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Schneider Group

Tools for structure determination and analysis

Publications

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

33811162. doi:10.1126/science.abf7945.

MXCuBE2: the dawn of MXCuBE Collaboration.

Oscarsson M, Beteva A, Flot D, Gordon E, Guijarro M, Leonard G, McSweeney S, Monaco S, Mueller-Dieckmann C, Nanao M, Nurizzo D, Popov AN, von Stetten D, Svensson O, Rey-Bakaikoa V, Chavas LMG, Chado I, Gourhant P, Gadea L, Legrand P, Isabet T, Sirigu S, Savko M, Thompson A, Shepard W, Nan J, Mueller U, Bolmsten F, Eguiraun M, Milàn-Otero A, Nardella A, Kastner A, Schmuckermaier L, Thunnissen M, Hellmig M, Weiss MS, Gerlach M, Feiler C, Bowler MW, Gobbo A, Papp G, Sinoir J, McCarthy AA, Karpics I, Nikolova M, Bourenkov G, Schneider T, Boer R, Juanhuix J, Cuní G, Andreu J, Paciorek W, Flensburg C, Keller P, Fogh R, de Sanctis D, Bricogne G, Vonrhein C

Journal of synchrotron radiation 2019

30855248. doi:10.1107/S1600577519001267.

An NAD+ phosphorylase toxin triggers Mycobacterium tuberculosis cell death.

Freire DM, Gutierrez C, Garza-Garcia A, Grabowska AD, Sala AJ, Ariyachaokun K, Panikova T, Beckham KSH, Colom A, Pogenberg V, Cianci M, Tuukkanen A, Boudehen YM, Peixoto A, Botella L, Schnappinger D, Svergun DI, Schneider TR, Genevaux P, de Carvalho LPS, Wilmanns M, Parret AHA, Neyrolles O

Molecular cell 2019

30792174. doi:10.1016/j.molcel.2019.01.028.

SITCOM: a program for comparing sites in macromolecular substructures.

Dall'Antonia F, Schneider TR

JOURNAL OF APPLIED CRYSTALLOGRAPHY 2006

doi:10.1107/S0021889806014518.

HKL2MAP: a graphical user interface for macromolecular phasing with SHELX programs.

Pape T, Schneider TR

JOURNAL OF APPLIED CRYSTALLOGRAPHY 2004

doi:10.1107/S0021889804018047.

Stereoselective synthesis of the two trans-(16-hydroxymethyl)-3-methoxy-13 alpha-estra-1,3,5(10)-trien-17-ol isomers.

Mernyak E, Wolfling J, Bunkoczi G, Luo LF, Schneider TR, Schneider G

COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS 2003

doi:10.1135/cccc20031141.

Automatic solution of heavy-atom substructures.

Weeks CM, Adams PD, Berendzen J, Brunger AT, Dodson EJ, Grosse-Kunstleve RW, Schneider TR, Sheldrick GM, Terwilliger TC, Turkenburg MG, Usón I

Methods in enzymology 2003

14696368. doi:10.1016/s0076-6879(03)74003-8.

Stereoselective synthesis of some novel heterocyclic estrone derivatives by intramolecular 1,3-dipolar cycloaddition

Frank E, Wolfling J, Aukszi B, Konig V, Schneider TR, Schneider G

TETRAHEDRON 2002

doi:10.1016/S0040-4020(02)00741-X.

3-methoxy-1 '-phenyl-4 'beta,5-dihydro-1H-pyrazolo[4 ',3 ': 16,17]estra-1,3,5(10)-triene.

Konig V, Schneider TR, Frank E, Aukszi B, Schneider G, Wolfling J

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE 2002

doi:10.1107/S160053680201125X.

Titanium complexes containing bulky eta(2)-1,2,4-triazolato.

Mosch-Zanetti NC, Hewitt M, Schneider TR, Magull J

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY 2002

doi:10.1002/1099-0682(200205)2002:5<1181::AID-EJIC1181>3.0.CO;2-Q.

Silylhydrazines and dimeric N,N '-dilithium-N,N '-bis(silyl)hydrazides - Syntheses, reactions, isomerisations.

Gellermann E, Klingebiel U, Pape T, Antonia FD, Schneider TR, Schmatz S

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE 2001

doi:10.1002/1521-3749(200112)627:12<2581::AID-ZAAC2581>3.0.CO;2-1.

Analysis of differently regulated isoenzymes of the DAHP synthase of Saccharomyces cerevisiae.

Hartmann M, Pfeil A, Schneider TR, Braus GH

YEAST 2001

doi:.

Direct methods for macromolecules.

Sheldrick GM, Schneider TR

METHODS IN MACROMOLECULAR CRYSTALLOGRAPHY 2001

doi:.

Asymmetric tris- and cyclic silylhydroxylamines from trimeric and tetrameric lithium N,N-bis(silyl)hydroxylamides.

Diedrich F, Klingebiel U, Dall'Antonia F, Lehmann C, Noltemeyer M, Schneider TR

ORGANOMETALLICS 2000

doi:10.1021/om0006211.

A steroidal phenyldihydro-1,3-oxazine derivative.

Hewitt M, Schneider TR, Szemeredi Z, Hajnal A, Wolfling J, Schneider G

ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS 2000

doi:10.1107/S0108270100009628.

Titanium(III) compounds with eta(2)-pyrazolato ligands.

Mosch-Zanetti NC, Kratzner R, Lehmann C, Schneider TR, Uson I

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY 2000

doi:10.1002/(SICI)1099-0682(200001)2000:1<13::AID-EJIC13>3.0.CO;2-N.

Macromolecular cryocrystallography.

Garman EF, Schneider TR

JOURNAL OF APPLIED CRYSTALLOGRAPHY 1997

doi:10.1107/S0021889897002677.

Cryocrystallography of biological macromolecules.

Schneider TR

ACTA PHYSICA POLONICA A 1997

doi:10.12693/APhysPolA.91.739.

Refinement of 2-amino-6-(4-methyl-1-piperazinyl)-4-(tricyclo[3.3.1.1(3,7)]dec-1-yl)-1,3,5-triazine at three different temperatures using image-plate data.

Perrakis A, Schneider TR, AntoniadouVyzas E, Dauter Z, Hamodrakas SJ

JOURNAL OF APPLIED CRYSTALLOGRAPHY 1996

doi:10.1107/S0021889896000180.


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