Publications

PDB structures measured at X06SA

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

  • Arnold FM, Weber MS, Gonda I, Gallenito MJ, Adenau S, Egloff P, et al.
    The ABC exporter IrtAB imports and reduces mycobacterial siderophores
    Nature. 2020; 580(7803): 413-417. https://doi.org/10.1038/s41586-020-2136-9
    DORA PSI
  • Badmann T, Groll M
    Structures in tetrahydrofolate methylation in desulfitobacterial glycine betaine metabolism at atomic resolution
    ChemBioChem. 2020; 21(6): 776-779. https://doi.org/10.1002/cbic.201900515
    DORA PSI
  • Bao C, Bajrami B, Marcotte DJ, Chodaparambil JV, Kerns HM, Henderson J, et al.
    Mechanisms of regulation and diverse activities of tau-tubulin kinase (TTBK) isoforms
    Cellular and Molecular Neurobiology. 2020. https://doi.org/10.1007/s10571-020-00875-6
    DORA PSI
  • Bauer MR, Krämer A, Settanni G, Jones RN, Ni X, Khan Tareque R, et al.
    Targeting cavity-creating p53 cancer mutations with small-molecule stabilizers: the Y220X paradigm
    ACS Chemical Biology. 2020; 15(3): 657-668. https://doi.org/10.1021/acschembio.9b00748
    DORA PSI
  • Brunner JD, Jakob RP, Schulze T, Neldner Y, Moroni A, Thiel G, et al.
    Structural basis for ion selectivity in TMEM175 K+ channels
    eLife. 2020; 9: e53683 (24 pp.). https://doi.org/10.7554/eLife.53683
    DORA PSI
  • Buonfiglio R, Prati F, Bischetti M, Cavarischia C, Furlotti G, Ombrato R
    Discovery of novel imidazopyridine GSK-3β inhibitors supported by cmputational approaches
    Molecules. 2020; 25(9): 2163 (29 pp.). https://doi.org/10.3390/molecules25092163
    DORA PSI
  • Crack JC, Amara P, Volbeda A, Mouesca J-M, Rohac R, Pellicer Martinez MT, et al.
    Electron and proton transfers modulate DNA binding by the transcription regulator RsrR
    Journal of the American Chemical Society. 2020; 142(11): 5104-5116. https://doi.org/10.1021/jacs.9b12250
    DORA PSI
  • Draxler SW, Bauer M, Eickmeier C, Nadal S, Nar H, Rangel Rojas D, et al.
    Hybrid screening approach for very small fragments: X-ray and computational screening on FKBP51
    Journal of Medicinal Chemistry. 2020; 63(11): 5856-5864. https://doi.org/10.1021/acs.jmedchem.0c00120
    DORA PSI
  • Du D, Katsuyama Y, Horiuchi M, Fushinobu S, Chen A, Davis TD, et al.
    Structural basis for selectivity in a highly reducing type II polyketide synthase
    Nature Chemical Biology. 2020. https://doi.org/10.1038/s41589-020-0530-0
    DORA PSI
  • Ernst S, Ecker F, Kaspers MS, Ochtrop P, Hedberg C, Groll M, et al.
    Legionella effector AnkX displaces the switch II region for Rab1b phosphocholination
    Science Advances. 2020; 6(20): eaaz8041 (14 pp.). https://doi.org/10.1126/sciadv.aaz8041
    DORA PSI
  • Ernst P, Zosel F, Reichen C, Nettels D, Schuler B, Plückthun A
    Structure-guided design of a peptide lock for modular peptide binders
    ACS Chemical Biology. 2020; 15(2): 457-468. https://doi.org/10.1021/acschembio.9b00928
    DORA PSI
  • Exner TE, Becker S, Becker S, Boniface-Guiraud A, Delepelaire P, Diederichs K, et al.
    Binding of HasA by its transmembrane receptor HasR follows a conformational funnel mechanism
    European Biophysics Journal. 2020; 49(1): 39-57. https://doi.org/10.1007/s00249-019-01411-1
    DORA PSI
  • Ge P, Scholl D, Prokhorov NS, Avaylon J, Shneider MM, Browning C, et al.
    Action of a minimal contractile bactericidal nanomachine
    Nature. 2020; 580(7805): 658-662. https://doi.org/10.1038/s41586-020-2186-z
    DORA PSI
  • Gellrich L, Heitel P, Heering J, Kilu W, Pollinger J, Goebel T, et al.
    L-thyroxin and the non-classical thyroid hormone TETRAC are potent activators of PPARγ
    Journal of Medicinal Chemistry. 2020; 63(13): 6727-6740. https://doi.org/10.1021/acs.jmedchem.9b02150
    DORA PSI
  • Gotfryd K, Boesen T, Mortensen JS, Khelashvili G, Quick M, Terry DS, et al.
    X-ray structure of LeuT in an inward-facing occluded conformation reveals mechanism of substrate release
    Nature Communications. 2020; 11(1): 1005 (14 pp.). https://doi.org/10.1038/s41467-020-14735-w
    DORA PSI
  • Grāve K, Griese JJ, Berggren G, Bennett MD, Högbom M
    The Bacillus anthracis class Ib ribonucleotide reductase subunit NrdF intrinsically selects manganese over iron
    Journal of Biological Inorganic Chemistry. 2020; 25: 571-582. https://doi.org/10.1007/s00775-020-01782-3
    DORA PSI
  • Hanke T, Cheung S-Y, Kilu W, Heering J, Ni X, Planz V, et al.
    A selective modulator of peroxisome proliferator-activated receptor γ with an unprecedented binding mode
    Journal of Medicinal Chemistry. 2020; 63(9): 4555-4561. https://doi.org/10.1021/acs.jmedchem.9b01786
    DORA PSI
  • Hepp S, Trauth J, Hasenjäger S, Bezold F, Essen L-O, Taxis C
    An optogenetic tool for induced protein stabilization based on the Phaeodactylum tricornutum aureochrome 1a light-oxygen-voltage domain
    Journal of Molecular Biology. 2020; 432(7): 1880-1900. https://doi.org/10.1016/j.jmb.2020.02.019
    DORA PSI
  • Hofmann MH, Mani R, Engelhardt H, Impagnatiello MA, Carotta S, Kerenyi M, et al.
    Selective and potent CDK8/19 inhibitors enhance NK-cell activity and promote tumor surveillance
    Molecular Cancer Therapeutics. 2020; 19(4): 1018-1030. https://doi.org/10.1158/1535-7163.MCT-19-0789
    DORA PSI
  • Hortschansky P, Misslinger M, Mörl J, Gsaller F, Bromley MJ, Brakhage AA, et al.
    Structural basis of HapEP88L-linked antifungal triazole resistance in Aspergillus fumigatus
    Life Science Alliance. 2020; 3(7): e202000729 (12 pp.). https://doi.org/10.26508/lsa.202000729
    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: Springer Nature; 2020:293-319. https://doi.org/10.1007/978-1-0716-0373-4_20
    DORA PSI
  • Huber J, Obata M, Gruber J, Akutsu M, Löhr F, Rogova N, et al.
    An atypical LIR motif within UBA5 (ubiquitin like modifier activating enzyme 5) interacts with GABARAP proteins and mediates membrane localization of UBA5
    Autophagy. 2020; 16(2): 256-270. https://doi.org/10.1080/15548627.2019.1606637
    DORA PSI
  • Kaiser M, Wurm JP, Märtens B, Bläsi U, Pogoryelov D, Wöhnert J
    Crystal structure of the translation recovery factor Trf from Sulfolobus solfataricus
    FEBS Open Bio. 2020; 10(2): 221-228. https://doi.org/10.1002/2211-5463.12772
    DORA PSI
  • Karpik A, Martiel I, Kristiansen PM, Padeste C
    Fabrication of ultrathin suspended polymer membranes as supports for serial protein crystallography
    Micro and Nano Engineering. 2020; 7: 100053 (6 pp.). https://doi.org/10.1016/j.mne.2020.100053
    DORA PSI
  • Klatt F, Leitner A, Kim IV, Ho-Xuan H, Schneider EV, Langhammer F, et al.
    A precisely positioned MED12 activation helix stimulates CDK8 kinase activity
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2020; 117(6): 2894-2905. https://doi.org/10.1073/pnas.1917635117
    DORA PSI
  • Knez D, Colettis N, Iacovino LG, Sova M, Pišlar A, Konc J, et al.
    Stereoselective activity of 1-propargyl-4-styrylpiperidine-like analogues that can discriminate between monoamine oxidase isoforms A and B
    Journal of Medicinal Chemistry. 2020; 63(3): 1361-1387. https://doi.org/10.1021/acs.jmedchem.9b01886
    DORA PSI
  • Kries H, Bloch JS, Bunzel HA, Pinkas DM, Hilvert D
    Contribution of oxyanion stabilization to kemp eliminase efficiency
    ACS Catalysis. 2020; 10(8): 4460-4464. https://doi.org/10.1021/acscatal.0c00575
    DORA PSI
  • Leger PR, Hu DX, Biannic B, Bui M, Han X, Karbarz E, et al.
    Discovery of potent, selective, and orally bioavailable inhibitors of USP7 with in vivo antitumor activity
    Journal of Medicinal Chemistry. 2020; 63(10): 5398-5420. https://doi.org/10.1021/acs.jmedchem.0c00245
    DORA PSI
  • Leonarski F, Mozzanica A, Brückner M, Lopez-Cuenca C, Redford S, Sala L, et al.
    JUNGFRAU detector for brighter x-ray sources: solutions for IT and data science challenges in macromolecular crystallography
    Structural Dynamics. 2020; 7(1): 014305 (13 pp.). https://doi.org/10.1063/1.5143480
    DORA PSI
  • Macdonald DS, Garrabou X, Klaus C, Verez R, Mori T, Hilvert D
    Engineered artificial carboligases facilitate regioselective preparation of enantioenriched aldol adducts
    Journal of the American Chemical Society. 2020; 142(23): 10250-10254. https://doi.org/10.1021/jacs.0c02351
    DORA PSI
  • Maliar N, Kovalev K, Baeken C, Balandin T, Astashkin R, Rulev M, et al.
    Crystal structure of the N112A mutant of the light-driven sodium pump KR2
    Crystals. 2020; 10(6): 496 (15 pp.). https://doi.org/10.3390/cryst10060496
    DORA PSI
  • Malik IT, Pereira R, Vielberg M-T, Mayer C, Straetener J, Thomy D, et al.
    Functional characterisation of ClpP mutations conferring resistance to acyldepsipeptide antibiotics in firmicutes
    ChemBioChem. 2020. https://doi.org/10.1002/cbic.201900787
    DORA PSI
  • Martiel I, Buntschu D, Meier N, Gobbo A, Panepucci E, Schneider R, et al.
    The TELL automatic sample changer for macromolecular crystallography
    Journal of Synchrotron Radiation. 2020; 27: 860-863. https://doi.org/10.1107/S1600577520002416
    DORA PSI
  • Martiel I, Mozzanica A, Opara NL, Panepucci E, Leonarski F, Redford S, et al.
    X-ray fluorescence detection for serial macromolecular crystallography using a JUNGFRAU pixel detector
    Journal of Synchrotron Radiation. 2020; 27: 329-339. https://doi.org/10.1107/S1600577519016758
    DORA PSI
  • Matthews A, Saleem-Batcha R, Sanders JN, Stull F, Houk KN, Teufel R
    Aminoperoxide adducts expand the catalytic repertoire of flavin monooxygenases
    Nature Chemical Biology. 2020; 16(5): 556-563. https://doi.org/10.1038/s41589-020-0476-2
    DORA PSI
  • Medits I, Vaney M-C, Rouvinski A, Rey M, Chamot-Rooke J, Rey FA, et al.
    Extensive flavivirus E trimer breathing accompanies stem zippering of the post-fusion hairpin
    EMBO Reports. 2020. https://doi.org/10.15252/embr.202050069
    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; 16: 391-399. https://doi.org/10.1038/s41589-019-0458-4
    DORA PSI
  • Nakamura R, Hikita M, Ogawa S, Takahashi Y, Fujishiro T
    Snapshots of PLP-substrate and PLP-product external aldimines as intermediates in two types of cysteine desulfurase enzymes
    FEBS Journal. 2020; 287(6): 1138-1154. https://doi.org/10.1111/febs.15081
    DORA PSI
  • Nicoll CR, Bailleul G, Fiorentini F, Mascotti ML, Fraaije MW, Mattevi A
    Ancestral-sequence reconstruction unveils the structural basis of function in mammalian FMOs
    Nature Structural and Molecular Biology. 2020; 27(1): 14-24. https://doi.org/10.1038/s41594-019-0347-2
    DORA PSI
  • Olatunji S, Yu X, Bailey J, Huang C-Y, Zapotoczna M, Bowen K, et al.
    Structures of lipoprotein signal peptidase II from Staphylococcus aureus complexed with antibiotics globomycin and myxovirescin
    Nature Communications. 2020; 11(1): 140 (11 pp.). https://doi.org/10.1038/s41467-019-13724-y
    DORA PSI
  • Ontoria JM, Biancofiore I, Fezzardi P, Ferrigno F, Torrente E, Colarusso S, et al.
    Combined peptide and small-molecule approach toward nonacidic THIQ inhibitors of the KEAP1/NRF2 interaction
    ACS Medicinal Chemistry Letters. 2020; 11(5): 740-746. https://doi.org/10.1021/acsmedchemlett.9b00594
    DORA PSI
  • Ost GS, Wirth C, Bogdanović X, Kao W-C, Schorch B, Aktories PJK, et al.
    Inverse control of Rab proteins by Yersinia ADP-ribosyltransferase and glycosyltransferase related to clostridial glucosylating toxins
    Science Advances. 2020; 6(11): eaaz2094 (12 pp.). https://doi.org/10.1126/sciadv.aaz2094
    DORA PSI
  • Parks CD, Gaieb Z, Chiu M, Yang H, Shao C, Walters WP, et al.
    D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies
    Journal of Computer-Aided Molecular Design. 2020; 34(2): 99-119. https://doi.org/10.1007/s10822-020-00289-y
    DORA PSI
  • Perez-Boerema A, Klaiman D, Caspy I, Netzer-El SY, Amunts A, Nelson N
    Structure of a minimal photosystem I from the green alga Dunaliella salina
    Nature Plants. 2020; 6(3): 321-327. https://doi.org/10.1038/s41477-020-0611-9
    DORA PSI
  • Platzer G, Mayer M, Beier A, Brüschweiler S, Fuchs JE, Engelhardt H, et al.
    PI by NMR: probing CH-π interactions in protein-ligand complexes by NMR spectroscopy
    Angewandte Chemie International Edition. 2020. https://doi.org/10.1002/anie.202003732
    DORA PSI
  • Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, et al.
    Comparison of orexin 1 and orexin 2 ligand binding modes using X-ray crystallography and computational analysis
    Journal of Medicinal Chemistry. 2020; 63(4): 1528-1543. https://doi.org/10.1021/acs.jmedchem.9b01787
    DORA PSI
  • Rittner A, Paithankar KS, Himmler A, Grininger M
    Type I fatty acid synthase trapped in the octanoyl-bound state
    Protein Science. 2020; 29(2): 589-605. https://doi.org/10.1002/pro.3797
    DORA PSI
  • Serrano-Plana J, Rumo C, Rebelein JG, Peterson RL, Barnet M, Ward TR
    Enantioselective hydroxylation of benzylic C(sp3)-H bonds by an artificial iron hydroxylase based on the biotin-streptavidin technology
    Journal of the American Chemical Society. 2020; 142(24): 10617-10623. https://doi.org/10.1021/jacs.0c02788
    DORA PSI
  • Shin D, Mukherjee R, Liu Y, Gonzalez A, Bonn F, Liu Y, et al.
    Regulation of phosphoribosyl-linked serine ubiquitination by deubiquitinases DupA and DupB
    Molecular Cell. 2020; 77(1): 164-179.e6. https://doi.org/10.1016/j.molcel.2019.10.019
    DORA PSI
  • Ströh LJ, Rustmeier NH, Blaum BS, Botsch J, Rößler P, Wedekink F, et al.
    Structural basis and evolution of glycan receptor specificities within the polyomavirus family
    mBio. 2020; 11(4): e00745-20 (21 pp.). https://doi.org/10.1128/mBio.00745-20
    DORA PSI
  • Su Q, Banks E, Bebernitz G, Bell K, Borenstein CF, Chen H, et al.
    Discovery of (2R)-N-[3-[2-[(3-Methoxy-1-methyl-pyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propenamide (AZD4205) as a potent and selective Janus kinase 1 inhibitor
    Journal of Medicinal Chemistry. 2020; 63(9): 4517-4527. https://doi.org/10.1021/acs.jmedchem.9b01392
    DORA PSI
  • Subramanian G, Vairagoundar R, Bowen SJ, Roush N, Zachary T, Javens C, et al.
    Synthetic inhibitor leads of human tropomyosin receptor kinase A (hTrkA)
    RSC Medicinal Chemistry. 2020; 11(3): 370-377. https://doi.org/10.1039/c9md00554d
    DORA PSI
  • Słabicki M, Kozicka Z, Petzold G, Li Y-D, Manojkumar M, Bunker RD, et al.
    The CDK inhibitor CR8 acts as a molecular glue degrader that depletes cyclin K
    Nature. 2020. https://doi.org/10.1038/s41586-020-2374-x
    DORA PSI
  • Vieweg S, Mulholland K, Bräuning B, Kachariya N, Lai Y-C, Toth R, et al.
    PINK1-dependent phosphorylation of Serine111 within the SF3 motif of Rab GTPases impairs effector interactions and LRRK2-mediated phosphorylation at Threonine72
    Biochemical Journal. 2020; 477(9): 1651-1668. https://doi.org/10.1042/BCJ20190664
    DORA PSI
  • Vogler M, Karan R, Renn D, Vancea A, Vielberg M-T, Grötzinger SW, et al.
    Crystal structure and active site engineering of a halophilic γ-carbonic anhydrase
    Frontiers in Microbiology. 2020; 11: 742 (12 pp.). https://doi.org/10.3389/fmicb.2020.00742
    DORA PSI
  • Welte H, Zhou T, Mihajlenko X, Mayans O, Kovermann M
    What does fluorine do to a protein? Thermodynamic, and highly-resolved structural insights into fluorine-labelled variants of the cold shock protein
    Scientific Reports. 2020; 10(1): 2640 (12 pp.). https://doi.org/10.1038/s41598-020-59446-w
    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
  • Zhang B, Liu X, Lambert E, Mas G, Hiller S, Veening J-W, et al.
    Structure of a proton-dependent lipid transporter involved in lipoteichoic acids biosynthesis
    Nature Structural and Molecular Biology. 2020; 27(6): 561-569. https://doi.org/10.1038/s41594-020-0425-5
    DORA PSI
  • Zhou H, McGowan MA, Lipford K, Christopher M, Fradera X, Witter D, et al.
    Discovery and optimization of heteroaryl piperazines as potent and selective PI3Kδ inhibitors
    Bioorganic and Medicinal Chemistry Letters. 2020; 30(1): 126715 (8 pp.). https://doi.org/10.1016/j.bmcl.2019.126715
    DORA PSI
  • Škerlová J, Unterlass J, Göttmann M, Marttila P, Homan E, Helleday T, et al.
    Crystal structures of human PAICS reveal substrate and product binding of an emerging cancer target
    Journal of Biological Chemistry. 2020; 295(33): 11656-11668. https://doi.org/10.1074/jbc.RA120.013695
    DORA PSI
  • Alen J, Schade M, Wagener M, Christian F, Nordhoff S, Merla B, et al.
    Fragment-based discovery of novel potent sepiapterin reductase inhibitors
    Journal of Medicinal Chemistry. 2019; 62(13): 6391-6397. https://doi.org/10.1021/acs.jmedchem.9b00218
    DORA PSI
  • Antoshvili M, Caspy I, Hippler M, Nelson N
    Structure and function of photosystem I in Cyanidioschyzon merolae
    Photosynthesis Research. 2019; 139(1-3): 499-508. https://doi.org/10.1007/s11120-018-0501-4
    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
  • Bach J, Eastwood P, González J, Gómez E, Alonso JA, Fonquerna S, et al.
    Identification of 2-imidazopyridine and 2-aminopyridone purinones as potent pan-Janus kinase (JAK) inhibitors for the inhaled treatment of respiratory diseases
    Journal of Medicinal Chemistry. 2019; 62(20): 9045-9060. https://doi.org/10.1021/acs.jmedchem.9b00533
    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
  • Battistutta R, Lolli G
    Inhibitory properties of ATP-competitive coumestrol and boldine are correlated to different modulations of CK2 flexibility
    Journal of Natural Products. 2019; 82(4): 1014-1018. https://doi.org/10.1021/acs.jnatprod.8b00889
    DORA PSI
  • Blech M, Hörer S, Kuhn AB, Kube S, Göddeke H, Kiefer H, et al.
    Structure of a therapeutic full-length anti-NPRA IgG4 antibody: dissecting conformational diversity
    Biophysical Journal. 2019; 116(9): 1637-1649. https://doi.org/10.1016/j.bpj.2019.03.036
    DORA PSI
  • Bogdanovic X, Schneider S, Levanova N, Wirth C, Trillhaase C, Steinemann M, et al.
    A cysteine protease-like domain enhances the cytotoxic effects of the Photorhabdus asymbiotica toxin PaTox
    Journal of Biological Chemistry. 2019; 294(3): 1035-1044. https://doi.org/10.1074/jbc.RA118.005043
    DORA PSI
  • Bosshart PD, Kalbermatter D, Bonetti S, Fotiadis D
    Mechanistic basis of L-lactate transport in the SLC16 solute carrier family
    Nature Communications. 2019; 10(1): 2649 (11 pp.). https://doi.org/10.1038/s41467-019-10566-6
    DORA PSI
  • Buchstaller H-P, Anlauf U, Dorsch D, Kuhn D, Lehmann M, Leuthner B, et al.
    Discovery and optimization of 2-Arylquinazolin-4-ones into a potent and selective tankyrase inhibitor modulating Wnt pathway activity
    Journal of Medicinal Chemistry. 2019; 62(17): 7897-7909. https://doi.org/10.1021/acs.jmedchem.9b00656
    DORA PSI
  • Böttcher J, Dilworth D, Reiser U, Neumüller RA, Schleicher M, Petronczki M, et al.
    Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3
    Nature Chemical Biology. 2019; 15(8): 822-829. https://doi.org/10.1038/s41589-019-0310-x
    DORA PSI
  • Chaikuad A, Koschade SE, Stolz A, Zivkovic K, Pohl C, Shaid S, et al.
    Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2)
    Biochemical Journal. 2019; 476(5): 875-887. https://doi.org/10.1042/BCJ20190038
    DORA PSI
  • Colombano G, Caldwell JJ, Matthews TP, Bhatia C, Joshi A, McHardy T, et al.
    Binding to an unusual inactive kinase conformation by highly selective inhibitors of inositol-requiring enzyme 1α kinase-endoribonuclease
    Journal of Medicinal Chemistry. 2019; 62(5): 2447-2465. https://doi.org/10.1021/acs.jmedchem.8b01721
    DORA PSI
  • Cury NM, Mühlethaler T, Laranjeira ABA, Canevarolo RR, Zenatti PP, Lucena-Agell D, et al.
    Structural basis of colchicine-site targeting acylhydrazones active against multidrug-resistant acute lymphoblastic leukemia
    iScience. 2019; 21: 95-109. https://doi.org/10.1016/j.isci.2019.10.003
    DORA PSI
  • Damm-Ganamet KL, Arora N, Becart S, Edwards JP, Lebsack AD, McAllister HM, et al.
    Accelerating lead identification by high throughput virtual screening: prospective case studies from the pharmaceutical industry
    Journal of Chemical Information and Modeling. 2019; 59(5): 2046-2062. https://doi.org/10.1021/acs.jcim.8b00941
    DORA PSI
  • Dunne M, Rupf B, Tala M, Qabrati X, Ernst P, Shen Y, et al.
    Reprogramming bacteriophage host range through structure-guided design of chimeric receptor binding proteins
    Cell Reports. 2019; 29(5): 1336-1350.e4. https://doi.org/10.1016/j.celrep.2019.09.062
    DORA PSI
  • Ejby M, Guskov A, Pichler MJ, Zanten GC, Schoof E, Saburi W, et al.
    Two binding proteins of the ABC transporter that confers growth of Bifidobacterium animalis subsp. lactis ATCC27673 on β-mannan possess distinct manno-oligosaccharide-binding profiles
    Molecular Microbiology. 2019; 112(1): 114-130. https://doi.org/10.1111/mmi.14257
    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
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