Publications

PDB structures measured at X06DA

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

  • Boiarska Z, Pérez-Peña H, Abel A-C, Marzullo P, Álvarez-Bernad B, Bonato F, et al.
    Maytansinol functionalization: towards useful probes for studying microtubule dynamics
    Chemistry: A European Journal. 2023; 29(5): e202203431 (12 pp.). https://doi.org/10.1002/chem.202203431
    DORA PSI
  • Busch MR, Rajendran C, Sterner R
    Structural and functional characterization of the ureidoacrylate amidohydrolase RutB from Escherichia coli
    Biochemistry. 2023; 62(3): 863-872. https://doi.org/10.1021/acs.biochem.2c00640
    DORA PSI
  • De Simone M, Alvigini L, Alonso-Cotchico L, Brissos V, Caroli J, Lucas MF, et al.
    Rationally guided improvement of NOV1 dioxygenase for the conversion of lignin-derived isoeugenol to vanillin
    Biochemistry. 2023; 62(2): 419-428. https://doi.org/10.1021/acs.biochem.2c00168
    DORA PSI
  • Estévez-Gallego J, Álvarez-Bernad B, Pera B, Wullschleger C, Raes O, Menche D, et al.
    Chemical modulation of microtubule structure through the laulimalide/peloruside site
    Structure. 2023; 31(1): 88-99.e5. https://doi.org/10.1016/j.str.2022.11.006
    DORA PSI
  • Lenza MP, Atxabal U, Nycholat C, Oyenarte I, Franconetti A, Quintana JI, et al.
    Structures of the inhibitory receptor siglec-8 in complex with a high-affinity sialoside analogue and a therapeutic antibody
    JACS Au. 2023; 3(1): 204-215. https://doi.org/10.1021/jacsau.2c00592
    DORA PSI
  • Rahimova R, Nogaret P, Huteau V, Gelin M, Clément DA, Labesse G, et al.
    Structure-based design, synthesis and biological evaluation of a NAD+ analogue targeting Pseudomonas aeruginosa NAD kinase
    FEBS Journal. 2023; 290(2): 482-501. https://doi.org/10.1111/febs.16604
    DORA PSI
  • Salgado-Polo F, Borza R, Matsoukas M-T, Marsais F, Jagerschmidt C, Waeckel L, et al.
    Autotaxin facilitates selective LPA receptor signaling
    Cell Chemical Biology. 2023; 30(1): 69-84.e14. https://doi.org/10.1016/j.chembiol.2022.12.006
    DORA PSI
  • Schenkmayerova A, Toul M, Pluskal D, Baatallah R, Gagnot G, Pinto GP, et al.
    Catalytic mechanism for Renilla-type luciferases
    Nature Catalysis. 2023; 6(1): 23-38. https://doi.org/10.1038/s41929-022-00895-z
    DORA PSI
  • Sorin MN, Di Maio A, Silva LM, Ebert D, Delannoy CP, Nguyen N-K, et al.
    Structural and functional analysis of natural capsid variants suggests sialic acid-independent entry of BK polyomavirus
    Cell Reports. 2023; 42(2): 112114 (18 pp.). https://doi.org/10.1016/j.celrep.2023.112114
    DORA PSI
  • Takase S, Hiroyama T, Shirai F, Maemoto Y, Nakata A, Arata M, et al.
    A specific G9a inhibitor unveils BGLT3 lncRNA as a universal mediator of chemically induced fetal globin gene expression
    Nature Communications. 2023; 14(1): 23 (18 pp.). https://doi.org/10.1038/s41467-022-35404-0
    DORA PSI
  • Abiko LA, Dias Teixeira R, Engilberge S, Grahl A, Mühlethaler T, Sharpe T, et al.
    Filling of a water-free void explains the allosteric regulation of the β1-adrenergic receptor by cholesterol
    Nature Chemistry. 2022; 14: 1133-1141. https://doi.org/10.1038/s41557-022-01009-9
    DORA PSI
  • Alsarraf HMAB, Ung KL, Johansen MD, Dimon J, Olieric V, Kremer L, et al.
    Biochemical, structural, and functional studies reveal that MAB_4324c from Mycobacterium abscessus is an active tandem repeat N‐acetyltransferase
    FEBS Letters. 2022; 596(12): 1516-1532. https://doi.org/10.1002/1873-3468.14360
    DORA PSI
  • Bereiter R, Renard E, Breuker K, Kreutz C, Ennifar E, Micura R
    1-deazaguanosine-modified RNA: the missing piece for functional RNA atomic mutagenesis
    Journal of the American Chemical Society. 2022; 144(23): 10344-10352. https://doi.org/10.1021/jacs.2c01877
    DORA PSI
  • Biebl MM, Delhommel F, Faust O, Zak KM, Agam G, Guo X, et al.
    NudC guides client transfer between the Hsp40/70 and Hsp90 chaperone systems
    Molecular Cell. 2022; 82(3): 555-569.e7. https://doi.org/10.1016/j.molcel.2021.12.031
    DORA PSI
  • Bleuler-Martinez S, Varrot A, Olieric V, Schubert M, Vogt E, Fetz C, et al.
    Structure–function relationship of a novel fucoside-binding fruiting body lectin from Coprinopsis cinerea exhibiting nematotoxic activity
    Glycobiology. 2022; 32(7): 600-615. https://doi.org/10.1093/glycob/cwac020
    DORA PSI
  • Bobrovs R, Basens EE, Drunka L, Kanepe I, Matisone S, Velins KK, et al.
    Exploring aspartic protease inhibitor binding to design selective antimalarials
    Journal of Chemical Information and Modeling. 2022; 62(13): 3263-3273. https://doi.org/10.1021/acs.jcim.2c00422
    DORA PSI
  • Bröker J, Waterson AG, Smethurst C, Kessler D, Böttcher J, Mayer M, et al.
    Fragment optimization of reversible binding to the switch II pocket on KRAS leads to a potent, in vivo active KRASG12C inhibitor
    Journal of Medicinal Chemistry. 2022; 65(21): 14614-14629. https://doi.org/10.1021/acs.jmedchem.2c01120
    DORA PSI
  • Burnett GL, Yang YC, Aggen JB, Pitzen J, Gliedt MK, Semko CM, et al.
    Discovery of RMC-5552, a selective bi-steric inhibitor of mTORC1, for the treatment of mTORC1-activated tumors
    Journal of Medicinal Chemistry. 2022; 66(1): 149-169. https://doi.org/10.1021/acs.jmedchem.2c01658
    DORA PSI
  • Camus A, Truong G, Mittl PRE, Markert G, Hilvert D
    Reprogramming nonribosomal peptide synthetases for site-specific insertion of α-hydroxy acids
    Journal of the American Chemical Society. 2022; 144(38): 17567-17575. https://doi.org/10.1021/jacs.2c07013
    DORA PSI
  • Chaikuad A, Zhubi R, Tredup C, Knapp S
    Comparative structural analyses of the NHL domains from the human E3 ligase TRIM-NHL family
    IUCrJ. 2022; 9(6): 720-727. https://doi.org/10.1107/S2052252522008582
    DORA PSI
  • Chen P, Wojdyla JA, Colasanti O, Li Z, Qin B, Wang M, et al.
    Biochemical and structural characterization of hepatitis A virus 2C reveals an unusual ribonuclease activity on single-stranded RNA
    Nucleic Acids Research. 2022; 50(16): 9470-9489. https://doi.org/10.1093/nar/gkac671
    DORA PSI
  • Clark JM, Salgado-Polo F, Macdonald SJF, Barrett TN, Perrakis A, Jamieson C
    Structure-based design of a novel class of autotaxin inhibitors based on endogenous allosteric modulators
    Journal of Medicinal Chemistry. 2022; 65(8): 6338-6351. https://doi.org/10.1021/acs.jmedchem.2c00368
    DORA PSI
  • Collu G, Bierig T, Krebs A-S, Engilberge S, Varma N, Guixà-González R, et al.
    Chimeric single α-helical domains as rigid fusion protein connections for protein nanotechnology and structural biology
    Structure. 2022; 30(1): 95-106. https://doi.org/10.1016/j.str.2021.09.002
    DORA PSI
  • Conchou L, Doumèche B, Galisson F, Violot S, Dugelay C, Diesis E, et al.
    Structural and molecular determinants of Candida glabrata metacaspase maturation and activation by calcium
    Communications Biology. 2022; 5(1): 1158 (13 pp.). https://doi.org/10.1038/s42003-022-04091-4
    DORA PSI
  • Cousido-Siah A, Carneiro L, Kostmann C, Ecsedi P, Nyitray L, Trave G, et al.
    A scalable strategy to solve structures of PDZ domains and their complexes
    Acta Crystallographica Section D: Structural Biology. 2022; 78: 509-516. https://doi.org/10.1107/S2059798322001784
    DORA PSI
  • Cullati SN, Chaikuad A, Chen J-S, Gebel J, Tesmer L, Zhubi R, et al.
    Kinase domain autophosphorylation rewires the activity and substrate specificity of CK1 enzymes
    Molecular Cell. 2022; 82(11): 2006-2020.e8. https://doi.org/10.1016/j.molcel.2022.03.005
    DORA PSI
  • Dammann M, Stahlecker J, Zimmermann MO, Klett T, Rotzinger K, Kramer M, et al.
    Screening of a Halogen-Enriched Fragment Library leads to unconventional binding modes
    Journal of Medicinal Chemistry. 2022; 65(21): 14539-14552. https://doi.org/10.1021/acs.jmedchem.2c00951
    DORA PSI
  • De Vries T, Martelly W, Campagne S, Sabath K, Sarnowski CP, Wong J, et al.
    Sequence-specific RNA recognition by an RGG motif connects U1 and U2 snRNP for spliceosome assembly
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2022; 119(6): e2114092119 (11 pp.). https://doi.org/10.1073/pnas.2114092119
    DORA PSI
  • Ekström F, Gottinger A, Forsgren N, Catto M, Iacovino LG, Pisani L, et al.
    Dual reversible coumarin inhibitors mutually bound to monoamine oxidase B and acetylcholinesterase crystal structures
    ACS Medicinal Chemistry Letters. 2022; 13(3): 499-506. https://doi.org/10.1021/acsmedchemlett.2c00001
    DORA PSI
  • Fraley AE, Dieterich CL, Mabesoone MFJ, Minas HA, Meoded RA, Hemmerling F, et al.
    Structure of a promiscuous thioesterase domain responsible for branching acylation in polyketide biosynthesis
    Angewandte Chemie International Edition. 2022; 61(39): e202206385 (9 pp.). https://doi.org/10.1002/anie.202206385
    DORA PSI
  • Fruergaard MU, Dach I, Andersen JL, Ozol M, Shahsavar A, Quistgaard EM, et al.
    The Na+,K+-ATPase in complex with beryllium fluoride mimics an ATPase phosphorylated state
    Journal of Biological Chemistry. 2022; 298(9): 102317 (12 pp.). https://doi.org/10.1016/j.jbc.2022.102317
    DORA PSI
  • Galazzo L, Meier G, Januliene D, Parey K, De Vecchis D, Striednig B, et al.
    The ABC transporter MsbA adopts the wide inward-open conformation in E. coli cells
    Science Advances. 2022; 8(41): eabn6845 (14 pp.). https://doi.org/10.1126/sciadv.abn6845
    DORA PSI
  • García-Alija M, Du JJ, Ordóñez I, Diz-Vallenilla A, Moraleda-Montoya A, Sultana N, et al.
    Mechanism of cooperative N-glycan processing by the multi-modular endoglycosidase EndoE
    Nature Communications. 2022; 13(1): 1137 (17 pp.). https://doi.org/10.1038/s41467-022-28722-w
    DORA PSI
  • Gogl G, Zambo B, Kostmann C, Cousido-Siah A, Morlet B, Durbesson F, et al.
    Quantitative fragmentomics allow affinity mapping of interactomes
    Nature Communications. 2022; 13(1): 5472 (18 pp.). https://doi.org/10.1038/s41467-022-33018-0
    DORA PSI
  • Hermanns T, Pichlo C, Baumann U, Hofmann K
    A structural basis for the diverse linkage specificities within the ZUFSP deubiquitinase family
    Nature Communications. 2022; 13(1): 401 (14 pp.). https://doi.org/10.1038/s41467-022-28049-6
    DORA PSI
  • Herzog D, Jansen J, Mißun M, Diederichs K, Stengel F, Marx A
    Chemical proteomics of the tumor suppressor fhit covalently bound to the cofactor Ap3A elucidates its inhibitory action on translation
    Journal of the American Chemical Society. 2022; 144(19): 8613-8623. https://doi.org/10.1021/jacs.2c00815
    DORA PSI
  • Iacovino LG, Rossi M, Di Stefano G, Rossi V, Binda C, Brigotti M, et al.
    Allosteric transitions of rabbit skeletal muscle lactate dehydrogenase induced by pH-dependent dissociation of the tetrameric enzyme
    Biochimie. 2022; 199: 23-35. https://doi.org/10.1016/j.biochi.2022.03.008
    DORA PSI
  • Iijima D, Sugama H, Takahashi Y, Hirai M, Togashi Y, Xie J, et al.
    Discovery of SPH3127: a novel, highly potent, and orally active direct renin inhibitor
    Journal of Medicinal Chemistry. 2022; 65(16): 10882-10897. https://doi.org/10.1021/acs.jmedchem.2c00834
    DORA PSI
  • Jones AN, Tikhaia E, Mourão A, Sattler M
    Structural effects of m6A modification of the Xist A-repeat AUCG tetraloop and its recognition by YTHDC1
    Nucleic Acids Research. 2022; 50(4): 2350-2362. https://doi.org/10.1093/nar/gkac080
    DORA PSI
  • Juroszek R, Krüger B, Marciniak-Maliszewska B, Ternes B
    Minerals of the arctite supergroup from the Bellerberg volcano xenoliths, Germany
    Mineralogical Magazine. 2022; 86(6): 929-939. https://doi.org/10.1180/mgm.2022.103
    DORA PSI
  • Kaminski JW, Vera L, Stegmann DP, Vering J, Eris D, Smith KML, et al.
    Fast fragment- and compound-screening pipeline at the Swiss Light Source
    Acta Crystallographica Section D: Structural Biology. 2022; 78: 328-336. https://doi.org/10.1107/S2059798322000705
    DORA PSI
  • Koda Y, Sato S, Yamamoto H, Niwa H, Watanabe H, Watanabe C, et al.
    Design and synthesis of tranylcypromine-derived LSD1 inhibitors with improved hERG and microsomal stability profiles
    ACS Medicinal Chemistry Letters. 2022; 13(5): 848-854. https://doi.org/10.1021/acsmedchemlett.2c00120
    DORA PSI
  • Konietzny PB, Freytag J, Feldhof MI, Müller JC, Ohl D, Stehle T, et al.
    Synthesis of homo- and heteromultivalent fucosylated and sialylated oligosaccharide conjugates via preactivated N-methyloxyamine precision macromolecules and their binding to polyomavirus capsid protein
    Biomacromolecules. 2022; 23(12): 5273-5284. https://doi.org/10.1021/acs.biomac.2c01092
    DORA PSI
  • Krüger B, Galuskina IO, Galuskin EV, Vapnik Y, Murashko MN
    Khurayyimite Ca7Zn4(Si2O7)2(OH)10·4H2O: a mineral with unusual loop-branched sechser single chains
    Mineralogy and Petrology. 2022. https://doi.org/10.1007/s00710-022-00804-z
    DORA PSI
  • Lambey P, Otun O, Cong X, Hoh F, Brunel L, Verdié P, et al.
    Structural insights into recognition of chemokine receptors by Staphylococcus aureus leukotoxins
    eLife. 2022; 11: e72555 (29 pp.). https://doi.org/10.7554/eLife.72555
    DORA PSI
  • Landskron L, Bak J, Adamopoulos A, Kaplani K, Moraiti M, van den Hengel LG, et al.
    Posttranslational modification of microtubules by the MATCAP detyrosinase
    Science. 2022; 376(6595): abn6020 (13 pp.). https://doi.org/10.1126/science.abn6020
    DORA PSI
  • Li Y, Bedi RK, Nai F, von Roten V, Dolbois A, Zálešák F, et al.
    Structure-based design of ligands of the m6A-RNA reader YTHDC1
    European Journal of Medicinal Chemistry Reports. 2022; 5: 100057 (11 pp.). https://doi.org/10.1016/j.ejmcr.2022.100057
    DORA PSI
  • Margreiter MA, Witzenberger M, Wasser Y, Davydova E, Janowski R, Metz J, et al.
    Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death
    Computational and Structural Biotechnology Journal. 2022; 20: 443-458. https://doi.org/10.1016/j.csbj.2021.12.029
    DORA PSI
  • Marineau JJ, Hamman KB, Hu S, Alnemy S, Mihalich J, Kabro A, et al.
    Discovery of SY-5609: a selective, noncovalent inhibitor of CDK7
    Journal of Medicinal Chemistry. 2022; 65(2): 1458-1480. https://doi.org/10.1021/acs.jmedchem.1c01171
    DORA PSI
  • Marzullo P, Boiarska Z, Pérez-Peña H, Abel AC, Álvarez-Bernad B, Lucena-Agell D, et al.
    Maytansinol derivatives: side reactions as a chance for new tubulin binders
    Chemistry: A European Journal. 2022; 28(2): e202103520 (10 pp.). https://doi.org/10.1002/chem.202103520
    DORA PSI
  • Maso L, Vascon F, Chinellato M, Goormaghtigh F, Bellio P, Campagnaro E, et al.
    Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway
    Structure. 2022; 30(11): 1479-1493.e9. https://doi.org/10.1016/j.str.2022.09.004
    DORA PSI
  • Menna M, Fiorentino F, Marrocco B, Lucidi A, Tomassi S, Cilli D, et al.
    Novel non-covalent LSD1 inhibitors endowed with anticancer effects in leukemia and solid tumor cellular models
    European Journal of Medicinal Chemistry. 2022; 237: 114410 (23 pp.). https://doi.org/10.1016/j.ejmech.2022.114410
    DORA PSI
  • Mertens V, Abi Saad MJ, Coudevylle N, Wälti MA, Finke A, Marsh M, et al.
    Elucidation of a nutlin-derivative-HDM2 complex structure at the interaction site by NMR molecular replacement: a straightforward derivation
    Journal of Magnetic Resonance Open. 2022; 10-11: 100032 (5 pp.). https://doi.org/10.1016/j.jmro.2022.100032
    DORA PSI
  • Metzner FJ, Huber E, Hopfner K-P, Lammens K
    Structural and biochemical characterization of human Schlafen 5
    Nucleic Acids Research. 2022; 50(2): 1147-1161. https://doi.org/10.1093/nar/gkab1278
    DORA PSI
  • Miller RD, Iinishi A, Modaresi SM, Yoo B-K, Curtis TD, Lariviere PJ, et al.
    Computational identification of a systemic antibiotic for gram-negative bacteria
    Nature Microbiology. 2022; 7(10): 1661-1672. https://doi.org/10.1038/s41564-022-01227-4
    DORA PSI
  • Mishra K, Fuenzalida-Werner JP, Pennacchietti F, Janowski R, Chmyrov A, Huang Y, et al.
    Genetically encoded photo-switchable molecular sensors for optoacoustic and super-resolution imaging
    Nature Biotechnology. 2022; 40: 598-605. https://doi.org/10.1038/s41587-021-01100-5
    DORA PSI
  • Muckenfuss LM, Migenda Herranz AC, Boneberg FM, Clerici M, Jinek M
    Fip1 is a multivalent interaction scaffold for processing factors in human mRNA 3′ end biogenesis
    eLife. 2022; 11: e80332 (29 pp.). https://doi.org/10.7554/eLife.80332
    DORA PSI
  • Mühlethaler T, Milanos L, Ortega JA, Blum TB, Gioia D, Roy B, et al.
    Rational design of a novel tubulin inhibitor with a unique mechanism of action
    Angewandte Chemie International Edition. 2022; 61(25): e202204052 (11 pp.). https://doi.org/10.1002/anie.202204052
    DORA PSI
  • Nai F, Nachawati R, Zálešák F, Wang X, Li Y, Caflisch A
    Fragment ligands of the m6A-RNA reader YTHDF2
    ACS Medicinal Chemistry Letters. 2022; 13(9): 1500-1509. https://doi.org/10.1021/acsmedchemlett.2c00303
    DORA PSI
  • Napolitano V, Dabrowska A, Schorpp K, Mourão A, Barreto-Duran E, Benedyk M, et al.
    Acriflavine, a clinically approved drug, inhibits SARS-CoV-2 and other betacoronaviruses
    Cell Chemical Biology. 2022; 29(5): 774-784.e8. https://doi.org/10.1016/j.chembiol.2021.11.006
    DORA PSI
  • Niwa H, Watanabe C, Sato S, Harada T, Watanabe H, Tabusa R, et al.
    Structure-activity relationship and in silico evaluation of cis- and trans-PCPA-derived inhibitors of LSD1 and LSD2
    ACS Medicinal Chemistry Letters. 2022; 13(9): 1485-1492. https://doi.org/10.1021/acsmedchemlett.2c00294
    DORA PSI
  • Pacesa M, Loeff L, Querques I, Muckenfuss LM, Sawicka M, Jinek M
    R-loop formation and conformational activation mechanisms of Cas9
    Nature. 2022; 609: 191-196. https://doi.org/10.1038/s41586-022-05114-0
    DORA PSI
  • Pacesa M, Lin C-H, Cléry A, Saha A, Arantes PR, Bargsten K, et al.
    Structural basis for Cas9 off-target activity
    Cell. 2022; 185(22): 4067-4081.e21. https://doi.org/10.1016/j.cell.2022.09.026
    DORA PSI
  • Qiao Z, Kong Q, Tee WT, Lim ARQ, Teo MX, Olieric V, et al.
    Molecular basis of the key regulator WRINKLED1 in plant oil biosynthesis
    Science Advances. 2022; 8(34): eabq1211 (10 pp.). https://doi.org/10.1126/sciadv.abq1211
    DORA PSI
  • Qin B, Craven GB, Hou P, Chesti J, Lu X, Child ES, et al.
    Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease
    Acta Pharmaceutica Sinica B. 2022; 12(10): 3924-3933. https://doi.org/10.1016/j.apsb.2022.06.002
    DORA PSI
  • Ragotte RJ, Pulido D, Lias AM, Quinkert D, Alanine DGW, Jamwal A, et al.
    Heterotypic interactions drive antibody synergy against a malaria vaccine candidate
    Nature Communications. 2022; 13(1): 933 (12 pp.). https://doi.org/10.1038/s41467-022-28601-4
    DORA PSI
  • Ramanadane K, Straub MS, Dutzler R, Manatschal C
    Structural and functional properties of a magnesium transporter of the SLC11/NRAMP family
    eLife. 2022; 11: e74589 (29 pp.). https://doi.org/10.7554/eLife.74589
    DORA PSI
  • Roman A-O, Jimenez-Sandoval P, Augustin S, Broyart C, Hothorn LA, Santiago J
    HSL1 and BAM1/2 impact epidermal cell development by sensing distinct signaling peptides
    Nature Communications. 2022; 13(1): 876 (13 pp.). https://doi.org/10.1038/s41467-022-28558-4
    DORA PSI
  • Röhrig UF, Majjigapu SR, Vogel P, Reynaud A, Pojer F, Dilek N, et al.
    Structure-based optimization of type III indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors
    Journal of Enzyme Inhibition and Medicinal Chemistry. 2022; 37(1): 1773-1811. https://doi.org/10.1080/14756366.2022.2089665
    DORA PSI
  • Santos MFA, Sciortino G, Correia I, Fernandes ACP, Santos-Silva T, Pisanu F, et al.
    Binding of VIVO2+, VIVOL, VIVOL2 and VVO2L moieties to proteins: X-ray/theoretical characterization and biological implications
    Chemistry: A European Journal. 2022; 28(40): e202200105 (8 pp.). https://doi.org/10.1002/chem.202200105
    DORA PSI
  • Scaletti ER, Gustafsson Westergren R, Andersson Y, Wiita E, Henriksson M, Homan EJ, et al.
    The first structure of human MTHFD2L and its implications for the development of isoform-selective inhibitors
    ChemMedChem. 2022; 17(18): e202200274 (10 pp.). https://doi.org/10.1002/cmdc.202200274
    DORA PSI
  • Smith CR, Kulyk S, Ahmad MUD, Arkhipova V, Christensen JG, Gunn RJ, et al.
    Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits
    RSC Medicinal Chemistry. 2022; 13(12): 1549-1564. https://doi.org/10.1039/d2md00163b
    DORA PSI
  • Stahlecker J, Klett T, Schwer M, Jaag S, Dammann M, Ernst LN, et al.
    Revisiting a challenging p53 binding site: a diversity-optimized HEFLib reveals diverse binding modes in T-p53C-Y220C
    RSC Medicinal Chemistry. 2022; 13(12): 1557-1586. https://doi.org/10.1039/d2md00246a
    DORA PSI
  • Tan YB, Lello L S, Liu X, Law Y-S, Kang C, Lescar J, et al.
    Crystal structures of alphavirus nonstructural protein 4 (nsP4) reveal an intrinsically dynamic RNA-dependent RNA polymerase fold
    Nucleic Acids Research. 2022; 50(2): 1000-1016. https://doi.org/10.1093/nar/gkab1302
    DORA PSI
  • Veggi D, Malito E, Lo Surdo P, Pansegrau W, Rippa V, Wahome N, et al.
    Structural characterization of a cross-protective natural chimera of factor H binding protein from meningococcal serogroup B strain NL096
    Computational and Structural Biotechnology Journal. 2022; 20: 2070-2081. https://doi.org/10.1016/j.csbj.2022.04.011
    DORA PSI
  • Voss M, Hüppi S, Schaub D, Hayashi T, Ligibel M, Sager E, et al.
    Enzyme engineering enables inversion of substrate stereopreference of the halogenase WelO5*
    ChemCatChem. 2022; 14(24): e202201115 (7 pp.). https://doi.org/10.1002/cctc.202201115
    DORA PSI
  • Wang L, Moreira EA, Kempf G, Miyake Y, Oliveira Esteves BI, Fahmi A, et al.
    Disrupting the HDAC6-ubiquitin interaction impairs infection by influenza and Zika virus and cellular stress pathways
    Cell Reports. 2022; 39(4): 110736 (20 pp.). https://doi.org/10.1016/j.celrep.2022.110736
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