Publications

PDB structures measured at X10SA


 

Recent publications are listed below. For an extensive overview we kindly refer you to our publication repository DORA

  • Angst D, Gessier F, Janser P, Vulpetti A, Wälchli R, Beerli C, et al.
    Discovery of LOU064 (remibrutinib), a potent and highly selective covalent inhibitor of Bruton's tyrosine kinase
    Journal of Medicinal Chemistry. 2020. https://doi.org/10.1021/acs.jmedchem.9b01916
    DORA PSI
  • Bokhovchuk F, Mesrouze Y, Delaunay C, Martin T, Villard F, Meyerhofer M, et al.
    Identification of FAM181A and FAM181B as new interactors with the TEAD transcription factors
    Protein Science. 2020; 29(2): 509-520. https://doi.org/10.1002/pro.3775
    DORA PSI
  • Farrants H, Tarnawski M, Müller TG, Otsuka S, Hiblot J, Koch B, et al.
    Chemogenetic control of nanobodies
    Nature Methods. 2020; 17(3): 279-282. https://doi.org/10.1038/s41592-020-0746-7
    DORA PSI
  • Favretto F, Baker JD, Strohäker T, Andreas LB, Blair LJ, Becker S, et al.
    The molecular basis of the interaction of cyclophilin A with α-synuclein
    Angewandte Chemie International Edition. 2020; 59(14): 5692-5695. https://doi.org/10.1002/anie.201914878
    DORA PSI
  • Gasser C, Delazer I, Neuner E, Pascher K, Brillet K, Klotz S, et al.
    Thioguanosine conversion enables mRNA-lifetime evaluation by RNA sequencing using double metabolic labeling (TUC-seq DUAL)
    Angewandte Chemie International Edition. 2020. https://doi.org/10.1002/anie.201916272
    DORA PSI
  • Haltenhof T, Kotte A, De Bortoli F, Schiefer S, Meinke S, Emmerichs A-K, et al.
    A conserved kinase-based body-temperature sensor globally controls alternative splicing and gene expression
    Molecular Cell. 2020; 78(1): 57-69.e4. https://doi.org/10.1016/j.molcel.2020.01.028
    DORA PSI
  • Huang C-Y, Olieric V, Caffrey M, Wang M
    In meso in situ serial X-Ray crystallography (IMISX): a protocol for membrane protein structure determination at the Swiss Light Source
    In: Perez C, Maier T, eds. Expression, purification, and structural biology of membrane proteins. Methods in molecular biology. New York: Humana; 2020. https://doi.org/10.1007/978-1-0716-0373-4_20
    DORA PSI
  • Huang G, Wagner T, Demmer U, Warkentin E, Ermler U, Shima S
    The hydride transfer process in NADP-dependent methylene-tetrahydromethanopterin dehydrogenase
    Journal of Molecular Biology. 2020. https://doi.org/10.1016/j.jmb.2020.01.042
    DORA PSI
  • Huwald D, Duda S, Gasper R, Olieric V, Hofmann E, Hemschemeier A
    Distinctive structural properties of THB11, a pentacoordinate Chlamydomonas reinhardtii truncated hemoglobin with N- and C-terminal extensions
    Journal of Biological Inorganic Chemistry. 2020; 25: 267-283. https://doi.org/10.1007/s00775-020-01759-2
    DORA PSI
  • Kalliokoski T, Rummakko P, Rantanen M, Blaesse M, Augustin M, Ummenthala GR, et al.
    Discovery of sulfonamides and 9-oxo-2,8-diazaspiro[5,5]undecane-2-carboxamides as human kynurenine aminotransferase 2 (KAT2) inhibitors
    Bioorganic and Medicinal Chemistry Letters. 2020; 30(8): 127060 (6 pp.). https://doi.org/10.1016/j.bmcl.2020.127060
    DORA PSI
  • Kawanami T, Karki RG, Cody E, Liu Q, Liang G, Ksander GM, et al.
    Structure-guided design of substituted biphenyl butanoic acid derivatives as neprilysin inhibitors
    ACS Medicinal Chemistry Letters. 2020; 11(2): 188-194. https://doi.org/10.1021/acsmedchemlett.9b00578
    DORA PSI
  • Metrick CM, Peterson EA, Santoro JC, Enyedy IJ, Murugan P, Chen TY, et al.
    Human PLD structures enable drug design and characterization of isoenzyme selectivity
    Nature Chemical Biology. 2020. https://doi.org/10.1038/s41589-019-0458-4
    DORA PSI
  • Rondelet A, Lin Y-C, Singh D, Porfetye AT, Thakur HC, Hecker A, et al.
    Clathrin's adaptor interaction sites are repurposed to stabilize microtubules during mitosis
    Journal of Cell Biology. 2020; 219(2): e201907083. https://doi.org/10.1083/jcb.201907083
    DORA PSI
  • Wiseman B, Högbom M
    Conformational changes in apolipoprotein N-acyltransferase (Lnt)
    Scientific Reports. 2020; 10(1): 639 (11 pp.). https://doi.org/10.1038/s41598-020-57419-7
    DORA PSI
  • Adlakha J, Karamichali I, Sangwallek J, Deiss S, Bär K, Coles M, et al.
    Characterization of MCU-binding proteins MCUR1 and CCDC90B — representatives of a protein family conserved in prokaryotes and eukaryotic organelles
    Structure. 2019; 27(3): 464-475.e6. https://doi.org/10.1016/j.str.2018.11.004
    DORA PSI
  • Afanasieva E, Chaudhuri I, Martin J, Hertle E, Ursinus A, Alva V, et al.
    Structural diversity of oligomeric β-propellers with different numbers of identical blades
    eLife. 2019; 8: e49853 (15 pp.). https://doi.org/10.7554/eLife.49853
    DORA PSI
  • Akram M, Dietl A, Mersdorf U, Prinz S, Maalcke W, Keltjens J, et al.
    A 192-heme electron transfer network in the hydrazine dehydrogenase complex
    Science Advances. 2019; 5(4): eaav4310 (7 pp.). https://doi.org/10.1126/sciadv.aav4310
    DORA PSI
  • Akram M, Reimann J, Dietl A, Menzel A, Versantvoort W, Kartal B, et al.
    A nitric oxide-binding heterodimeric cytochrome c complex from the anammox bacterium Kuenenia stuttgartiensis binds to hydrazine synthase
    Journal of Biological Chemistry. 2019; 294(45): 16712-16728. https://doi.org/10.1074/jbc.RA119.008788
    DORA PSI
  • Aksu M, Trakhanov S, Vera Rodriguez A, Görlich D
    Structural basis for the nuclear import and export functions of the biportin Pdr6/Kap122
    Journal of Cell Biology. 2019; 218(6): 1839-1852. https://doi.org/10.1083/jcb.201812093
    DORA PSI
  • Apel A-K, Cheng RKY, Tautermann CS, Brauchle M, Huang C-Y, Pautsch A, et al.
    Crystal structure of CC chemokine receptor 2A in complex with an orthosteric antagonist provides insights for the design of selective antagonists
    Structure. 2019; 27(3): 427-438.e5. https://doi.org/10.1016/j.str.2018.10.027
    DORA PSI
  • Bartolini D, Bührmann M, Barreca ML, Manfroni G, Cecchetti V, Rauh D, et al.
    Co-crystal structure determination and cellular evaluation of 1,4-dihydropyrazolo[4,3-c] [1,2] benzothiazine 5,5-dioxide p38α MAPK inhibitors
    Biochemical and Biophysical Research Communications. 2019; 511(3): 579-586. https://doi.org/10.1016/j.bbrc.2019.02.063
    DORA PSI
  • Basu S, Kaminski JW, Panepucci E, Huang C-Y, Warshamanage R, Wang M, et al.
    Automated data collection and real-time data analysis suite for serial synchrotron crystallography
    Journal of Synchrotron Radiation. 2019; 26(1): 244-252. https://doi.org/10.1107/S1600577518016570
    DORA PSI
  • Bokhovchuk F, Mesrouze Y, Izaac A, Meyerhofer M, Zimmermann C, Fontana P, et al.
    Molecular and structural characterization of a TEAD mutation at the origin of Sveinsson's chorioretinal atrophy
    FEBS Journal. 2019; 286(12): 2381-2398. https://doi.org/10.1111/febs.14817
    DORA PSI
  • Brünle S, Eisinger ML, Poppe J, Mills DJ, Langer JD, Vonck J, et al.
    Molybdate pumping into the molybdenum storage protein via an ATP-powered piercing mechanism
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2019; 116(52): 26497-26504. https://doi.org/10.1073/pnas.1913031116
    DORA PSI
  • Chaikuad A, Thangaratnarajah C, von Delft F, Bullock AN
    Structural consequences of BMPR2 kinase domain mutations causing pulmonary arterial hypertension
    Scientific Reports. 2019; 9(1): 18351 (10 pp.). https://doi.org/10.1038/s41598-019-54830-7
    DORA PSI
  • Chen Y, Cramer P
    Structure of the super-elongation complex subunit AFF4 C-terminal homology domain reveals requirements for AFF homo-and heterodimerization
    Journal of Biological Chemistry. 2019; 294(27): 10663-10673. https://doi.org/10.1074/jbc.RA119.008577
    DORA PSI
  • Cheng R, Huang C-Y, Hennig M, Nar H, Schnapp G
    In situ crystallography as an emerging method for structure solution of membrane proteins: the case of CCR2A
    FEBS Journal. 2019: (8 pp.). https://doi.org/10.1111/febs.15098
    DORA PSI
  • Claus C, Ferrara C, Xu W, Sam J, Lang S, Uhlenbrock F, et al.
    Tumor-targeted 4-1BB agonists for combination with T cell bispecific antibodies as off-the-shelf therapy
    Science Translational Medicine. 2019; 11(496): eaav5989 (12 pp.). https://doi.org/10.1126/scitranslmed.aav5989
    DORA PSI
  • Darowski D, Jost C, Stubenrauch K, Wessels U, Benz J, Ehler A, et al.
    P329G-CAR-J: a novel Jurkat-NFAT-based CAR-T reporter system recognizing the P329G Fc mutation
    Protein Engineering Design & Selection. 2019. https://doi.org/10.1093/protein/gzz027
    DORA PSI
  • Deshpande I, Keusch JJ, Challa K, Iesmantavicius V, Gasser SM, Gut H
    The Sir4 H-BRCT domain interacts with phospho-proteins to sequester and repress yeast heterochromatin
    EMBO Journal. 2019; 38(20): e101744 (18 pp.). https://doi.org/10.15252/embj.2019101744
    DORA PSI
  • Ebenhoch R, Akhdar A, Reboll MR, Korf-Klingebiel M, Gupta P, Armstrong J, et al.
    Crystal structure and receptor-interacting residues of MYDGF - a protein mediating ischemic tissue repair
    Nature Communications. 2019; 10(1): 5379 (10 pp.). https://doi.org/10.1038/s41467-019-13343-7
    DORA PSI
  • Engelhardt H, Böse D, Petronczki M, Scharn D, Bader G, Baum A, et al.
    Start selective and rigidify: the discovery path toward a next generation of EGFR tyrosine kinase inhibitors
    Journal of Medicinal Chemistry. 2019; 62(22): 10272-10293. https://doi.org/10.1021/acs.jmedchem.9b01169
    DORA PSI
  • Ernst P, Honegger A, van der Valk F, Ewald C, Mittl PRE, Plückthun A
    Rigid fusions of designed helical repeat binding proteins efficiently protect a binding surface from crystal contacts
    Scientific Reports. 2019; 9(1): 16162 (10 pp.). https://doi.org/10.1038/s41598-019-52121-9
    DORA PSI
  • Farnaby W, Koegl M, Roy MJ, Whitworth C, Diers E, Trainor N, et al.
    BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design
    Nature Chemical Biology. 2019; 15(7): 672-680. https://doi.org/10.1038/s41589-019-0294-6
    DORA PSI
  • Fournier J, Chen K, Mailyan AK, Jackson JJ, Buckman BO, Emayan K, et al.
    Total synthesis of covalent cysteine protease inhibitor N-desmethyl thalassospiramide C and crystallographic evidence for its mode of action
    Organic Letters. 2019; 21(2): 508-512. https://doi.org/10.1021/acs.orglett.8b03821
    DORA PSI
  • Friedel K, Popp MA, Matern JCJ, Gazdag EM, Thiel IV, Volkmann G, et al.
    A functional interplay between intein and extein sequences in protein splicing compensates for the essential block B histidine
    Chemical Science. 2019; 10(1): 239-251. https://doi.org/10.1039/C8SC01074A
    DORA PSI
  • Furet P, Salem B, Mesrouze Y, Schmelzle T, Lewis I, Kallen J, et al.
    Structure-based design of potent linear peptide inhibitors of the YAP-TEAD protein-protein interaction derived from the YAP omega-loop sequence
    Bioorganic and Medicinal Chemistry Letters. 2019; 29(16): 2316-2319. https://doi.org/10.1016/j.bmcl.2019.06.022
    DORA PSI
  • Greenidge PA, Blommers MJJ, Priestle JP, Hunziker J
    How to computationally stack the deck for hit-to-lead generation: in silico molecular interaction energy profiling for de novo siRNA guide strand surrogate selection
    Journal of Chemical Information and Modeling. 2019; 59(5): 1897-1908. https://doi.org/10.1021/acs.jcim.8b00892
    DORA PSI
  • He Q, Toh JD, Ero R, Qiao Z, Kumar V, Serra A, et al.
    The unusual di-domain structure of Dunaliella salina glycerol-3-phosphate dehydrogenase enables direct conversion of dihydroxyacetone phosphate to glycerol
    The Plant Journal. 2019. https://doi.org/10.1111/tpj.14619
    DORA PSI
  • Heim C, Pliatsika D, Mousavizadeh F, Bär K, Hernandez Alvarez B, Giannis A, et al.
    De-novo design of cereblon (CRBN) effectors guided by natural hydrolysis products of thalidomide derivatives
    Journal of Medicinal Chemistry. 2019; 62(14): 6615-6629. https://doi.org/10.1021/acs.jmedchem.9b00454
    DORA PSI
  • Hemmann JL, Wagner T, Shima S, Vorholt JA
    Methylofuran is a prosthetic group of the formyltransferase/hydrolase complex and shuttles one-carbon units between two active sites
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2019; 116(51): 25583-25590. https://doi.org/10.1073/pnas.1911595116
    DORA PSI
  • Himmelbauer MK, Xin Z, Jones JH, Enyedy I, King K, Marcotte DJ, et al.
    Rational design and optimization of a novel class of macrocyclic apoptosis signal-regulating kinase 1 inhibitors
    Journal of Medicinal Chemistry. 2019; 62(23): 10740-10756. https://doi.org/10.1021/acs.jmedchem.9b01206
    DORA PSI
  • Hoegenauer K, Kallen J, Jiménez-Núñez E, Strang R, Ertl P, Cooke NG, et al.
    Structure-based and property-driven optimization of N-aryl imidazoles toward potent and selective oral RORγt inhibitors
    Journal of Medicinal Chemistry. 2019; 62(23): 10816-10832. https://doi.org/10.1021/acs.jmedchem.9b01291
    DORA PSI
  • Jeganathan S, Wendt M, Kiehstaller S, Brancaccio D, Kuepper A, Pospiech N, et al.
    Constrained peptides with fine-tuned flexibility inhibit NF-Y transcription factor assembly
    Angewandte Chemie International Edition. 2019; 58(48): 17351-17358. https://doi.org/10.1002/anie.201907901
    DORA PSI
  • Kallen J, Izaac A, Chau S, Wirth E, Schoepfer J, Mah R, et al.
    Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes
    ChemMedChem. 2019; 14(14): 1305-1314. https://doi.org/10.1002/cmdc.201900201
    DORA PSI
  • Karki RG, Powers J, Mainolfi N, Anderson K, Belanger DB, Liu D, et al.
    Design, synthesis, and preclinical characterization of selective factor D inhibitors targeting the alternative complement pathway
    Journal of Medicinal Chemistry. 2019; 62(9): 4656-4668. https://doi.org/10.1021/acs.jmedchem.9b00271
    DORA PSI
  • Kawase T, Nakazawa T, Eguchi T, Tsuzuki H, Ueno Y, Amano Y, et al.
    Effect of Fms-like tyrosine kinase 3 (FLT3) ligand (FL) on antitumor activity of gilteritinib, a FLT3 inhibitor, in mice xenografted with FL-overexpressing cells
    Oncotarget. 2019; 10(58): 6111-6123. https://doi.org/10.18632/oncotarget.27222
    DORA PSI
  • Keskeny C, Raisch T, Sgromo A, Igreja C, Bhandari D, Weichenrieder O, et al.
    A conserved CAF40-binding motif in metazoan NOT4 mediates association with the CCR4-NOT complex
    Genes and Development. 2019; 33(3-4): 236-252. https://doi.org/10.1101/gad.320952.118
    DORA PSI
  • Koch AW, Schiering N, Melkko S, Ewert S, Salter J, Zhang Y, et al.
    MAA868, a novel FXI antibody with a unique binding mode, shows durable effects on markers of anticoagulation in humans
    Blood. 2019; 133(13): 1507-1516. https://doi.org/10.1182/blood-2018-10-880849
    DORA PSI
  • Koizumi Y, Tanaka Y, Matsumura T, Kadoh Y, Miyoshi H, Hongu M, et al.
    Discovery of a pyrazolo[1,5-α]pyrimidine derivative (MT-3014) as a highly selective PDE10A inhibitor via core structure transformation from the stilbene moiety
    Bioorganic and Medicinal Chemistry. 2019; 27(15): 3440-3450. https://doi.org/10.1016/j.bmc.2019.06.021
    DORA PSI
  • Kutin Y, Kositzki R, Branca RMM, Srinivas V, Lundin D, Haumann M, et al.
    Chemical flexibility of heterobimetallic Mn/Fe cofactors: R2lox and R2c proteins
    Journal of Biological Chemistry. 2019; 294(48): 18372-18386. https://doi.org/10.1074/jbc.RA119.010570
    DORA PSI
  • Laraia L, Friese A, Corkery DP, Konstantinidis G, Erwin N, Hofer W, et al.
    The cholesterol transfer protein GRAMD1A regulates autophagosome biogenesis
    Nature Chemical Biology. 2019; 15(7): 710-720. https://doi.org/10.1038/s41589-019-0307-5
    DORA PSI
  • Lategahn J, Keul M, Klövekorn P, Tumbrink HL, Niggenaber J, Müller MP, et al.
    Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S
    Chemical Science. 2019; 10(46): 10789-10801. https://doi.org/10.1039/c9sc03445e
    DORA PSI
  • McNally R, Li Q, Li K, Dekker C, Vangrevelinghe E, Jones M, et al.
    Discovery and structural characterization of ATP-site ligands for the wild-type and V617F mutant JAK2 pseudokinase domain
    ACS Chemical Biology. 2019; 14(4): 587-593. https://doi.org/10.1021/acschembio.8b00722
    DORA PSI
  • Miyake Y, Keusch JJ, Decamps L, Ho-Xuan H, Iketani S, Gut H, et al.
    Influenza virus uses transportin 1 for vRNP debundling during cell entry
    Nature Microbiology. 2019; 4(4): 578-586. https://doi.org/10.1038/s41564-018-0332-2
    DORA PSI
  • Muth M, Jänsch N, Kopranovic A, Krämer A, Wössner N, Jung M, et al.
    Covalent inhibition of histone deacetylase 8 by 3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine
    Biochimica et Biophysica Acta: General Subjects. 2019; 1863(3): 577-585. https://doi.org/10.1016/j.bbagen.2019.01.001
    DORA PSI
  • Nguyen D, Lemos C, Wortmann L, Eis K, Holton SJ, Boemer U, et al.
    Discovery and characterization of the potent and highly selective (piperidin-4-yl)pyrido[3,2-d]pyrimidine based in vitro probe BAY-885 for the kinase ERK5.
    Journal of Medicinal Chemistry. 2019; 62(2): 928-940. https://doi.org/10.1021/acs.jmedchem.8b01606
    DORA PSI
  • Peter D, Ruscica V, Bawankar P, Weber R, Helms S, Valkov E, et al.
    Molecular basis for GIGYF-Me31B complex assembly in 4EHP-mediated translational repression
    Genes and Development. 2019; 33(19-20): 1355-1360. https://doi.org/10.1101/gad.329219.119
    DORA PSI
  • Pulz R, Angst D, Dawson J, Gessier F, Gutmann S, Hersperger R, et al.
    Design of potent and selective covalent inhibitors of Bruton's tyrosine kinase targeting an inactive conformation
    ACS Medicinal Chemistry Letters. 2019; 10(10): 1467-1472. https://doi.org/10.1021/acsmedchemlett.9b00317
    DORA PSI
  • Quambusch L, Landel I, Depta L, Weisner J, Uhlenbrock N, Müller MP, et al.
    Covalent-allosteric inhibitors to achieve Akt isoform-selectivity
    Angewandte Chemie International Edition. 2019; 58(52): 18823-18829. https://doi.org/10.1002/anie.201909857
    DORA PSI
  • Quancard J, Klein T, Fung S-Y, Renatus M, Hughes N, Israël L, et al.
    An allosteric MALT1 inhibitor is a molecular corrector rescuing function in an immunodeficient patient
    Nature Chemical Biology. 2019; 15(3): 304-313. https://doi.org/10.1038/s41589-018-0222-1
    DORA PSI
  • Richter H, Satz AL, Bedoucha M, Buettelmann B, Petersen AC, Harmeier A, et al.
    DNA-encoded library-derived DDR1 inhibitor prevents fibrosis and renal function loss in a genetic mouse model of Alport syndrome
    ACS Chemical Biology. 2019; 14(1): 37-49. https://doi.org/10.1021/acschembio.8b00866
    DORA PSI
  • Ripin N, Boudet J, Duszczyk MM, Hinniger A, Faller M, Krepl M, et al.
    Molecular basis for AU-rich element recognition and dimerization by the HuR C-terminal RRM
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2019; 116(8): 2935-2944. https://doi.org/10.1073/pnas.1808696116
    DORA PSI
  • Roderer D, Schubert E, Sitsel O, Raunser S
    Towards the application of Tc toxins as a universal protein translocation system
    Nature Communications. 2019; 10(1): 5263 (11 pp.). https://doi.org/10.1038/s41467-019-13253-8
    DORA PSI
  • Röhrig UF, Reynaud A, Majjigapu SR, Vogel P, Pojer F, Zoete V
    Inhibition mechanisms of indoleamine 2,3-dioxygenase 1 (IDO1)
    Journal of Medicinal Chemistry. 2019; 62(19): 8784-8795. https://doi.org/10.1021/acs.jmedchem.9b00942
    DORA PSI
  • Sauer MM, Jakob RP, Luber T, Canonica F, Navarra G, Ernst B, et al.
    Binding of the bacterial adhesin FimH to its natural, multivalent high-mannose type glycan targets
    Journal of the American Chemical Society. 2019; 141(2): 936-944. https://doi.org/10.1021/jacs.8b10736
    DORA PSI
  • Schehr M, Ianes C, Weisner J, Heintze L, Müller MP, Pichlo C, et al.
    2-azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach
    Photochemical and Photobiological Sciences. 2019; 18(6): 1398-1407. https://doi.org/10.1039/c9pp00010k
    DORA PSI
  • Schubart A, Anderson K, Mainolfi N, Sellner H, Ehara T, Adams CM, et al.
    Small-molecule factor B inhibitor for the treatment of complement-mediated diseases
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2019; 116(16): 7926-7931. https://doi.org/10.1073/pnas.1820892116
    DORA PSI
  • Soh Y-M, Davidson IF, Zamuner S, Basquin J, Bock FP, Taschner M, et al.
    Self-organization of parS centromeres by the ParB CTP hydrolase
    Science. 2019; 366(6469): 1129-1133. https://doi.org/10.1126/science.aay3965
    DORA PSI
  • Sommerkamp JA, Frankenberg-Dinkel N, Hofmann E
    Crystal structure of the first eukaryotic bilin reductase GtPEBB reveals a flipped binding mode of dihydrobiliverdin
    Journal of Biological Chemistry. 2019; 294(38): 13889-13901. https://doi.org/10.1074/jbc.RA119.009306
    DORA PSI
  • Stauffer F, Weiss A, Scheufler C, Möbitz H, Ragot C, Beyer KS, et al.
    New potent DOT1L inhibitors for in vivo evaluation in mouse
    ACS Medicinal Chemistry Letters. 2019; 10(12): 1655-1660. https://doi.org/10.1021/acsmedchemlett.9b00452
    DORA PSI
  • Straw ML, Hough MA, Wilson MT, Worrall JAR
    A histidine residue and a tetranuclear cuprous-thiolate cluster dominate the copper loading landscape of a copper storage protein from Streptomyces lividans
    Chemistry: A European Journal. 2019; 25(45): 10678-10688. https://doi.org/10.1002/chem.201901411
    DORA PSI
  • Trigo-Mourino P, Thestrup T, Griesbeck O, Griesinger C, Becker S
    Dynamic tuning of FRET in a green fluorescent protein biosensor
    Science Advances. 2019; 5(8): eaaw4988 (8 pp.). https://doi.org/10.1126/sciadv.aaw4988
    DORA PSI
  • Uhlenbrock N, Smith S, Weisner J, Landel I, Lindemann M, Le TA, et al.
    Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt
    Chemical Science. 2019; 10(12): 3573-3585. https://doi.org/10.1039/c8sc05212c
    DORA PSI
  • Watanabe T, Wagner T, Huang G, Kahnt J, Ataka K, Ermler U, et al.
    The bacterial [Fe]-hydrogenase paralog HmdII uses tetrahydrofolate derivatives as substrates
    Angewandte Chemie International Edition. 2019; 58(11): 3506-3510. https://doi.org/10.1002/anie.201813465
    DORA PSI
  • Weisner J, Landel I, Reintjes C, Uhlenbrock N, Trajkovic-Arsic M, Dienstbier N, et al.
    Preclinical efficacy of covalent-allosteric AKT inhibitor borussertib in combination with trametinib in KRAS-mutant pancreatic and colorectal cancer
    Cancer Research. 2019; 79(9): 2367-2378. https://doi.org/10.1158/0008-5472.CAN-18-2861
    DORA PSI
  • Willistein M, Bechtel DF, Müller CS, Demmer U, Heimann L, Kayastha K, et al.
    Low potential enzymatic hydride transfer via highly cooperative and inversely functionalized flavin cofactors
    Nature Communications. 2019; 10(1): 2074 (10 pp.). https://doi.org/10.1038/s41467-019-10078-3
    DORA PSI
  • Wolle P, Engel J, Smith S, Goebel L, Hennes E, Lategahn J, et al.
    Characterization of covalent pyrazolopyrimidine-MKK7 complexes and a report on a unique DFG-in/Leu-in conformation of mitogen-activated protein kinase kinase 7 (MKK7)
    Journal of Medicinal Chemistry. 2019; 62(11): 5541-5546. https://doi.org/10.1021/acs.jmedchem.9b00472
    DORA PSI
  • Wolle P, Hardick J, Cronin SJF, Engel J, Baumann M, Lategahn J, et al.
    Targeting the MKK7-JNK (mitogen-activated protein kinase kinase 7-c-Jun N-terminal kinase) pathway with covalent inhibitors
    Journal of Medicinal Chemistry. 2019; 62(5): 2843-2848. https://doi.org/10.1021/acs.jmedchem.9b00102
    DORA PSI
  • Zakrzewska S, Mehdipour AR, Malviya VN, Nonaka T, Koepke J, Muenke C, et al.
    Inward-facing conformation of a multidrug resistance MATE family transporter
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2019; 116(25): 12275-12284. https://doi.org/10.1073/pnas.1904210116
    DORA PSI
  • Żyła DS, Prota AE, Capitani G, Glockshuber R
    Alternative folding to a monomer or homopolymer is a common feature of the type 1 pilus subunit FimA from enteroinvasive bacteria
    Journal of Biological Chemistry. 2019; 294(27): 10553-10563. https://doi.org/10.1074/jbc.RA119.008610
    DORA PSI
  • Aichem A, Anders S, Catone N, Rößler P, Stotz S, Berg A, et al.
    The structure of the ubiquitin-like modifier FAT10 reveals an alternative targeting mechanism for proteasomal degradation
    Nature Communications. 2018; 9(1): 3321 (14 pp.). https://doi.org/10.1038/s41467-018-05776-3
    DORA PSI
  • Ali I, Eu S, Koch D, Bleimling N, Goody RS, Müller MP
    Structure of the tandem PX-PH domains of Bem3 from Saccharomyces cerevisiae
    Acta Crystallographica Section F: Structural Biology and Crystallization Communications. 2018; 74(5): 315-321. https://doi.org/10.1107/S2053230X18005915
    DORA PSI
  • Andrei SA, Meijer FA, Neves JF, Brunsveld L, Landrieu I, Ottmann C, et al.
    Inhibition of 14-3-3/Tau by hybrid small-molecule peptides operating via two different binding modes
    ACS Chemical Neuroscience. 2018; 9(11): 2639-2654. https://doi.org/10.1021/acschemneuro.8b00118
    DORA PSI
  • Boichenko I, Bär K, Deiss S, Heim C, Albrecht R, Lupas AN, et al.
    Chemical ligand space of cereblon
    ACS Omega. 2018; 3(9): 11163-11171. https://doi.org/10.1021/acsomega.8b00959
    DORA PSI
  • Born D, Reuter L, Mersdorf U, Mueller M, Fischer MG, Meinhart A, et al.
    Capsid protein structure, self-assembly, and processing reveal morphogenesis of the marine virophage mavirus
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2018; 115(28): 7332-7337. https://doi.org/10.1073/pnas.1805376115
    DORA PSI
  • Boubia B, Poupardin O, Barth M, Binet J, Peralba P, Mounier L, et al.
    Design, synthesis, and evaluation of a novel series of indole sulfonamide peroxisome proliferator activated receptor (PPAR) α/γ/δ triple activators: discovery of lanifibranor, a new antifibrotic clinical candidate
    Journal of Medicinal Chemistry. 2018; 61(6): 2246-2265. https://doi.org/10.1021/acs.jmedchem.7b01285
    DORA PSI
  • Brieke C, Tarnawski M, Greule A, Cryle MJ
    Investigating Cytochrome P450 specificity during glycopeptide antibiotic biosynthesis through a homologue hybridization approach
    Journal of Inorganic Biochemistry. 2018; 185: 43-51. https://doi.org/10.1016/j.jinorgbio.2018.05.001
    DORA PSI
  • Brünle S, Poppe J, Hail R, Demmer U, Ermler U
    The molybdenum storage protein - a bionanolab for creating experimentally alterable polyoxomolybdate clusters
    Journal of Inorganic Biochemistry. 2018; 189: 172-179. https://doi.org/10.1016/j.jinorgbio.2018.09.011
    DORA PSI
  • Carcache D, Vulpetti A, Kallen J, Mattes H, Orain D, Stringer R, et al.
    Optimizing a weakly binding fragment into a potent RORγt inverse agonist with efficacy in an in vivo inflammation model
    Journal of Medicinal Chemistry. 2018; 61(15): 6724-6735. https://doi.org/10.1021/acs.jmedchem.8b00529
    DORA PSI
  • Cretu C, Agrawal AA, Cook A, Will CL, Fekkes P, Smith PG, et al.
    Structural basis of splicing modulation by antitumor macrolide compounds
    Molecular Cell. 2018; 70(2): 265-273. https://doi.org/10.1016/j.molcel.2018.03.011
    DORA PSI
  • Debela M, Magdolen V, Skala W, Elsässer B, Schneider EL, Craik CS, et al.
    Structural determinants of specificity and regulation of activity in the allosteric loop network of human KLK8/neuropsin
    Scientific Reports. 2018; 8(1): 10705 (15 pp.). https://doi.org/10.1038/s41598-018-29058-6
    DORA PSI
  • Demmer JK, Bertsch J, Öppinger C, Wohlers H, Kayastha K, Demmer U, et al.
    Molecular basis of the flavin-based electron-bifurcating caffeyl-CoA reductase reaction
    FEBS Letters. 2018; 592(3): 332-342. https://doi.org/10.1002/1873-3468.12971
    DORA PSI
  • Duan J, Senger M, Esselborn J, Engelbrecht V, Wittkamp F, Apfel U-P, et al.
    Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases
    Nature Communications. 2018; 9(1): 4726 (11 pp.). https://doi.org/10.1038/s41467-018-07140-x
    DORA PSI
  • ElGamacy M, Coles M, Ernst P, Zhu H, Hartmann MD, Plückthun A, et al.
    An interface-driven design strategy yields a novel, corrugated protein architecture
    ACS Synthetic Biology. 2018; 7(9): 2226-2235. https://doi.org/10.1021/acssynbio.8b00224
    DORA PSI
  • Evers A, Bossart M, Pfeiffer-Marek S, Elvert R, Schreuder H, Kurz M, et al.
    Dual glucagon-like peptide 1 (GLP-1)/glucagon receptor agonists specifically optimized for multidose formulations
    Journal of Medicinal Chemistry. 2018; 61(13): 5580-5593. https://doi.org/10.1021/acs.jmedchem.8b00292
    DORA PSI
  • Frey S, Rees R, Schünemann J, Ng SC, Fünfgeld K, Huyton T, et al.
    Surface properties determining passage rates of proteins through nuclear pores
    Cell. 2018; 174(1): 202-217.e9. https://doi.org/10.1016/j.cell.2018.05.045
    DORA PSI
  • Fuchs ACD, Maldoner L, Wojtynek M, Hartmann MD, Martin J
    Rpn11-mediated ubiquitin processing in an ancestral archaeal ubiquitination system
    Nature Communications. 2018; 9(1): 2696 (12 pp.). https://doi.org/10.1038/s41467-018-05198-1
    DORA PSI
  • Fuchs ACD, Maldoner L, Hipp K, Hartmann MD, Martin J
    Structural characterization of the bacterial proteasome homolog BPH reveals a tetradecameric double-ring complex with unique inner cavity properties
    Journal of Biological Chemistry. 2018; 293(3): 920-930. https://doi.org/10.1074/jbc.M117.815258
    DORA PSI
  • Gatsogiannis C, Merino F, Roderer D, Balchin D, Schubert E, Kuhlee A, et al.
    Tc toxin activation requires unfolding and refolding of a β-propeller
    Nature. 2018; 563(7730): 209-213. https://doi.org/10.1038/s41586-018-0556-6
    DORA PSI
  • Giroud M, Dietzel U, Anselm L, Banner D, Kuglstatter A, Benz J, et al.
    Repurposing a library of human cathepsin L ligands: identification of macrocyclic lactams as potent rhodesain and trypanosoma brucei inhibitors
    Journal of Medicinal Chemistry. 2018; 61(8): 3350-3369. https://doi.org/10.1021/acs.jmedchem.7b01869
    DORA PSI
  • Grüner S, Weber R, Peter D, Chung M-Y, Igreja C, Valkov E, et al.
    Structural motifs in eIF4G and 4E-BPs modulate their binding to eIF4E to regulate translation initiation in yeast
    Nucleic Acids Research. 2018; 46(13): 6893-6908. https://doi.org/10.1093/nar/gky542
    DORA PSI
  • Gudim I, Hammerstad M, Lofstad M, Hersleth H-P
    The characterization of different flavodoxin reductase-flavodoxin (FNR-Fld) interactions reveals an efficient FNR-Fld redox pair and identifies a novel FNR subclass
    Biochemistry. 2018; 57(37): 5427-5436. https://doi.org/10.1021/acs.biochem.8b00674
    DORA PSI
  • Haeussler K, Fritz-Wolf K, Reichmann M, Rahlfs S, Becker K
    Characterization of Plasmodium falciparum 6-phosphogluconate dehydrogenase as an antimalarial drug target
    Journal of Molecular Biology. 2018; 430(21): 4049-4067. https://doi.org/10.1016/j.jmb.2018.07.030
    DORA PSI
  • Hansen S, Ernst P, König SLB, Reichen C, Ewald C, Nettels D, et al.
    Curvature of designed armadillo repeat proteins allows modular peptide binding
    Journal of Structural Biology. 2018; 201(2): 108-117. https://doi.org/10.1016/j.jsb.2017.08.009
    DORA PSI
  • Hohmann U, Santiago J, Nicolet J, Olsson V, Spiga FM, Hothorn LA, et al.
    Mechanistic basis for the activation of plant membrane receptor kinases by SERK-family coreceptors
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2018; 115(13): 3488-3493. https://doi.org/10.1073/pnas.1714972115
    DORA PSI
  • Horrell S, Kekilli D, Sen K, Owen RL, Dworkowski FSN, Antonyuk SV, et al.
    Enzyme catalysis captured using multiple structures from one crystal at varying temperatures
    IUCrJ. 2018; 5(3): 283-292. https://doi.org/10.1107/S205225251800386X
    DORA PSI
  • Huang G, Wagner T, Ermler U, Eckhard B, Ataka K, Shima S
    Dioxygen sensitivity of [Fe]-hydrogenase in the presence of reducing substrates
    Angewandte Chemie International Edition. 2018; 57(18): 4917-4920. https://doi.org/10.1002/anie.201712293
    DORA PSI
  • Jahn B, Pol A, Lumpe H, Barends TRM, Dietl A, Hogendoorn C, et al.
    Similar but not the same: first kinetic and structural analyses of a methanol dehydrogenase containing a europium ion in the active site
    ChemBioChem. 2018; 19(11): 1147-1153. https://doi.org/10.1002/cbic.v19.11
    DORA PSI
  • Jeay, Ferretti S, Holzer P, Fuchs J, Chapeau EA, Wartmann M, et al.
    Dose and schedule determine distinct molecular mechanisms underlying the efficacy of the p53-MDM2 inhibitor HDM201
    Cancer Research. 2018; 78(21): 6257-6267. https://doi.org/10.1158/0008-5472.CAN-18-0338
    DORA PSI
  • Kallen J, Bergsdorf C, Arnaud B, Bernhard M, Brichet M, Cobos-Correa A, et al.
    X-ray structures and feasibility assessment of CLK2 inhibitors for Phelan-McDermid syndrome
    ChemMedChem. 2018; 13(18): 1997-2007. https://doi.org/10.1002/cmdc.201800344
    DORA PSI
  • Khazina E, Weichenrieder O
    Human LINE-1 retrotransposition requires a metastable coiled coil and a positively charged N-terminus in L1ORF1p
    eLife. 2018; 7: e34960 (29 pp.). https://doi.org/10.7554/eLife.34960
    DORA PSI
  • Kreamer NNK, Chopra R, Caughlan RE, Fabbro D, Fang E, Gee P, et al.
    Acylated-acyl carrier protein stabilizes the Pseudomonas aeruginosa WaaP lipopolysaccharide heptose kinase
    Scientific Reports. 2018; 8(1): 14124 (12 pp.). https://doi.org/10.1038/s41598-018-32379-1
    DORA PSI
  • Kumari P, Aeschimann F, Gaidatzis D, Keusch JJ, Ghosh P, Neagu A, et al.
    Evolutionary plasticity of the NHL domain underlies distinct solutions to RNA recognition
    Nature Communications. 2018; 9(1): 1549 (15 pp.). https://doi.org/10.1038/s41467-018-03920-7
    DORA PSI
  • Lazzaretti D, Bandholz-Cajamarca L, Emmerich C, Schaaf K, Basquin C, Irion U, et al.
    The crystal structure of Staufen1 in complex with a physiological RNA sheds light on substrate selectivity
    Life Science Alliance. 2018; 1(5): e201800187 (15 pp.). https://doi.org/10.26508/lsa.201800187
    DORA PSI
  • Lebugle M, Dworkowski F, Pauluhn A, Guzenko VA, Romano L, Meier N, et al.
    High-intensity x-ray microbeam for macromolecular crystallography using silicon kinoform diffractive lenses
    Applied Optics. 2018; 57(30): 9032-9039. https://doi.org/10.1364/AO.57.009032
    DORA PSI
  • Liu S, Yang H, Kuhn B, Rudolph MG
    D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies
    Journal of Computer-Aided Molecular Design. 2018; 32(1): 1-20. https://doi.org/10.1007/s10822-017-0088-4
    DORA PSI
  • Liu W, Liu A, Gao H, Wang Q, Wang L, Warkentin E, et al.
    Structural properties of the peroxiredoxin AhpC2 from the hyperthermophilic eubacterium Aquifex aeolicus
    Biochimica et Biophysica Acta: General Subjects. 2018; 1862(12): 2797-2805. https://doi.org/10.1016/j.bbagen.2018.08.017
    DORA PSI
  • Ma X, Liu K, Li J, Li H, Li J, Liu Y, et al.
    A non-canonical GTPase interaction enables ORP1L-Rab7-RILP complex formation and late endosome positioning
    Journal of Biological Chemistry. 2018; 293(36): 14155-14164. https://doi.org/10.1074/jbc.RA118.001854
    DORA PSI
  • Magnus J, Stollmaier C, Strohäker T, Hyz K, Maspero E, Polo S, et al.
    β-sheet augmentation Is a conserved mechanism of priming HECT E3 ligases for ubiquitin ligation
    Journal of Molecular Biology. 2018; 430(18): 3218-3233. https://doi.org/10.1016/j.jmb.2018.06.044
    DORA PSI
  • Mattle D, Kuhn B, Aebi J, Bedoucha M, Kekilli D, Grozinger N, et al.
    Ligand channel in pharmacologically stabilized rhodopsin
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2018; 115(14): 3640-3645. https://doi.org/10.1073/pnas.1718084115
    DORA PSI
  • Mechaly AE, Haouz A, Sassoon N, Buschiazzo A, Betton J-M, Alzari PM
    Conformational plasticity of the response regulator CpxR, a key player in Gammaproteobacteria virulence and drug-resistance
    Journal of Structural Biology. 2018; 204(2): 165-171. https://doi.org/10.1016/j.jsb.2018.08.001
    DORA PSI
  • Mesrouze Y, Bokhovchuk F, Izaac A, Meyerhofer M, Zimmermann C, Fontana P, et al.
    Adaptation of the bound intrinsically disordered protein YAP to mutations at the YAP:TEAD interface
    Protein Science. 2018; 27(10): 1810-1820. https://doi.org/10.1002/pro.3493
    DORA PSI
  • Mortuza GB, Hermida D, Pedersen A-K, Segura-Bayona S, López-Méndez B, Redondo P, et al.
    Molecular basis of Tousled-like kinase 2 activation
    Nature Communications. 2018; 9(1): 2535 (17 pp.). https://doi.org/10.1038/s41467-018-04941-y
    DORA PSI
  • Nakaoku T, Kohno T, Araki M, Niho S, Chauhan R, Knowles PP, et al.
    A secondary RET mutation in the activation loop conferring resistance to vandetanib
    Nature Communications. 2018; 9(1): 625 (9 pp.). https://doi.org/10.1038/s41467-018-02994-7
    DORA PSI
  • Namoto K, Sirockin F, Sellner H, Wiesmann C, Villard F, Moreau RJ, et al.
    Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors
    Bioorganic and Medicinal Chemistry Letters. 2018; 28(5): 906-909. https://doi.org/10.1016/j.bmcl.2018.01.064
    DORA PSI
  • Neumann U, Ufer M, Jacobson LH, Rouzade-Dominguez M-L, Huledal G, Kolly C, et al.
    The BACE-1 inhibitor CNP520 for prevention trials in Alzheimer's disease
    EMBO Molecular Medicine. 2018; 10(11): e9316 (18 pp.). https://doi.org/10.15252/emmm.201809316
    DORA PSI
  • Poppe J, Brünle S, Hail R, Wiesemann K, Schneider K, Ermler U
    The molybdenum storage protein: a soluble ATP hydrolysis-dependent molybdate pump
    FEBS Journal. 2018; 285(24): 4602-4616. https://doi.org/10.1111/febs.14684
    DORA PSI
  • Pries V, Nöcker C, Khan D, Johnen P, Hong Z, Tripathi A, et al.
    Target Identification and Mechanism of Action of Picolinamide and Benzamide Chemotypes with Antifungal Properties
    Cell Chemical Biology. 2018; 25(3): 279-290. https://doi.org/10.1016/j.chembiol.2017.12.007
    DORA PSI
  • Prokop JW, Yeo NC, Ottmann C, Chhetri SB, Florus KL, Ross EJ, et al.
    Characterization of coding/noncoding variants for SHROOM3 in patients with CKD
    Journal of the American Society of Nephrology. 2018; 29(5): 1525-1535. https://doi.org/10.1681/asn.2017080856
    DORA PSI
  • Qiu H, Liu-Bujalski L, Caldwell RD, Follis AV, Gardberg A, Goutopoulos A, et al.
    Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit
    Bioorganic and Medicinal Chemistry Letters. 2018; 28(17): 2939-2944. https://doi.org/10.1016/j.bmcl.2018.07.008
    DORA PSI
  • Raisch T, Sandmeir F, Weichenrieder O, Valkov E, Izaurralde E
    Structural and biochemical analysis of a NOT1 MIF4G-like domain of the CCR4-NOT complex
    Journal of Structural Biology. 2018; 204(3): 388-395. https://doi.org/10.1016/j.jsb.2018.10.009
    DORA PSI
  • Regula JT, Imhof-Jung S, Mølhøj M, Benz J, Ehler A, Bujotzek A, et al.
    Variable heavy-variable light domain and Fab-arm CrossMabs with charged residue exchanges to enforce correct light chain assembly
    Protein Engineering Design & Selection. 2018; 31(7-8): 289-299. https://doi.org/10.1093/protein/gzy021
    DORA PSI
  • Renschler FA, Bruekner SR, Salomon PL, Mukherjee A, Kullmann L, Schütz-Stoffregen MC, et al.
    Structural basis for the interaction between the cell polarity proteins Par3 and Par6
    Science Signaling. 2018; 11(517): eaam9899 (12 pp.). https://doi.org/10.1126/scisignal.aam9899
    DORA PSI
  • Rocker A, Peschke M, Kittilä T, Sakson R, Brieke C, Meinhart A
    The ng_ζ1 toxin of the gonococcal epsilon/zeta toxin/antitoxin system drains precursors for cell wall synthesis
    Nature Communications. 2018; 9(1): 1686 (11 pp.). https://doi.org/10.1038/s41467-018-03652-8
    DORA PSI
  • Rufer AC, Kusznir E, Burger D, Stihle M, Ruf A, Rudolph MG
    Domain swap in the C-terminal ubiquitin-like domain of human doublecortin
    Acta Crystallographica Section D: Structural Biology. 2018; 74(5): 450-462. https://doi.org/10.1107/S2059798318004813
    DORA PSI
  • Schoepfer J, Jahnke W, Berellini G, Buonamici S, Cotesta S, Cowan-Jacob SW, et al.
    Discovery of asciminib (ABL001), an allosteric inhibitor of the tyrosine kinase activity of BCR-ABL1
    Journal of Medicinal Chemistry. 2018; 61(18): 8120-8135. https://doi.org/10.1021/acs.jmedchem.8b01040
    DORA PSI
  • Schubert E, Vetter IR, Prumbaum D, Penczek PA, Raunser S
    Membrane insertion of α-xenorhabdolysin in near-atomic detail
    eLife. 2018; 7: e38017 (25 pp.). https://doi.org/10.7554/eLife.38017
    DORA PSI
  • Schuetz DA, Richter L, Amaral M, Grandits M, Grädler U, Musil D, et al.
    Ligand desolvation steers on-rate and impacts drug residence time of heat shock protein 90 (Hsp90) inhibitors
    Journal of Medicinal Chemistry. 2018; 61(10): 4397-4411. https://doi.org/10.1021/acs.jmedchem.8b00080
    DORA PSI
  • Selim KA, Haase F, Hartmann MD, Hagemann M, Forchhammer K
    PII-like signaling protein SbtB links cAMP sensing with cyanobacterial inorganic carbon response
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2018; 115(21): E4861-E4869. https://doi.org/10.1073/pnas.1803790115
    DORA PSI
  • Sgromo A, Raisch T, Backhaus C, Keskeny C, Alva V, Weichenrieder O, et al.
    Drosophila Bag-of-marbles directly interacts with the CAF40 subunit of the CCR4–NOT complex to elicit repression of mRNA targets
    RNA. 2018; 24(3): 381-395. https://doi.org/10.1261/rna.064584.117
    DORA PSI
  • Stevers LM, de Vink PJ, Ottmann C, Huskens J, Brunsveld L
    A thermodynamic model for multivalency in 14-3-3 protein-protein interactions
    Journal of the American Chemical Society. 2018; 140(43): 14498-14510. https://doi.org/10.1021/jacs.8b09618
    DORA PSI
  • Taschner M, Lorentzen A, Mourão A, Collins T, Freke GM, Moulding D, et al.
    Crystal structure of intraflagellar transport protein 80 reveals a homodimer required for ciliogenesis
    eLife. 2018; 7: e33067 (27 pp.). https://doi.org/10.7554/eLife.33067
    DORA PSI
  • Tesch R, Becker C, Müller MP, Beck ME, Quambusch L, Getlik M, et al.
    An unusual intramolecular halogen bond guides conformational selection
    Angewandte Chemie International Edition. 2018; 57(31): 9970-9975. https://doi.org/10.1002/anie.201804917
    DORA PSI
  • Vaupel A, Holzer P, Ferretti S, Guagnano V, Kallen J, Mah R, et al.
    In vitro and in vivo characterization of a novel, highly potent p53-MDM2 inhibitor
    Bioorganic and Medicinal Chemistry Letters. 2018; 28(20): 3404-3408. https://doi.org/10.1016/j.bmcl.2018.08.027
    DORA PSI
  • Veenstra SJ, Rueeger H, Voegtle M, Lueoend R, Holzer P, Hurth K, et al.
    Discovery of amino-1,4-oxazines as potent BACE-1 inhibitors
    Bioorganic and Medicinal Chemistry Letters. 2018; 28(12): 2195-2200. https://doi.org/10.1016/j.bmcl.2018.05.003
    DORA PSI
  • Vergara A, Caterino M, Merlino A
    Raman-markers of X-ray radiation damage of proteins
    International Journal of Biological Macromolecules. 2018; 111: 1194-1205. https://doi.org/10.1016/j.ijbiomac.2018.01.135
    DORA PSI
  • Vos SM, Farnung L, Boehning M, Wigge C, Linden A, Urlaub H, et al.
    Structure of activated transcription complex Pol II–DSIF–PAF–SPT6
    Nature. 2018; 560(7720): 607-612. https://doi.org/10.1038/s41586-018-0440-4
    DORA PSI
  • Vulpetti A, Ostermann N, Randl S, Yoon T, Mac Sweeney A, Cumin F, et al.
    Discovery and design of first benzylamine-based ligands binding to an unlocked conformation of the complement factor D
    ACS Medicinal Chemistry Letters. 2018; 9(5): 490-495. https://doi.org/10.1021/acsmedchemlett.8b00104
    DORA PSI
  • Witzgall F, Depke T, Hoffmann M, Empting M, Brönstrup M, Müller R, et al.
    The alkylquinolone repertoire of Pseudomonas aeruginosa is linked to structural flexibility of the FabH-like 2-heptyl-3-hydroxy-4(1H)-quinolone (PQS) biosynthesis enzyme PqsBC
    ChemBioChem. 2018; 19(14): 1531-1544. https://doi.org/10.1002/cbic.201800153
    DORA PSI
  • Wojdyla JA, Kaminski JW, Panepucci E, Ebner S, Wang X, Gabadinho J, et al.
    DA+ data acquisition and analysis software at the Swiss Light Source macromolecular crystallography beamlines
    Journal of Synchrotron Radiation. 2018; 25(1): 293-303. https://doi.org/10.1107/S1600577517014503
    DORA PSI
  • Yilmaz E, Bier D, Guillory X, Briels J, Ruiz-Blanco YB, Sanchez-Garcia E, et al.
    Mono- and bivalent 14-3-3 inhibitors for characterizing supramolecular "lysine wrapping" of oligoethylene glycol (OEG) moieties in proteins
    Chemistry: A European Journal. 2018; 24(52): 13807-13814. https://doi.org/10.1002/chem.201801074
    DORA PSI
  • de Moura TR, Mozaffari-Jovin S, Szabó CZK, Schmitzová J, Dybkov O, Cretu C, et al.
    Prp19/Pso4 is an autoinhibited ubiquitin ligase activated by stepwise assembly of three splicing factors
    Molecular Cell. 2018; 69(6): 979-992.e6. https://doi.org/10.1016/j.molcel.2018.02.022
    DORA PSI
  • van Ameijde J, Crespo R, Janson R, Juraszek J, Siregar B, Verveen H, et al.
    Enhancement of therapeutic potential of a naturally occurring human antibody targeting a phosphorylated Ser422 containing epitope on pathological tau
    Acta Neuropathologica Communications. 2018; 6: 59 (14 pp.). https://doi.org/10.1186/s40478-018-0562-9
    DORA PSI
  • Ahmed S, Ayscough A, Barker GR, Canning HE, Davenport R, Downham R, et al.
    1,2,4-Triazolo-[1,5-a]pyridine HIF Prolylhydroxylase Domain-1 (PHD-1) Inhibitors with a Novel Monodentate Binding Interaction
    Journal of Medicinal Chemistry. 2017; 60(13): 5663-5672. https://doi.org/10.1021/acs.jmedchem.7b00352
    DORA PSI
  • Aigner H, Wilson RH, Bracher A, Calisse L, Bhat JY, Hartl FU, et al.
    Plant RuBisCo assembly in E. coli with five chloroplast chaperones including BSD2
    Science. 2017; 358(6368): 1272-1278. https://doi.org/10.1126/science.aap9221
    DORA PSI
  • Altmann E, Erbel P, Renatus M, Schaefer M, Schlierf A, Druet A, et al.
    Azaindoles as zinc-binding small-molecule inhibitors of the JAMM protease CSN5
    Angewandte Chemie International Edition. 2017; 56(5): 1294-1297. https://doi.org/10.1002/anie.201608672
    DORA PSI
  • Bai L, Wagner T, Xu T, Hu X, Ermler U, Shima S
    A Water-Bridged H-Bonding Network Contributes to the Catalysis of the SAM-Dependent C-Methyltransferase HcgC
    Angewandte Chemie International Edition. 2017; 56(36): 10806-10809. https://doi.org/10.1002/anie.201705605
    DORA PSI
  • Bai L, Fujishiro T, Huang G, Koch J, Takabayashi A, Yokono M, et al.
    Towards artificial methanogenesis: Biosynthesis of the [Fe]-hydrogenase cofactor and characterization of the semi-synthetic hydrogenase
    Faraday Discussions. 2017; 198: 37-58. https://doi.org/10.1039/c6fd00209a
    DORA PSI
  • Bier D, Mittal S, Bravo-Rodriguez K, Sowislok A, Guillory X, Briels J, et al.
    The Molecular Tweezer CLR01 Stabilizes a Disordered Protein-Protein Interface
    Journal of the American Chemical Society. 2017; 139(45): 16256-16263. https://doi.org/10.1021/jacs.7b07939
    DORA PSI
  • Bloch JS, Ruetz M, Kräutler B, Locher KP
    Structure of the human transcobalamin beta domain in four distinct states
    PLoS One. 2017; 12(9): e0184932. https://doi.org/10.1371/journal.pone.0184932
    DORA PSI
  • Bührmann M, Hardick J, Weisner J, Quambusch L, Rauh D
    Covalent Lipid Pocket Ligands Targeting p38α MAPK Mutants
    Angewandte Chemie International Edition. 2017; 56(43): 13232-13236. https://doi.org/10.1002/anie.201706345
    DORA PSI
  • Bührmann M, Wiedemann BM, Müller MP, Hardick J, Ecke M, Rauh D
    Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38α MAPK
    PLoS One. 2017; 12(9): e0184627. https://doi.org/10.1371/journal.pone.0184627
    DORA PSI
  • Cigler M, Müller TG, Horn-Ghetko D, von Wrisberg M-K, Fottner M, Goody RS, et al.
    Proximity-Triggered Covalent Stabilization of Low-Affinity Protein Complexes In Vitro and In Vivo
    Angewandte Chemie International Edition. 2017; 56(49): 15737-15741. https://doi.org/10.1002/anie.201706927
    DORA PSI
  • Cokorinos EC, Delmore J, Reyes AR, Albuquerque B, Kjøbsted R, Jørgensen NO, et al.
    Activation of Skeletal Muscle AMPK Promotes Glucose Disposal and Glucose Lowering in Non-human Primates and Mice
    Cell Metabolism. 2017; 25(5): 1147-1159. https://doi.org/10.1016/j.cmet.2017.04.010
    DORA PSI
  • Deacon OM, Karsisiotis AI, Moreno-Chicano T, Hough MA, Macdonald C, Blumenschein TMA, et al.
    Heightened dynamics of the oxidized Y48H variant of human cytochrome c increases its peroxidatic activity
    Biochemistry. 2017; 56(46): 6111-6124. https://doi.org/10.1021/acs.biochem.7b00890
    DORA PSI
  • Demmer JK, Pal Chowdhury N, Selmer T, Ermler U, Buckel W
    The semiquinone swing in the bifurcating electron transferring flavoprotein/butyryl-CoA dehydrogenase complex from Clostridium difficile
    Nature Communications. 2017; 8(1): 1577. https://doi.org/10.1038/s41467-017-01746-3
    DORA PSI
  • Deshpande I, Seeber A, Shimada K, Keusch JJ, Gut H, Gasser SM
    Structural Basis of Mec1-Ddc2-RPA Assembly and Activation on Single-Stranded DNA at Sites of Damage
    Molecular Cell. 2017; 68(2): 431-445. https://doi.org/10.1016/j.molcel.2017.09.019
    DORA PSI
  • Diebold-Durand M-L, Lee H, Ruiz Avila LB, Noh H, Shin H-C, Im H, et al.
    Structure of Full-Length SMC and Rearrangements Required for Chromosome Organization
    Molecular Cell. 2017; 67(2): 334-347. https://doi.org/10.1016/j.molcel.2017.06.010
    DORA PSI
  • Doveston RG, Kuusk A, Andrei SA, Leysen S, Cao Q, Castaldi MP, et al.
    Small-molecule stabilization of the p53 – 14-3-3 protein-protein interaction
    FEBS Letters. 2017; 591(16): 2449-2457. https://doi.org/10.1002/1873-3468.12723
    DORA PSI
  • Fairhurst RA, Knoepfel T, Leblanc C, Buschmann N, Gaul C, Blank J, et al.
    Approaches to selective fibroblast growth factor receptor 4 inhibition through targeting the ATP-pocket middle-hinge region
    MedChemComm. 2017; 8(8): 1604-1613. https://doi.org/10.1039/c7md00213k
    DORA PSI
  • Falk S, Bonneau F, Ebert J, Kögel A, Conti E
    Mpp6 Incorporation in the Nuclear Exosome Contributes to RNA Channeling through the Mtr4 Helicase
    Cell Reports. 2017; 20(10): 2279-2286. https://doi.org/10.1016/j.celrep.2017.08.033
    DORA PSI
  • Favuzza P, Guffart E, Tamborrini M, Scherer B, Dreyer AM, Rufer AC, et al.
    Structure of the malaria vaccine candidate antigen CyRPA and its complex with a parasite invasion inhibitory antibody
    eLife. 2017; 6: e20383. https://doi.org/10.7554/eLife.20383
    DORA PSI
  • Fiskin E, Bhogaraju S, Herhaus L, Kalayil S, Hahn M, Dikic I
    Structural basis for the recognition and degradation of host TRIM proteins by Salmonella effector SopA
    Nature Communications. 2017; 8: 14004 (14 pp.). https://doi.org/10.1038/ncomms14004
    DORA PSI
  • Fuchs ACD, Alva V, Maldoner L, Albrecht R, Hartmann MD, Martin J
    The Architecture of the Anbu Complex Reflects an Evolutionary Intermediate at the Origin of the Proteasome System
    Structure. 2017; 25(6): 834-845. https://doi.org/10.1016/j.str.2017.04.005
    DORA PSI
  • Gasper R, Schwach J, Hartmann J, Holtkamp A, Wiethaus J, Riedel N, et al.
    Distinct features of cyanophage-encoded T-type phycobiliprotein lyase ΦCpeT. The role of auxiliary metabolic genes
    Journal of Biological Chemistry. 2017; 292(8): 3089-3098. https://doi.org/10.1074/jbc.M116.769703
    DORA PSI
  • Giroud M, Ivkovic J, Martignoni M, Fleuti M, Trapp N, Haap W, et al.
    Inhibition of the Cysteine Protease Human Cathepsin L by Triazine Nitriles: Amide⋅⋅⋅Heteroarene π-Stacking Interactions and Chalcogen Bonding in the S3 Pocket
    ChemMedChem. 2017; 12(3): 257-270. https://doi.org/10.1002/cmdc.201600563
    DORA PSI
  • Goepfert A, Lehmann S, Wirth E, Rondeau J-M
    The human IL-17A/F heterodimer: A two-faced cytokine with unique receptor recognition properties
    Scientific Reports. 2017; 7(1): 8906. https://doi.org/10.1038/s41598-017-08360-9
    DORA PSI
  • Halekotte J, Witt L, Ianes C, Krüger M, Bührmann M, Rauh D, et al.
    Optimized 4,5-diarylimidazoles as potent/selective inhibitors of Protein Kinase CK1δ and their structural relation to P38α MAPK
    Molecules. 2017; 22(4): 522. https://doi.org/10.3390/molecules22040522
    DORA PSI
  • Hillen HS, Parshin AV, Agaronyan K, Morozov YI, Graber JJ, Chernev A, et al.
    Mechanism of Transcription Anti-termination in Human Mitochondria
    Cell. 2017; 171(5): 1082-1093. https://doi.org/10.1016/j.cell.2017.09.035
    DORA PSI
  • Hoegenauer K, Soldermann N, Zécri F, Strang RS, Graveleau N, Wolf RM, et al.
    Discovery of CDZ173 (Leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors
    ACS Medicinal Chemistry Letters. 2017; 8(9): 975-980. https://doi.org/10.1021/acsmedchemlett.7b00293
    DORA PSI
  • Jiang S, Wang L, Huang M, Jia Z, Weinert T, Warkentin E, et al.
    DM9 domain containing protein functions as a pattern recognition receptor with broad microbial recognition spectrum
    Frontiers in Immunology. 2017; 8: 1607 (17 pp.). https://doi.org/10.3389/fimmu.2017.01607
    DORA PSI
  • Kallen J, Izaac A, Be C, Arista L, Orain D, Kaupmann K, et al.
    Structural States of RORγt: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds
    ChemMedChem. 2017; 12(13): 1014-1021. https://doi.org/10.1002/cmdc.201700278
    DORA PSI
  • Kekilli D, Petersen CA, Pixton DA, Ghafoor DD, Abdullah GH, Dworkowski FSN, et al.
    Engineering proximal vs. distal heme-NO coordination via dinitrosyl dynamics: implications for NO sensor design
    Chemical Science. 2017; 8(3): 1986-1994. https://doi.org/10.1039/c6sc04190f
    DORA PSI
  • Kekilli D, Moreno-Chicano T, Chaplin AK, Horrell S, Dworkowski FSN, Worrall JAR, et al.
    Photoreduction and validation of haem-ligand intermediate states in protein crystals by in situ single-crystal spectroscopy and diffraction
    IUCrJ. 2017; 4: 263-270. https://doi.org/10.1107/S2052252517002159
    DORA PSI
  • Klein C, Waldhauer I, Nicolini VG, Freimoser-Grundschober A, Nayak T, Vugts DJ, et al.
    Cergutuzumab amunaleukin (CEA-IL2v), a CEA-targeted IL-2 variant-based immunocytokine for combination cancer immunotherapy: Overcoming limitations of aldesleukin and conventional IL-2-based immunocytokines
    OncoImmunology. 2017; 6(3): e1277306. https://doi.org/10.1080/2162402X.2016.1277306
    DORA PSI
  • Konjik V, Brünle S, Demmer U, Vanselow A, Sandhoff R, Ermler U, et al.
    The crystal structure of RosB: insights into the reaction mechanism of the first member of a family of flavodoxin-like enzymes
    Angewandte Chemie International Edition. 2017; 56(4): 1146-1151. https://doi.org/10.1002/anie.201610292
    DORA PSI
  • Krüger DM, Glas A, Bier D, Pospiech N, Wallraven K, Dietrich L, et al.
    Structure-based design of non-natural macrocyclic peptides that inhibit protein-protein interactions
    Journal of Medicinal Chemistry. 2017; 60(21): 8982-8988. https://doi.org/10.1021/acs.jmedchem.7b01221
    DORA PSI
  • Kugel S, Baunach M, Baer P, Ishida-Ito M, Sundaram S, Xu Z, et al.
    Cryptic indole hydroxylation by a non-canonical terpenoid cyclase parallels bacterial xenobiotic detoxification
    Nature Communications. 2017; 8: 15804. https://doi.org/10.1038/ncomms15804
    DORA PSI
  • Kuglstatter A, Huber S, Benz J
    Potent and Selective BACE-1 Peptide Inhibitors Lower Brain A beta Levels Mediated by Brain Shuttle Transport.
    EBioMedicine. 2017; 24: 76. https://doi.org/10.1016/j.ebiom.2017.09.004
    DORA PSI
  • Kuglstatter A, Stihle M, Neumann C, Müller C, Schaefer W, Klein C, et al.
    Structural differences between glycosylated, disulfide-linked heterodimeric Knob-into-Hole Fc fragment and its homodimeric Knob-Knob and Hole-Hole side products
    Protein Engineering Design & Selection. 2017; 30(9): 649-656. https://doi.org/10.1093/protein/gzx041
    DORA PSI
  • Kuhn B, Tichý M, Wang L, Robinson S, Martin RE, Kuglstatter A, et al.
    Prospective evaluation of free energy calculations for the prioritization of cathepsin L inhibitors
    Journal of Medicinal Chemistry. 2017; 60(6): 2485-2497. https://doi.org/10.1021/acs.jmedchem.6b01881
    DORA PSI
  • Li L, Lingaraju M, Basquin C, Basquin J, Conti E
    Structure of a SMG8-SMG9 complex identifies a G-domain heterodimer in the NMD effector proteins
    RNA. 2017; 23(7): 1028-1034. https://doi.org/10.1261/rna.061200.117
    DORA PSI
  • Lindner R, Hartmann E, Tarnawski M, Winkler A, Frey D, Reinstein J, et al.
    Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase
    Journal of Molecular Biology. 2017; 429(9): 1336-1351. https://doi.org/10.1016/j.jmb.2017.03.020
    DORA PSI
  • Lorthiois E, Anderson K, Vulpetti A, Rogel O, Cumin F, Ostermann N, et al.
    Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo
    Journal of Medicinal Chemistry. 2017; 60(13): 5717-5735. https://doi.org/10.1021/acs.jmedchem.7b00425
    DORA PSI
  • Lyamichev VI, Goodrich LE, Sullivan EH, Bannen RM, Benz J, Albert TJ, et al.
    Stepwise Evolution Improves Identification of Diverse Peptides Binding to a Protein Target
    Scientific Reports. 2017; 7(1): 12116. https://doi.org/10.1038/s41598-017-12440-1
    DORA PSI
  • Ma P, Weichert D, Aleksandrov LA, Jensen TJ, Riordan JR, Liu X, et al.
    The cubicon method for concentrating membrane proteins in the cubic mesophase
    Nature Protocols. 2017; 12(9): 1745-1762. https://doi.org/10.1038/nprot.2017.057
    DORA PSI
  • Manrique S, Sauter D, Horenkamp FA, Lülf S, Yu H, Hotter D, et al.
    Endocytic sorting motif interactions involved in Nef-mediated downmodulation of CD4 and
    Nature Communications. 2017; 8(1): 442. https://doi.org/10.1038/s41467-017-00481-z
    DORA PSI
  • Martín-Gago P, Fansa EK, Klein CH, Murarka S, Janning P, Schürmann M, et al.
    A PDE6δ-KRas inhibitor chemotype with up to seven H-bonds and picomolar affinity that prevents efficient inhibitor release by Arl2
    Angewandte Chemie International Edition. 2017; 56(9): 2423-2428. https://doi.org/10.1002/anie.201610957
    DORA PSI
  • McCombs NL, Moreno-Chicano T, Carey LM, Franzen S, Hough MA, Ghiladi RA
    Interaction of Azole-Based Environmental Pollutants with the Coelomic Hemoglobin from Amphitrite ornata: A Molecular Basis for Toxicity
    Biochemistry. 2017; 56(17): 2294-2303. https://doi.org/10.1021/acs.biochem.7b00041
    DORA PSI

SLS Publications

Get access to all user and inhouse research publications

Upcoming Events

Get a list of upcoming scientific conferences and seminars

PSI User Facilities Newsletter

Current News from PSI photon, neutron and muon user facilities