Publications

PDB structures measured at X10SA


 

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

  • Beale JH, Marsh ME
    Optimizing the growth of endothiapepsin crystals for serial crystallography experiments
    Journal of Visualized Experiments. 2021; 168: e61896 (30 pp.). https://doi.org/10.3791/61896
    DORA PSI
  • Fujimoto K, Yoshida S, Tadano G, Asada N, Fuchino K, Suzuki S, et al.
    Structure-based approaches to improving selectivity through utilizing explicit water molecules: discovery of selective β-secretase (BACE1) inhibitors over BACE2
    Journal of Medicinal Chemistry. 2021; 64(6): 3075-3085. https://doi.org/10.1021/acs.jmedchem.0c01858
    DORA PSI
  • Hart P 't., Hommen P, Noisier A, Krzyzanowski A, Schüler D, Porfetye AT, et al.
    Structure based design of bicyclic Peptide inhibitors of RbAp48
    Angewandte Chemie International Edition. 2021; 60(4): 1813-1820. https://doi.org/10.1002/anie.202009749
    DORA PSI
  • Herud-Sikimić O, Stiel AC, Kolb M, Shanmugaratnam S, Berendzen KW, Feldhaus C, et al.
    A biosensor for the direct visualization of auxin
    Nature. 2021; 592: 768-772. https://doi.org/10.1038/s41586-021-03425-2
    DORA PSI
  • Jiang B, Jiang J, Kaltheuner IH, Iniguez AB, Anand K, Ferguson FM, et al.
    Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma
    European Journal of Medicinal Chemistry. 2021; 221: 113481 (16 pp.). https://doi.org/10.1016/j.ejmech.2021.113481
    DORA PSI
  • Johansson E, Wu X, Yu B, Yang Z, Cao Z, Wiberg C, et al.
    Insulin binding to the analytical antibody sandwich pair OXI‐005 and HUI‐018: epitope mapping and binding properties
    Protein Science. 2021; 30(2): 485-496. https://doi.org/10.1002/pro.4009
    DORA PSI
  • Larraufie M-H, Gao X, Xia X, Devine PJ, Kallen J, Liu D, et al.
    Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury
    Cell Chemical Biology. 2021. https://doi.org/10.1016/j.chembiol.2021.04.001
    DORA PSI
  • Markert C, Thoma G, Srinivas H, Bollbuck B, Lüönd RM, Miltz W, et al.
    Discovery of LYS006, a potent and highly selective inhibitor of leukotriene A4 hydrolase
    Journal of Medicinal Chemistry. 2021; 64(4): 1889-1903. https://doi.org/10.1021/acs.jmedchem.0c01955
    DORA PSI
  • Ramharter J, Kessler D, Ettmayer P, Hofmann MH, Gerstberger T, Gmachl M, et al.
    One atom makes all the difference: Getting a foot in the door between SOS1 and KRAS
    Journal of Medicinal Chemistry. 2021; 64(10): 6569-6580. https://doi.org/10.1021/acs.jmedchem.0c01949
    DORA PSI
  • Rueeger H, Lueoend R, Machauer R, Veenstra SJ, Holzer P, Hurth K, et al.
    Synthesis of the potent, selective, and efficacious β-secretase (BACE1) inhibitor NB-360
    Journal of Medicinal Chemistry. 2021; 64(8): 4677-4696. https://doi.org/10.1021/acs.jmedchem.0c02143
    DORA PSI
  • Röhrig UF, Majjigapu SR, Reynaud A, Pojer F, Dilek N, Reichenbach P, et al.
    Azole-based indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors
    Journal of Medicinal Chemistry. 2021; 64(4): 2205-2227. https://doi.org/10.1021/acs.jmedchem.0c01968
    DORA PSI
  • Schutzius G, Kolter C, Bergling S, Tortelli F, Fuchs F, Renner S, et al.
    BET bromodomain inhibitors regulate keratinocyte plasticity
    Nature Chemical Biology. 2021; 17: 280-290. https://doi.org/10.1038/s41589-020-00716-z
    DORA PSI
  • Selim KA, Tremiño L, Marco-Marín C, Alva V, Espinosa J, Contreras A, et al.
    Functional and structural characterization of PII-like protein CutA does not support involvement in heavy metal tolerance and hints at a small-molecule carrying/signaling role
    FEBS Journal. 2021; 288(4): 1142-1162. https://doi.org/10.1111/febs.15464
    DORA PSI
  • Sheng Q, D'Alessio JA, Menezes DL, Karim C, Tang Y, Tam A, et al.
    PCA062, a P-cadherin targeting antibody-drug-conjugate, displays potent anti-tumor activity against P-cadherin-expressing malignancies
    Molecular Cancer Therapeutics. 2021. https://doi.org/10.1158/1535-7163.MCT-20-0708
    DORA PSI
  • Sherpa D, Chrustowicz J, Qiao S, Langlois CR, Hehl LA, Gottemukkala KV, et al.
    GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme
    Molecular Cell. 2021. https://doi.org/10.1016/j.molcel.2021.03.025
    DORA PSI
  • Sorigué D, Hadjidemetriou K, Blangy S, Gotthard G, Bonvalet A, Coquelle N, et al.
    Mechanism and dynamics of fatty acid photodecarboxylase
    Science. 2021; 372(6538): eabd5687 (11 pp.). https://doi.org/10.1126/science.abd5687
    DORA PSI
  • Thomson CG, Le Grand D, Dowling M, Beattie D, Elphick L, Faller M, et al.
    Development of autotaxin inhibitors: a series of tetrazole cinnamides
    Bioorganic and Medicinal Chemistry Letters. 2021; 31: 127663 (7 pp.). https://doi.org/10.1016/j.bmcl.2020.127663
    DORA PSI
  • Vara BA, Levi SM, Achab A, Candito DA, Fradera X, Lesburg CA, et al.
    Discovery of diaminopyrimidine carboxamide HPK1 inhibitors as preclinical immunotherapy tool compounds
    ACS Medicinal Chemistry Letters. 2021; 12(4): 653-661. https://doi.org/10.1021/acsmedchemlett.1c00096
    DORA PSI
  • Yu EC, Methot JL, Fradera X, Lesburg CA, Lacey BM, Siliphaivanh P, et al.
    Identification of potent reverse indazole inhibitors for HPK1
    ACS Medicinal Chemistry Letters. 2021; 12(3): 459-466. https://doi.org/10.1021/acsmedchemlett.0c00672
    DORA PSI
  • Adihou H, Gopalakrishnan R, Förster T, Guéret SM, Gasper R, Geschwindner S, et al.
    A protein tertiary structure mimetic modulator of the Hippo signalling pathway
    Nature Communications. 2020; 11(1): 5425 (10 pp.). https://doi.org/10.1038/s41467-020-19224-8
    DORA PSI
  • Ajam T, De I, Petkau N, Whelan G, Pena V, Eichele G
    Alternative catalytic residues in the active site of Esco acetyltransferases
    Scientific Reports. 2020; 10(1): 9828 (13 pp.). https://doi.org/10.1038/s41598-020-66795-z
    DORA PSI
  • 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; 63(10): 5102-5118. 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
  • Borreschmidt Hansen B, Jepsen TH, Larsen M, Sindet R, Vifian T, Nørreskov Burhardt M, et al.
    Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity
    Journal of Medicinal Chemistry. 2020; 63(3): 7008-7032. https://doi.org/10.1021/acs.jmedchem.0c00359
    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
  • 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. 2020; 287(5): 866-873. https://doi.org/10.1111/febs.15098
    DORA PSI
  • Cuozzo JW, Clark MA, Keefe AD, Kohlmann A, Mulvihill M, Ni H, et al.
    Novel autotaxin inhibitor for the treatment of idiopathic pulmonary fibrosis: a clinical candidate discovered using DNA-encoded chemistry
    Journal of Medicinal Chemistry. 2020; 63(14): 7840-7856. https://doi.org/10.1021/acs.jmedchem.0c00688
    DORA PSI
  • DeRatt LG, Pietsch EC, Tanner A, Shaffer P, Jacoby E, Wang W, et al.
    A carboxylic acid isostere screen of the DHODH inhibitor Brequinar
    Bioorganic and Medicinal Chemistry Letters. 2020; 30(22): 127589 (5 pp.). https://doi.org/10.1016/j.bmcl.2020.127589
    DORA PSI
  • Dengl S, Mayer K, Bormann F, Duerr H, Hoffmann E, Nussbaum B, et al.
    Format chain exchange (FORCE) for high-throughput generation of bispecific antibodies in combinatorial binder-format matrices
    Nature Communications. 2020; 11(1): 4974 (11 pp.). https://doi.org/10.1038/s41467-020-18477-7
    DORA PSI
  • Dodonova SO, Zhu F, Dienemann C, Taipale J, Cramer P
    Nucleosome-bound SOX2 and SOX11 structures elucidate pioneer factor function
    Nature. 2020; 580(7805): 669-672. https://doi.org/10.1038/s41586-020-2195-y
    DORA PSI
  • Drew SL, Thomas-Tran R, Beatty JW, Fournier J, Lawson KV, Miles DH, et al.
    Discovery of potent and selective PI3Kγ inhibitors
    Journal of Medicinal Chemistry. 2020; 63(19): 11235-11257. https://doi.org/10.1021/acs.jmedchem.0c01203
    DORA PSI
  • Du X, Moore J, Blank BR, Eksterowicz J, Sutimantanapi D, Yuen N, et al.
    Orally bioavailable small-molecule CD73 inhibitor (OP-5244) reverses immunosuppression through blockade of adenosine production
    Journal of Medicinal Chemistry. 2020; 63(18): 10433-10459. https://doi.org/10.1021/acs.jmedchem.0c01086
    DORA PSI
  • Ebenhoch R, Prinz S, Kaltwasser S, Mills DJ, Meinecke R, Rübbelke M, et al.
    A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2020; 117(50): 31838-31849. https://doi.org/10.1073/pnas.2013473117
    DORA PSI
  • Erdogan M, Fabritius A, Basquin J, Griesbeck O
    Targeted in situ protein diversification and intra-organelle validation in mammalian cells
    Cell Chemical Biology. 2020; 27(5): 610-621. https://doi.org/10.1016/j.chembiol.2020.02.004
    DORA PSI
  • Ernst C, Kayastha K, Koch T, Venceslau SS, Pereira IAC, Demmer U, et al.
    Structural and spectroscopic characterization of a HdrA-like subunit from Hyphomicrobium denitrificans
    FEBS Journal. 2020. https://doi.org/10.1111/febs.15505
    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
  • Fuchs A-L, Wurm JP, Neu A, Sprangers R
    Molecular basis of the selective processing of short mRNA substrates by the DcpS mRNA decapping enzyme
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2020; 117(32): 19237-19244. https://doi.org/10.1073/pnas.2009362117
    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; 59(17): 6881-6886. https://doi.org/10.1002/anie.201916272
    DORA PSI
  • Goepfert A, Lehmann S, Blank J, Kolbinger F, Rondeau JM
    Structural analysis reveals that the cytokine IL-17F forms a homodimeric complex with receptor IL-17RC to drive IL-17RA-independent signaling
    Immunity. 2020; 52(3): 499-512. https://doi.org/10.1016/j.immuni.2020.02.004
    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
  • 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
    Plant Journal. 2020; 102(1): 153-164. https://doi.org/10.1111/tpj.14619
    DORA PSI
  • Hu Z, Wang C, Glunz PW, Li J, Cheadle NL, Chen AY, et al.
    Discovery of a phenylpyrazole amide ROCK inhibitor as a tool molecule for in vivo studies
    Bioorganic and Medicinal Chemistry Letters. 2020; 30(21): 127495 (4 pp.). https://doi.org/10.1016/j.bmcl.2020.127495
    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; 2020:293-319. 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; 432(7): 2042-2054. https://doi.org/10.1016/j.jmb.2020.01.042
    DORA PSI
  • Hughes N, Erbel P, Bornancin F, Wiesmann C, Schiering N, Villard F, et al.
    Stabilizing inactive conformations of MALT1 as an effective approach to inhibit its protease activity
    Advanced Therapeutics. 2020; 3(9): 2000078 (8 pp.). https://doi.org/10.1002/adtp.202000078
    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
  • Katayama K, Ishii K, Tsuda E, Yotsumoto K, Hiramoto K, Suzuki M, et al.
    Discovery of novel histone lysine methyltransferase G9a/GLP (EHMT2/1) inhibitors: Design, synthesis, and structure-activity relationships of 2,4-diamino-6-methylpyrimidines
    Bioorganic and Medicinal Chemistry Letters. 2020; 30(20): 127475 (5 pp.). https://doi.org/10.1016/j.bmcl.2020.127475
    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
  • Knoepfel T, Nimsgern P, Jacquier S, Bourrel M, Vangrevelinghe E, Glatthar R, et al.
    Target-based identification and optimization of 5-indazol-5-yl pyridones as Toll-like receptor 7 and 8 antagonists using a biochemical TLR8 antagonist competition assay
    Journal of Medicinal Chemistry. 2020; 63(15): 8276-8295. https://doi.org/10.1021/acs.jmedchem.0c00130
    DORA PSI
  • Lampret O, Duan J, Hofmann E, Winkler M, Armstrong FA, Happe T
    The roles of long-range proton-coupled electron transfer in the directionality and efficiency of [FeFe]-hydrogenases
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2020; 117(34): 20520-20529. https://doi.org/10.1073/pnas.2007090117
    DORA PSI
  • Lategahn J, Hardick J, Grabe T, Niggenaber J, Jeyakumar K, Keul M, et al.
    Targeting Her2-insYVMA with covalent inhibitors - a focused compound screening and structure-based design approach
    Journal of Medicinal Chemistry. 2020; 63(20): 11725-11755. https://doi.org/10.1021/acs.jmedchem.0c00870
    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
  • Liu Y, Wu J, Zhou M, Chen W, Li D, Wang Z, et al.
    Discovery of 3-pyridyl isoindolin-1-one derivatives as potent, selective, and orally active aldosterone synthase (CYP11B2) inhibitors
    Journal of Medicinal Chemistry. 2020; 63(13): 6876-6897. https://doi.org/10.1021/acs.jmedchem.0c00233
    DORA PSI
  • Lorthiois E, Roache J, Barnes-Seeman D, Altmann E, Hassiepen U, Turner G, et al.
    Structure-based design and preclinical characterization of selective and orally bioavailable factor XIa inhibitors: demonstrating the power of an integrated S1 protease family approach
    Journal of Medicinal Chemistry. 2020; 63(15): 8088-8113. https://doi.org/10.1021/acs.jmedchem.0c00279
    DORA PSI
  • Lunk I, Litty FA, Hennig S, Vetter IR, Kotthaus J, Altmann KS, et al.
    Discovery of N-(4-Aminobutyl)-N′-(2-methoxyethyl)guanidine as the first selective, nonamino acid, catalytic site inhibitor of human dimethylarginine dimethylaminohydrolase-1 (hDDAH-1)
    Journal of Medicinal Chemistry. 2020; 63(1): 425-432. https://doi.org/10.1021/acs.jmedchem.9b01230
    DORA PSI
  • Lučić M, Svistunenko DA, Wilson MT, Chaplin AK, Davy B, Ebrahim A, et al.
    Serial femtosecond zero dose crystallography captures a water-free distal heme site in a dye‐decolourising peroxidase to reveal a catalytic role for an arginine in FeIV=O formation
    Angewandte Chemie International Edition. 2020; 59(48): 21656-21662. https://doi.org/10.1002/anie.202008622
    DORA PSI
  • Mainolfi N, Ehara T, Karki RG, Anderson K, Mac Sweeney A, Liao SM, et al.
    Discovery of 4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid (LNP023), a factor B inhibitor specifically designed to be applicable to treating a diverse array of complement mediated diseases
    Journal of Medicinal Chemistry. 2020; 63: 5697-5722. https://doi.org/10.1021/acs.jmedchem.9b01870
    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
  • Mehr A, Henneberg F, Chari A, Görlich D, Huyton T
    The copper(II)-binding tripeptide GHK, a valuable crystallization and phasing tag for macromolecular crystallography
    Acta Crystallographica Section D: Structural Biology. 2020; 76(12): 1222-1232. https://doi.org/10.1107/S2059798320013741
    DORA PSI
  • Mesrouze Y, Aguilar G, Bokhovchuk F, Martin T, Delaunay C, Villard F, et al.
    A new perspective on the interaction between the Vg/VGLL1-3 proteins and the TEAD transcription factors
    Scientific Reports. 2020; 10: 17442 (12 pp.). https://doi.org/10.1038/s41598-020-74584-x
    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
  • Mishra A, Castañeda TR, Bader E, Elshorst B, Cummings S, Scherer P, et al.
    Triantennary GalNAc molecular imaging probes for monitoring hepatocyte function in a rat model of nonalcoholic steatohepatitis
    Advanced Science. 2020; 7(24): 2002997 (9 pp.). https://doi.org/10.1002/advs.202002997
    DORA PSI
  • Niggenaber J, Heyden L, Grabe T, Muller MP, Lategahn J, Rauh D
    Complex crystal structures of EGFR with third-generation kinase inhibitors and simultaneously bound allosteric ligands
    ACS Medicinal Chemistry Letters. 2020; 11(12): 2484-2490. https://doi.org/10.1021/acsmedchemlett.0c00472
    DORA PSI
  • Nostadt R, Hilbert M, Nizam S, Rovenich H, Wawra S, Martin J, et al.
    A secreted fungal histidine- and alanine-rich protein regulates metal ion homeostasis and oxidative stress
    New Phytologist. 2020; 227(4): 1174-1188. https://doi.org/10.1111/nph.16606
    DORA PSI
  • Overdijk MB, Strumane K, Beurskens FJ, Ortiz Buijsse A, Vermot-Desroches C, Vuillermoz BS, et al.
    Dual epitope targeting and enhanced hexamerization by DR5 antibodies as a novel approach to induce potent antitumor activity through DR5 agonism
    Molecular Cancer Therapeutics. 2020; 19(10): 2126-2138. https://doi.org/10.1158/1535-7163.MCT-20-0044
    DORA PSI
  • Pantoom S, Konstantinidis G, Voss S, Han H, Hofnagel O, Li Z, et al.
    RAB33B recruits the ATG16L1 complex to the phagophore via a noncanonical RAB binding protein
    Autophagy. 2020. https://doi.org/10.1080/15548627.2020.1822629
    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
  • Pissot Soldermann C, Simic O, Renatus M, Erbel P, Melkko S, Wartmann M, et al.
    Discovery of potent, highly selective, and in vivo efficacious, allosteric MALT1 inhibitors by iterative scaffold morphing
    Journal of Medicinal Chemistry. 2020; 63(23): 14576-14593. https://doi.org/10.1021/acs.jmedchem.0c01245
    DORA PSI
  • Prati F, Buonfiglio R, Furlotti G, Cavarischia C, Mangano G, Picollo R, et al.
    Optimization of indazole-based GSK-3 inhibitors with mitigated hERG issue and in vivo activity in a mood disorder model
    ACS Medicinal Chemistry Letters. 2020; 11(5): 825-831. https://doi.org/10.1021/acsmedchemlett.9b00633
    DORA PSI
  • Pu Q, Zhang H, Guo L, Cheng M, Doty AC, Ferguson H, et al.
    Discovery of potent and orally available bicyclo[1.1.1]pentane-derived indoleamine-2,3-dioxygenase 1 (IDO1) inhibitors
    ACS Medicinal Chemistry Letters. 2020; 11(8): 1548-1554. https://doi.org/10.1021/acsmedchemlett.0c00195
    DORA PSI
  • Rai A, Bleimling N, Vetter IR, Goody RS
    The mechanism of activation of the actin binding protein EHBP1 by Rab8 family members
    Nature Communications. 2020; 11(1): 4187 (16 pp.). https://doi.org/10.1038/s41467-020-17792-3
    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 (29 pp.). https://doi.org/10.1083/jcb.201907083
    DORA PSI
  • Rübbelke M, Fiegen D, Bauer M, Binder F, Hamilton J, King J, et al.
    Locking mixed-lineage kinase domain-like protein in its auto-inhibited state prevents necroptosis
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2020; 117(52): 33272-33281. https://doi.org/10.1073/pnas.2017406117
    DORA PSI
  • Schmitz RA, Dietl A, Müller M, Berben T, Op Den Camp HJM, Barends TRM
    Structure of the 4-hydroxy-tetrahydrodipicolinate synthase from the thermoacidophilic methanotroph Methylacidiphilum fumariolicum SolV and the phylogeny of the aminotransferase pathway
    Acta Crystallographica Section F: Structural Biology and Crystallization Communications. 2020; 76: 199-208. https://doi.org/10.1107/S2053230X20005294
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