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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, Schlünzen 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. Günther S, et al. Among authors: garcia alai mm. Science. 2021 May 7;372(6542):642-646. doi: 10.1126/science.abf7945. Epub 2021 Apr 2. Science. 2021. PMID: 33811162 Free PMC article.
Epsin and Sla2 form assemblies through phospholipid interfaces.
Garcia-Alai MM, Heidemann J, Skruzny M, Gieras A, Mertens HDT, Svergun DI, Kaksonen M, Uetrecht C, Meijers R. Garcia-Alai MM, et al. Nat Commun. 2018 Jan 23;9(1):328. doi: 10.1038/s41467-017-02443-x. Nat Commun. 2018. PMID: 29362354 Free PMC article.
Structure and stability of the Human respiratory syncytial virus M2-1 RNA-binding core domain reveals a compact and cooperative folding unit.
Molina IG, Josts I, Almeida Hernandez Y, Esperante S, Salgueiro M, Garcia Alai MM, de Prat-Gay G, Tidow H. Molina IG, et al. Among authors: garcia alai mm. Acta Crystallogr F Struct Biol Commun. 2018 Jan 1;74(Pt 1):23-30. doi: 10.1107/S2053230X17017381. Epub 2017 Dec 15. Acta Crystallogr F Struct Biol Commun. 2018. PMID: 29372904 Free PMC article.
High-throughput stability screening for detergent-solubilized membrane proteins.
Kotov V, Bartels K, Veith K, Josts I, Subhramanyam UKT, Günther C, Labahn J, Marlovits TC, Moraes I, Tidow H, Löw C, Garcia-Alai MM. Kotov V, et al. Among authors: garcia alai mm. Sci Rep. 2019 Jul 17;9(1):10379. doi: 10.1038/s41598-019-46686-8. Sci Rep. 2019. PMID: 31316088 Free PMC article.
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. Niebling S, et al. Sci Rep. 2021 May 5;11(1):9572. doi: 10.1038/s41598-021-88985-z. Sci Rep. 2021. PMID: 33953265 Free PMC article.
eSPC: an online data-analysis platform for molecular biophysics.
Burastero O, Niebling S, Defelipe LA, Günther C, Struve A, Garcia Alai MM. Burastero O, et al. Among authors: garcia alai mm. Acta Crystallogr D Struct Biol. 2021 Oct 1;77(Pt 10):1241-1250. doi: 10.1107/S2059798321008998. Epub 2021 Sep 24. Acta Crystallogr D Struct Biol. 2021. PMID: 34605428 Free PMC article.
41 results