SARS-CoV-2 Mpro oligomerization as a potential target for therapy.

Lis K, Plewka J, Menezes F, Bielecka E, Chykunova Y, Pustelny K, Niebling S, Garcia AS, Garcia-Alai M, Popowicz GM, Czarna A, Kantyka T, Pyrc K

International journal of biological macromolecules, 2024

doi:10.1016/j.ijbiomac.2024.131392.

Biophysical characterization of membrane proteins.

Niebling S, Burastero O, García-Alai M

Methods in molecular biology (Clifton, N.J.), 2023

doi:10.1007/978-1-0716-3147-8_12.

Structural deficits in key domains of Shank2 lead to alterations in postsynaptic nanoclusters and to a neurodevelopmental disorder in humans.

Hassani Nia F, Woike D, Bento I, Niebling S, Tibbe D, Schulz K, Hirnet D, Skiba M, Hönck HH, Veith K, Günther C, Scholz T, Bierhals T, Driemeyer J, Bend R, Failla AV, Lohr C, Alai MG, Kreienkamp HJ

Molecular psychiatry, 2022

doi:10.1038/s41380-022-01882-3.

Structure and diffusive dynamics of aspartate α-decarboxylase (ADC) liganded with D-serine in aqueous solution.

Raskar T, Niebling S, Devos JM, Yorke BA, Härtlein M, Huse N, Forsyth VT, Seydel T, Pearson AR

Physical chemistry chemical physics : PCCP, 2022

doi:10.1039/d2cp02063g.

Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.

Srinivasan V, Brognaro H, Prabhu PR, de Souza EE, Günther S, Reinke PYA, Lane TJ, Ginn H, Han H, Ewert W, Sprenger J, Koua FHM, Falke S, Werner N, Andaleeb H, Ullah N, Franca BA, Wang M, Barra ALC, Perbandt M, Schwinzer M, Schmidt C, Brings L, Lorenzen K, Schubert R, Machado RRG, Candido ED, Oliveira DBL, Durigon EL, Niebling S, Garcia AS, Yefanov O, Lieske J, Gelisio L, Domaracky M, Middendorf P, Groessler M, Trost F, Galchenkova M, Mashhour AR, Saouane S, Hakanpää J, Wolf M, Alai MG, Turk D, Pearson AR, Chapman HN, Hinrichs W, Wrenger C, Meents A, Betzel C

Communications biology, 2022

doi:10.1038/s42003-022-03737-7.

Biophysical screening pipeline for cryo-EM grid preparation of membrane proteins.

Niebling S, Veith K, Vollmer B, Lizarrondo J, Burastero O, Schiller J, Struve García A, Lewe P, Seuring C, Witt S, García-Alai M

Frontiers in molecular biosciences, 2022

doi:10.3389/fmolb.2022.882288.

Opening opportunities for Kd determination and screening of MHC peptide complexes.

Kopicki JD, Saikia A, Niebling S, Günther C, Anjanappa R, Garcia-Alai M, Springer S, Uetrecht C

Communications biology, 2022

doi:10.1038/s42003-022-03366-0.

Hydrazones and thiosemicarbazones targeting protein-protein-Interactions of SARS-CoV-2 papain-like protease.

Ewert W, Günther S, Miglioli F, Falke S, Reinke PYA, Niebling S, Günther C, Han H, Srinivasan V, Brognaro H, Lieske J, Lorenzen K, Garcia-Alai MM, Betzel C, Carcelli M, Hinrichs W, Rogolino D, Meents A

Frontiers in chemistry, 2022

doi:10.3389/fchem.2022.832431.

eSPC: an online data-analysis platform for molecular biophysics.

Burastero O, Niebling S, Defelipe LA, Günther C, Struve A, Garcia Alai MM

Acta crystallographica. Section D, Structural biology, 2021

doi:10.1107/S2059798321008998.

Deamidation drives molecular aging of the SARS-CoV-2 spike protein receptor-binding motif.

Lorenzo R, Defelipe LA, Aliperti L, Niebling S, Custódio TF, Löw C, Schwarz JJ, Remans K, Craig PO, Otero LH, Klinke S, García-Alai M, Sánchez IE, Alonso LG

The Journal of biological chemistry, 2021

doi:10.1016/j.jbc.2021.101175.

Structure of the endocytic adaptor complex reveals the basis for efficient membrane anchoring during clathrin-mediated endocytosis.

Lizarrondo J, Klebl DP, Niebling S, Abella M, Schroer MA, Mertens HDT, Veith K, Thuenauer R, Svergun DI, Skruzny M, Sobott F, Muench SP, Garcia-Alai MM

Nature communications, 2021

doi:10.1038/s41467-021-23151-7.

FoldAffinity: binding affinities from nDSF experiments.

Niebling S, Burastero O, Bürgi J, Günther C, Defelipe LA, Sander S, Gattkowski E, Anjanappa R, Wilmanns M, Springer S, Tidow H, García-Alai M

Scientific reports, 2021

doi:10.1038/s41598-021-88985-z.

Autism associated SHANK3 missense point mutations impact conformational fluctuations and protein turnover at synapses.

Bucher M, Niebling S, Han Y, Molodenskiy D, Nia FH, Kreienkamp HJ, Svergun D, Kim E, Kostyukova AS, Kreutz MR, Mikhaylova M

eLife, 2021

doi:10.7554/eLife.66165.

X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.

Günther S, Reinke PYA, Fernández-García Y, Lieske J, Lane TJ, Ginn HM, Koua FHM, Ehrt C, Ewert W, Oberthuer D, Yefanov O, Meier S, Lorenzen K, Krichel B, Kopicki JD, Gelisio L, Brehm W, Dunkel I, Seychell B, Gieseler H, Norton-Baker B, Escudero-Pérez B, Domaracky M, Saouane S, Tolstikova A, White TA, Hänle A, Groessler M, Fleckenstein H, Trost F, Galchenkova M, Gevorkov Y, Li C, Awel S, Peck A, Barthelmess M, Schluenzen F, Lourdu Xavier P, Werner N, Andaleeb H, Ullah N, Falke S, Srinivasan V, França BA, Schwinzer M, Brognaro H, Rogers C, Melo D, Zaitseva-Doyle JJ, Knoska J, Peña-Murillo GE, Mashhour AR, Hennicke V, Fischer P, Hakanpää J, Meyer J, Gribbon P, Ellinger B, Kuzikov M, Wolf M, Beccari AR, Bourenkov G, von Stetten D, Pompidor G, Bento I, Panneerselvam S, Karpics I, Schneider TR, Garcia-Alai MM, Niebling S, Günther C, Schmidt C, Schubert R, Han H, Boger J, Monteiro DCF, Zhang L, Sun X, Pletzer-Zelgert J, Wollenhaupt J, Feiler CG, Weiss MS, Schulz EC, Mehrabi P, Karničar K, Usenik A, Loboda J, Tidow H, Chari A, Hilgenfeld R, Uetrecht C, Cox R, Zaliani A, Beck T, Rarey M, Günther S, Turk D, Hinrichs W, Chapman HN, Pearson AR, Betzel C, Meents A

Science (New York, N.Y.), 2021

doi:10.1126/science.abf7945.

Observing the structural evolution in the photodissociation of diiodomethane with femtosecond solution X-Ray scattering.

Panman MR, Biasin E, Berntsson O, Hermann M, Niebling S, Hughes AJ, Kubel J, Atkovska K, Gustavsson E, Nimmrich A, Dohn AO, Laursen M, Zederkof DB, Honarfar A, Tono K, Katayama T, Owada S, van Driel TB, Kjaer K, Nielsen MM, Davidsson J, Uhlig J, Haldrup K, Hub JS, Westenhoff S

Physical Review Letters, 2020

doi:10.1103/PhysRevLett.125.226001.

Structural kinetics of MsbA investigated by stopped-flow time-resolved small-angle X-ray scattering.

Josts I, Gao Y, Monteiro DCF, Niebling S, Nitsche J, Veith K, Gräwert TW, Blanchet CE, Schroer MA, Huse N, Pearson AR, Svergun DI, Tidow H

Structure (London, England : 1993), 2019

doi:10.1016/j.str.2019.12.001.

X-ray crystallographic analysis of time-dependent binding of guanidine hydrochloride to HEWL: first steps during protein unfolding.

Raskar T, Koh CY, Niebling S, Kini R, Hosur M

International journal of biological macromolecules, 2019

doi:10.1016/j.ijbiomac.2018.11.023.

Photocage-initiated time-resolved solution X-ray scattering investigation of protein dimerization.

Josts I, Niebling S, Gao Y, Levantino M, Tidow H, Monteiro D

IUCrJ, 2018

doi:10.1107/S2052252518012149.

Molecular recognition of carboxylates in the protein leucine zipper by a multivalent supramolecular ligand: residue-specific, sensitive and label-free probing by UV resonance Raman spectroscopy.

Zakeri B, Niebling S, Martinéz AG, Sokkar P, Sanchez-Garcia E, Schmuck C, Schlücker S

Physical chemistry chemical physics : PCCP, 2018

doi:10.1039/c7cp04971d.

Sequential conformational transitions and α-helical supercoiling regulate a sensor histidine kinase.

Berntsson O, Diensthuber RP, Panman MR, Björling A, Gustavsson E, Hoernke M, Hughes AJ, Henry L, Niebling S, Takala H, Ihalainen JA, Newby G, Kerruth S, Heberle J, Liebi M, Henning R, Menzel A, Möglich A, Kosheleva I, Westenhoff S

Nature communications, 2017

doi:10.1038/s41467-017-00300-5.

Time-Resolved X-Ray Solution Scattering Reveals the Structural Photoactivation of a Light-Oxygen-Voltage Photoreceptor.

Berntsson O, Diensthuber RP, Panman MR, Björling A, Hughes AJ, Henry L, Niebling S, Newby G, Liebi M, Menzel A, Henning R, Kosheleva I, Möglich A, Westenhoff S

Structure (London, England : 1993), 2017

doi:10.1016/j.str.2017.04.006.

Assessing the Ability of Spectroscopic Methods to Determine the Difference in the Folding Propensities of Highly Similar β-Hairpins.

Andersson H, Danelius E, Jarvoll P, Niebling S, Hughes AJ, Westenhoff S, Brath U, Erdélyi M

ACS omega, 2017

doi:10.1021/acsomega.6b00484.

Structural photoactivation of a full-length bacterial phytochrome.

Björling A, Berntsson O, Lehtivuori H, Takala H, Hughes AJ, Panman M, Hoernke M, Niebling S, Henry L, Henning R, Kosheleva I, Chukharev V, Tkachenko NV, Menzel A, Newby G, Wulff M, Khakhulin D, Westenhoff S, Ihalainen JA

Science advances, 2016

doi:10.1126/sciadv.1600920.

Light-induced structural changes in a monomeric bacteriophytochrome.

Takala H, Niebling S, Berntsson O, Björling A, Lehtivuori H, Häkkänen H, Panman M, Gustavsson E, Hoernke M, Newby G, Zontone F, Wulff M, Menzel A, Ihalainen JA, Westenhoff S

Structural dynamics (Melville, N.Y.), 2016

doi:10.1063/1.4961911.

Efficient Isotope Editing of Proteins for Site-Directed Vibrational Spectroscopy.

Peuker S, Andersson H, Gustavsson E, Maiti KS, Kania R, Karim A, Niebling S, Pedersen A, Erdelyi M, Westenhoff S

Journal of the American Chemical Society, 2016

doi:10.1021/jacs.5b12680.

The impact of interchain hydrogen bonding on β-hairpin stability is readily predicted by molecular dynamics simulation.

Niebling S, Danelius E, Brath U, Westenhoff S, Erdélyi M

Biopolymers, 2015

doi:10.1002/bip.22671.

Ubiquitous Structural Signaling in Bacterial Phytochromes.

Björling A, Berntsson O, Takala H, Gallagher KD, Patel H, Gustavsson E, St Peter R, Duong P, Nugent A, Zhang F, Berntsen P, Appio R, Rajkovic I, Lehtivuori H, Panman MR, Niebling S, Hoernke M, Lamparter T, Harimoorthy R, Ihalainen JA, Stojković EA, Westenhoff S

The journal of physical chemistry letters, 2015

doi:10.1021/acs.jpclett.5b01629.

Deciphering solution scattering data with experimentally guided molecular dynamics simulations.

Björling A, Niebling S, Marcellini M, van der Spoel D, Westenhoff S

Journal of chemical theory and computation, 2015

doi:10.1021/ct5009735.

MARTINI bead form factors for the analysis of time-resolved X-ray scattering of proteins.

Niebling S, Björling A, Westenhoff S

Journal of applied crystallography, 2014

doi:10.1107/S1600576714009959.

Signal amplification and transduction in phytochrome photosensors.

Takala H, Björling A, Berntsson O, Lehtivuori H, Niebling S, Hoernke M, Kosheleva I, Henning R, Menzel A, Ihalainen JA, Westenhoff S

Nature, 2014

doi:10.1038/nature13310.

Force field-based conformational searches: efficiency and performance for peptide receptor complexes

Grebner C, Niebling S, Schmuck C, Schlücker S, Engels B

2013

doi:10.1080/00268976.2013.826392.

Unusual cold denaturation of a small protein domain.

Buchner GS, Shih N, Reece AE, Niebling S, Kubelka J

Biochemistry, 2012

doi:10.1021/bi300916v.

Quantitative label-free monitoring of peptide recognition by artificial receptors: a comparative FT-IR and UV resonance Raman spectroscopic study.

Niebling S, Kuchelmeister HY, Schmuck C, Schlücker S

2012

doi:10.1039/C2SC20811C.

Plasmonically active micron-sized beads for integrated solid-phase synthesis and label-free SERS analysis.

Gellner M, Niebling S, Kuchelmeister HY, Schmuck C, Schlücker S

Chemical communications (Cambridge, England), 2011

doi:10.1039/c1cc13562g.

Quantitative detection of C-deuterated drugs by CARS microscopy and Raman microspectroscopy.

Bergner G, Albert CR, Schiller M, Bringmann G, Schirmeister T, Dietzek B, Niebling S, Schlücker S, Popp J

The Analyst, 2011

doi:10.1039/c0an00956c.

Quantitative, label-free and site-specific monitoring of molecular recognition: a multivariate resonance Raman approach.

Niebling S, Kuchelmeister HY, Schmuck C, Schlücker S

Chemical communications (Cambridge, England), 2011

doi:10.1039/c0cc02052d.

Site-specific pKa determination of the carboxylate-binding subunit in artificial peptide receptors.

Niebling S, Srivastava SK, Herrmann C, Wich PR, Schmuck C, Schlücker S

Chemical communications (Cambridge, England), 2010

doi:10.1039/b926514g.

Characterization of guanidiniocarbonyl pyrroles in water by pH-dependent UV Raman spectroscopy and component analysis.

Srivastava SK, Niebling S, Küstner B, Wich PR, Schmuck C, Schlücker S

Physical chemistry chemical physics : PCCP, 2008

doi:10.1039/b810908g.