-trapped intermediates.

Egea PF, Muller-Steffner H, Kuhn I, Cakir-Kiefer C, Oppenheimer NJ, Stroud RM, Kellenberger E, Schuber F.

PLoS One. 2012;7(4):e34918. doi: 10.1371/journal.pone.0034918. Epub 2012 Apr 18.

21.

Fluorescent derivatives of AC-42 to probe bitopic orthosteric/allosteric binding mechanisms on muscarinic M1 receptors.

Daval SB, Valant C, Bonnet D, Kellenberger E, Hibert M, Galzi JL, Ilien B.

J Med Chem. 2012 Mar 8;55(5):2125-43. doi: 10.1021/jm201348t. Epub 2012 Feb 27.

PMID:
22329602
22.

Similar interactions of natural products with biosynthetic enzymes and therapeutic targets could explain why nature produces such a large proportion of existing drugs.

Kellenberger E, Hofmann A, Quinn RJ.

Nat Prod Rep. 2011 Sep;28(9):1483-92. doi: 10.1039/c1np00026h. Epub 2011 Jul 22. Review. No abstract available.

PMID:
21779594
23.

Allosteric model of maraviroc binding to CC chemokine receptor 5 (CCR5).

Garcia-Perez J, Rueda P, Alcami J, Rognan D, Arenzana-Seisdedos F, Lagane B, Kellenberger E.

J Biol Chem. 2011 Sep 23;286(38):33409-21. doi: 10.1074/jbc.M111.279596. Epub 2011 Jul 20.

24.

Flavonoids as inhibitors of human CD38.

Kellenberger E, Kuhn I, Schuber F, Muller-Steffner H.

Bioorg Med Chem Lett. 2011 Jul 1;21(13):3939-42. doi: 10.1016/j.bmcl.2011.05.022. Epub 2011 May 14.

PMID:
21641214
25.

sc-PDB: a database for identifying variations and multiplicity of 'druggable' binding sites in proteins.

Meslamani J, Rognan D, Kellenberger E.

Bioinformatics. 2011 May 1;27(9):1324-6. doi: 10.1093/bioinformatics/btr120. Epub 2011 Mar 12.

PMID:
21398668
26.

New insights into the mechanisms whereby low molecular weight CCR5 ligands inhibit HIV-1 infection.

Garcia-Perez J, Rueda P, Staropoli I, Kellenberger E, Alcami J, Arenzana-Seisdedos F, Lagane B.

J Biol Chem. 2011 Feb 18;286(7):4978-90. doi: 10.1074/jbc.M110.168955. Epub 2010 Nov 30.

27.

Identification by high-throughput screening of inhibitors of Schistosoma mansoni NAD(+) catabolizing enzyme.

Kuhn I, Kellenberger E, Said-Hassane F, Villa P, Rognan D, Lobstein A, Haiech J, Hibert M, Schuber F, Muller-Steffner H.

Bioorg Med Chem. 2010 Nov 15;18(22):7900-10. doi: 10.1016/j.bmc.2010.09.041. Epub 2010 Sep 25.

PMID:
20951593
28.

Small neutralizing molecules to inhibit actions of the chemokine CXCL12.

Hachet-Haas M, Balabanian K, Rohmer F, Pons F, Franchet C, Lecat S, Chow KY, Dagher R, Gizzi P, Didier B, Lagane B, Kellenberger E, Bonnet D, Baleux F, Haiech J, Parmentier M, Frossard N, Arenzana-Seisdedos F, Hibert M, Galzi JL.

J Biol Chem. 2008 Aug 22;283(34):23189-99. doi: 10.1074/jbc.M803947200. Epub 2008 Jun 13.

29.

Ranking targets in structure-based virtual screening of three-dimensional protein libraries: methods and problems.

Kellenberger E, Foata N, Rognan D.

J Chem Inf Model. 2008 May;48(5):1014-25. doi: 10.1021/ci800023x. Epub 2008 Apr 16.

PMID:
18412328
30.

A simple and fuzzy method to align and compare druggable ligand-binding sites.

Schalon C, Surgand JS, Kellenberger E, Rognan D.

Proteins. 2008 Jun;71(4):1755-78. doi: 10.1002/prot.21858.

PMID:
18175308
31.

Identification of nonpeptide CCR5 receptor agonists by structure-based virtual screening.

Kellenberger E, Springael JY, Parmentier M, Hachet-Haas M, Galzi JL, Rognan D.

J Med Chem. 2007 Mar 22;50(6):1294-303. Epub 2007 Feb 21.

PMID:
17311371
32.

Redesign of Schistosoma mansoni NAD+ catabolizing enzyme: active site H103W mutation restores ADP-ribosyl cyclase activity.

Kuhn I, Kellenberger E, Rognan D, Lund FE, Muller-Steffner H, Schuber F.

Biochemistry. 2006 Oct 3;45(39):11867-78.

33.

sc-PDB: an annotated database of druggable binding sites from the Protein Data Bank.

Kellenberger E, Muller P, Schalon C, Bret G, Foata N, Rognan D.

J Chem Inf Model. 2006 Mar-Apr;46(2):717-27.

PMID:
16563002
34.

A chemogenomic analysis of the transmembrane binding cavity of human G-protein-coupled receptors.

Surgand JS, Rodrigo J, Kellenberger E, Rognan D.

Proteins. 2006 Feb 1;62(2):509-38.

PMID:
16294340
35.

Production of calcium-mobilizing metabolites by a novel member of the ADP-ribosyl cyclase family expressed in Schistosoma mansoni.

Goodrich SP, Muller-Steffner H, Osman A, Moutin MJ, Kusser K, Roberts A, Woodland DL, Randall TD, Kellenberger E, LoVerde PT, Schuber F, Lund FE.

Biochemistry. 2005 Aug 23;44(33):11082-97.

PMID:
16101292
36.

Dynamics and metal exchange properties of C4C4 RING domains from CNOT4 and the p44 subunit of TFIIH.

Houben K, Wasielewski E, Dominguez C, Kellenberger E, Atkinson RA, Timmers HT, Kieffer B, Boelens R.

J Mol Biol. 2005 Jun 10;349(3):621-37. Epub 2005 Apr 21.

PMID:
15890366
37.

Solution structure of the C-terminal domain of TFIIH P44 subunit reveals a novel type of C4C4 ring domain involved in protein-protein interactions.

Kellenberger E, Dominguez C, Fribourg S, Wasielewski E, Moras D, Poterszman A, Boelens R, Kieffer B.

J Biol Chem. 2005 May 27;280(21):20785-92. Epub 2005 Mar 24.

38.

Comparative evaluation of eight docking tools for docking and virtual screening accuracy.

Kellenberger E, Rodrigo J, Muller P, Rognan D.

Proteins. 2004 Nov 1;57(2):225-42.

PMID:
15340911
39.

Structure of the His44 --> Ala single point mutant of the distal finger motif of HIV-1 nucleocapsid protein: a combined NMR, molecular dynamics simulation, and fluorescence study.

Stote RH, Kellenberger E, Muller H, Bombarda E, Roques BP, Kieffer B, Mély Y.

Biochemistry. 2004 Jun 22;43(24):7687-97.

PMID:
15196011
40.

The evolution of molecular biology.

Kellenberger E.

EMBO Rep. 2004 Jun;5(6):546-9. Review. No abstract available.

41.

Recovering the true targets of specific ligands by virtual screening of the protein data bank.

Paul N, Kellenberger E, Bret G, Müller P, Rognan D.

Proteins. 2004 Mar 1;54(4):671-80.

PMID:
14997563
42.

Induced folding of the U2AF35 RRM upon binding to U2AF65.

Kellenberger E, Stier G, Sattler M.

FEBS Lett. 2002 Sep 25;528(1-3):171-6.

43.

Dual function for U2AF(35) in AG-dependent pre-mRNA splicing.

Guth S, Tange TØ, Kellenberger E, Valcárcel J.

Mol Cell Biol. 2001 Nov;21(22):7673-81.

44.

Exploring the unknown. The silent revolution of microbiology.

Kellenberger E.

EMBO Rep. 2001 Jan;2(1):5-7. No abstract available.

45.
46.

Structural characterization of the cysteine-rich domain of TFIIH p44 subunit.

Fribourg S, Kellenberger E, Rogniaux H, Poterszman A, Van Dorsselaer A, Thierry JC, Egly JM, Moras D, Kieffer B.

J Biol Chem. 2000 Oct 13;275(41):31963-71.

47.

Histones and histone-like DNA-binding proteins: correlations between structural differences, properties and functions.

Li JY, Arnold-Schulz-Gahmen B, Kellenberger E.

Microbiology. 1999 Jan;145 ( Pt 1):1-2. No abstract available.

PMID:
10206687
48.

Solution structure of a conformationally constrained Arg-Gly-Asp-like motif inserted into the alpha/beta scaffold of leiurotoxin I.

Kellenberger E, Mer G, Kellenberger C, Marguerie G, Lefèvre JF.

Eur J Biochem. 1999 Mar;260(3):810-7.

49.
50.

Alpha-helix mimicry of a beta-turn.

Mer G, Kellenberger E, Lefèvre JF.

J Mol Biol. 1998 Aug 14;281(2):235-40.

PMID:
9698544

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