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Page 1
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: ginn hm. Science. 2021 May 7;372(6542):642-646. doi: 10.1126/science.abf7945. Epub 2021 Apr 2. Science. 2021. PMID: 33811162 Free PMC article.
TakeTwo: an indexing algorithm suited to still images with known crystal parameters.
Ginn HM, Roedig P, Kuo A, Evans G, Sauter NK, Ernst OP, Meents A, Mueller-Werkmeister H, Miller RJ, Stuart DI. Ginn HM, et al. Acta Crystallogr D Struct Biol. 2016 Aug;72(Pt 8):956-65. doi: 10.1107/S2059798316010706. Epub 2016 Jul 28. Acta Crystallogr D Struct Biol. 2016. PMID: 27487826 Free PMC article.
High-speed fixed-target serial virus crystallography.
Roedig P, Ginn HM, Pakendorf T, Sutton G, Harlos K, Walter TS, Meyer J, Fischer P, Duman R, Vartiainen I, Reime B, Warmer M, Brewster AS, Young ID, Michels-Clark T, Sauter NK, Kotecha A, Kelly J, Rowlands DJ, Sikorsky M, Nelson S, Damiani DS, Alonso-Mori R, Ren J, Fry EE, David C, Stuart DI, Wagner A, Meents A. Roedig P, et al. Among authors: ginn hm. Nat Methods. 2017 Aug;14(8):805-810. doi: 10.1038/nmeth.4335. Epub 2017 Jun 19. Nat Methods. 2017. PMID: 28628129 Free PMC article.
Femtosecond X-ray coherent diffraction of aligned amyloid fibrils on low background graphene.
Seuring C, Ayyer K, Filippaki E, Barthelmess M, Longchamp JN, Ringler P, Pardini T, Wojtas DH, Coleman MA, Dörner K, Fuglerud S, Hammarin G, Habenstein B, Langkilde AE, Loquet A, Meents A, Riek R, Stahlberg H, Boutet S, Hunter MS, Koglin J, Liang M, Ginn HM, Millane RP, Frank M, Barty A, Chapman HN. Seuring C, et al. Among authors: ginn hm. Nat Commun. 2018 May 9;9(1):1836. doi: 10.1038/s41467-018-04116-9. Nat Commun. 2018. PMID: 29743480 Free PMC article.
Megahertz serial crystallography.
Wiedorn MO, Oberthür D, Bean R, Schubert R, Werner N, Abbey B, Aepfelbacher M, Adriano L, Allahgholi A, Al-Qudami N, Andreasson J, Aplin S, Awel S, Ayyer K, Bajt S, Barák I, Bari S, Bielecki J, Botha S, Boukhelef D, Brehm W, Brockhauser S, Cheviakov I, Coleman MA, Cruz-Mazo F, Danilevski C, Darmanin C, Doak RB, Domaracky M, Dörner K, Du Y, Fangohr H, Fleckenstein H, Frank M, Fromme P, Gañán-Calvo AM, Gevorkov Y, Giewekemeyer K, Ginn HM, Graafsma H, Graceffa R, Greiffenberg D, Gumprecht L, Göttlicher P, Hajdu J, Hauf S, Heymann M, Holmes S, Horke DA, Hunter MS, Imlau S, Kaukher A, Kim Y, Klyuev A, Knoška J, Kobe B, Kuhn M, Kupitz C, Küpper J, Lahey-Rudolph JM, Laurus T, Le Cong K, Letrun R, Xavier PL, Maia L, Maia FRNC, Mariani V, Messerschmidt M, Metz M, Mezza D, Michelat T, Mills G, Monteiro DCF, Morgan A, Mühlig K, Munke A, Münnich A, Nette J, Nugent KA, Nuguid T, Orville AM, Pandey S, Pena G, Villanueva-Perez P, Poehlsen J, Previtali G, Redecke L, Riekehr WM, Rohde H, Round A, Safenreiter T, Sarrou I, Sato T, Schmidt M, Schmitt B, Schönherr R, Schulz J, Sellberg JA, Seibert MM, Seuring C, Shelby ML, Shoeman RL, Sikorski M, Silenzi A, Stan CA, Shi X, Stern S, Sztuk-Dambie… See abstract for full author list ➔ Wiedorn MO, et al. Among authors: ginn hm. Nat Commun. 2018 Oct 2;9(1):4025. doi: 10.1038/s41467-018-06156-7. Nat Commun. 2018. PMID: 30279492 Free PMC article.
Segmented flow generator for serial crystallography at the European X-ray free electron laser.
Echelmeier A, Cruz Villarreal J, Messerschmidt M, Kim D, Coe JD, Thifault D, Botha S, Egatz-Gomez A, Gandhi S, Brehm G, Conrad CE, Hansen DT, Madsen C, Bajt S, Meza-Aguilar JD, Oberthür D, Wiedorn MO, Fleckenstein H, Mendez D, Knoška J, Martin-Garcia JM, Hu H, Lisova S, Allahgholi A, Gevorkov Y, Ayyer K, Aplin S, Ginn HM, Graafsma H, Morgan AJ, Greiffenberg D, Klujev A, Laurus T, Poehlsen J, Trunk U, Mezza D, Schmidt B, Kuhn M, Fromme R, Sztuk-Dambietz J, Raab N, Hauf S, Silenzi A, Michelat T, Xu C, Danilevski C, Parenti A, Mekinda L, Weinhausen B, Mills G, Vagovic P, Kim Y, Kirkwood H, Bean R, Bielecki J, Stern S, Giewekemeyer K, Round AR, Schulz J, Dörner K, Grant TD, Mariani V, Barty A, Mancuso AP, Weierstall U, Spence JCH, Chapman HN, Zatsepin N, Fromme P, Kirian RA, Ros A. Echelmeier A, et al. Among authors: ginn hm. Nat Commun. 2020 Sep 9;11(1):4511. doi: 10.1038/s41467-020-18156-7. Nat Commun. 2020. PMID: 32908128 Free PMC article.
Serial femtosecond and serial synchrotron crystallography can yield data of equivalent quality: A systematic comparison.
Mehrabi P, Bücker R, Bourenkov G, Ginn HM, von Stetten D, Müller-Werkmeister HM, Kuo A, Morizumi T, Eger BT, Ou WL, Oghbaey S, Sarracini A, Besaw JE, Pare-Labrosse O, Meier S, Schikora H, Tellkamp F, Marx A, Sherrell DA, Axford D, Owen RL, Ernst OP, Pai EF, Schulz EC, Miller RJD. Mehrabi P, et al. Among authors: ginn hm. Sci Adv. 2021 Mar 17;7(12):eabf1380. doi: 10.1126/sciadv.abf1380. Print 2021 Mar. Sci Adv. 2021. PMID: 33731353 Free PMC article.
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. Srinivasan V, et al. Commun Biol. 2022 Aug 11;5(1):805. doi: 10.1038/s42003-022-03737-7. Commun Biol. 2022. PMID: 35953531 Free PMC article.
Fixed target combined with spectral mapping: approaching 100% hit rates for serial crystallography.
Oghbaey S, Sarracini A, Ginn HM, Pare-Labrosse O, Kuo A, Marx A, Epp SW, Sherrell DA, Eger BT, Zhong Y, Loch R, Mariani V, Alonso-Mori R, Nelson S, Lemke HT, Owen RL, Pearson AR, Stuart DI, Ernst OP, Mueller-Werkmeister HM, Miller RJ. Oghbaey S, et al. Among authors: ginn hm. Acta Crystallogr D Struct Biol. 2016 Aug;72(Pt 8):944-55. doi: 10.1107/S2059798316010834. Epub 2016 Jul 27. Acta Crystallogr D Struct Biol. 2016. PMID: 27487825 Free PMC article.
44 results