Publications

PDB structures measured at X06DA

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

  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
    DORA PSI
  • Zeinyeh W, Esvan YJ, Josselin B, Defois M, Baratte B, Knapp S, et al.
    Synthesis and biological evaluation of Haspin inhibitors: Kinase inhibitory potency and cellular activity
    European Journal of Medicinal Chemistry. 2022; 236: 114369 (11 pp.). https://doi.org/10.1016/j.ejmech.2022.114369
    DORA PSI
  • Zhang C, Yang F, Wojdyla JA, Qin B, Zhang W, Zheng M, et al.
    An anti-picornaviral strategy based on the crystal structure of foot-and-mouth disease virus 2C protein
    Cell Reports. 2022; 40(1): 111030 (21 pp.). https://doi.org/10.1016/j.celrep.2022.111030
    DORA PSI
  • Abraham ET, Oecal S, Mörgelin M, Schmid PWN, Buchner J, Baumann U, et al.
    Collagen's primary structure determines collagen:HSP47 complex stoichiometry
    Journal of Biological Chemistry. 2021; 297(6): 101169 (13 pp.). https://doi.org/10.1016/j.jbc.2021.101169
    DORA PSI
  • Abrami L, Audagnotto M, Ho S, Marcaida MJ, Mesquita FS, Anwar MU, et al.
    Palmitoylated acyl protein thioesterase APT2 deforms membranes to extract substrate acyl chains
    Nature Chemical Biology. 2021; 17(4): 438-447. https://doi.org/10.1038/s41589-021-00753-2
    DORA PSI
  • Adhireksan Z, Sharma D, Lee PL, Bao Q, Padavattan S, Shum WK, et al.
    Engineering nucleosomes for generating diverse chromatin assemblies
    Nucleic Acids Research. 2021; 49(9): E52 (12 pp.). https://doi.org/10.1093/nar/gkab070
    DORA PSI
  • Aeschimann W, Kammer S, Staats S, Schneider P, Schneider G, Rimbach G, et al.
    Engineering of a functional γ-tocopherol transfer protein
    Redox Biology. 2021; 38: 101773 (11 pp.). https://doi.org/10.1016/j.redox.2020.101773
    DORA PSI
  • Alali A, Zhang L, Li J, Zuo C, Wassouf D, Yan X, et al.
    Biosynthesis of the tricyclic aromatic type II polyketide rishirilide: new potential third ring oxygenation after three cyclization steps
    Molecular Biotechnology. 2021; 23: 502-514. https://doi.org/10.1007/s12033-021-00314-x
    DORA PSI
  • Alvigini L, Gran-Scheuch A, Guo Y, Trajkovic M, Saifuddin M, Fraaije MW, et al.
    Discovery, biocatalytic exploration and structural analysis of a 4-ethylphenol oxidase from Gulosibacter chungangensis
    ChemBioChem. 2021; 22(22): 3225-3233. https://doi.org/10.1002/cbic.202100457
    DORA PSI
  • Axer A, Jumde RP, Adam S, Faust A, Schäfers M, Fobker M, et al.
    Enhancing glycan stability via site-selective fluorination: modulating substrate orientation by molecular design
    Chemical Science. 2021; 12(4): 1286-1294. https://doi.org/10.1039/D0SC04297H
    DORA PSI
  • Baeriswyl S, Personne H, Di Bonaventura I, Köhler T, Van Delden C, Stocker A, et al.
    A mixed chirality α-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography
    RSC Chemical Biology. 2021; 2(6): 1608-1617. https://doi.org/10.1039/d1cb00124h
    DORA PSI
  • Bailleul G, Nicoll CR, Mascotti ML, Mattevi A, Fraaije MW
    Ancestral reconstruction of mammalian FMO1 enables structural determination, revealing unique features that explain its catalytic properties
    Journal of Biological Chemistry. 2021; 296: 100221 (13 pp.). https://doi.org/10.1074/jbc.RA120.016297
    DORA PSI
  • Banaś AM, Bocian-Ostrzycka KM, Dunin-Horkawicz S, Ludwiczak J, Wilk P, Orlikowska M, et al.
    Interplay between DsbA1, DsbA2 and C8J_1298 periplasmic oxidoreductases of Campylobacter jejuni and their impact on bacterial physiology and pathogenesis
    International Journal of Molecular Sciences. 2021; 22(24): 13451 (37 pp.). https://doi.org/10.3390/ijms222413451
    DORA PSI
  • Basler S, Studer S, Zou Y, Mori T, Ota Y, Camus A, et al.
    Efficient Lewis acid catalysis of an abiological reaction in a de novo protein scaffold
    Nature Chemistry. 2021; 13(3): 231-235. https://doi.org/10.1038/s41557-020-00628-4
    DORA PSI
  • Bauer V, Schmidtgall B, Gógl G, Dolenc J, Osz J, Nominé Y, et al.
    Conformational editing of intrinsically disordered protein by α-methylation
    Chemical Science. 2021; 12(3): 1080-1089. https://doi.org/10.1039/D0SC04482B
    DORA PSI
  • Brullo C, Rapetti F, Abbate S, Prosdocimi T, Torretta A, Semrau M, et al.
    Design, synthesis, biological evaluation and structural characterization of novel GEBR library PDE4D inhibitors
    European Journal of Medicinal Chemistry. 2021; 223: 113638 (13 pp.). https://doi.org/10.1016/j.ejmech.2021.113638
    DORA PSI
  • Böhringer N, Green R, Liu Y, Mettal U, Marner M, Modaresi SM, et al.
    Mutasynthetic production and antimicrobial characterization of darobactin analogs
    Microbiology Spectrum. 2021; 9(3): e01535 (14 pp.). https://doi.org/10.1128/SPECTRUM.01535-21
    DORA PSI
  • Chaoprasid P, Lukat P, Mühlen S, Heidler T, Gazdag E-M, Dong S, et al.
    Crystal structure of bacterial cytotoxic necrotizing factor CNFY reveals molecular building blocks for intoxication
    EMBO Journal. 2021; 40(4): e105202 (21 pp.). https://doi.org/10.15252/embj.2020105202
    DORA PSI
  • Conrady MC, Suarez I, Gogl G, Frecot DI, Bonhoure A, Kostmann C, et al.
    Structure of high-risk papillomavirus 31 E6 oncogenic protein and characterization of E6/E6AP/p53 complex formation
    Journal of Virology. 2021; 95(2): e00730-20 (15 pp.). https://doi.org/10.1128/JVI.00730-20
    DORA PSI
  • De Zitter E, Hugelier S, Duwé S, Vandenberg W, Tebo AG, Van Meervelt L, et al.
    Structure–function dataset reveals environment effects within a fluorescent protein model system
    Angewandte Chemie International Edition. 2021; 60(18): 10073-10081. https://doi.org/10.1002/anie.202015201
    DORA PSI
  • Deng X, Salgado-Polo F, Shao T, Xiao Z, Van R, Chen J, et al.
    Imaging autotaxin in vivo with 18F-labeled positron emission tomography ligands
    Journal of Medicinal Chemistry. 2021; 64(20): 15053-15068. https://doi.org/10.1021/acs.jmedchem.1c00913
    DORA PSI
  • Diwo M, Michel W, Aurass P, Kuhle-Keindorf K, Pippel J, Krausze J, et al.
    NAD(H)-mediated tetramerization controls the activity of Legionella pneumophila phospholipase PlaB
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2021; 118(23): e2017046118 (10 pp.). https://doi.org/10.1073/pnas.2017046118
    DORA PSI
  • Dolbois A, Bedi RK, Bochenkova E, Müller A, Moroz-Omori EV, Huang D, et al.
    1,4,9-triazaspiro[5.5]undecan-2-one derivatives as potent and selective METTL3 inhibitors
    Journal of Medicinal Chemistry. 2021; 64(17): 12738-12760. https://doi.org/10.1021/acs.jmedchem.1c00773
    DORA PSI
  • Donohoue PD, Pacesa M, Lau E, Vidal B, Irby MJ, Nyer DB, et al.
    Conformational control of Cas9 by CRISPR hybrid RNA-DNA guides mitigates off-target activity in T cells
    Molecular Cell. 2021; 81(17): 3637-3649.e5. https://doi.org/10.1016/j.molcel.2021.07.035
    DORA PSI
  • Friedrich N, Stiegeler E, Glögl M, Lemmin T, Hansen S, Kadelka C, et al.
    Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization
    Nature Communications. 2021; 12(1): 6705 (18 pp.). https://doi.org/10.1038/s41467-021-27075-0
    DORA PSI
  • Gogl G, Tugaeva KV, Eberling P, Kostmann C, Trave G, Sluchanko NN
    Hierarchized phosphotarget binding by the seven human 14-3-3 isoforms
    Nature Communications. 2021; 12(1): 1677 (12 pp.). https://doi.org/10.1038/s41467-021-21908-8
    DORA PSI
  • Hahn CJ, Lemaire ON, Kahnt J, Engilberge S, Wegener G, Wagner T
    Crystal structure of a key enzyme for anaerobic ethane activation
    Science. 2021; 373(6550): 118-121. https://doi.org/10.1126/science.abg1765
    DORA PSI
  • Hartmann M, Bibli S-I, Tews D, Ni X, Kircher T, Kramer JS, et al.
    Combined cardioprotective and adipocyte browning effects promoted by the eutomer of dual sEH/PPARγ modulator
    Journal of Medicinal Chemistry. 2021; 64(5): 2815-2828. https://doi.org/10.1021/acs.jmedchem.0c02063
    DORA PSI
  • Hassan M, Baussière F, Guzelj S, Sundin AP, Håkansson M, Kovačič R, et al.
    Structure-guided design of d-galactal derivatives with high affinity and selectivity for the galectin-8 N-terminal domain
    ACS Medicinal Chemistry Letters. 2021; 12(11): 1745-1752. https://doi.org/10.1021/acsmedchemlett.1c00371
    DORA PSI
  • Hatzopoulos GN, Kükenshöner T, Banterle N, Favez T, Flückiger I, Hamel V, et al.
    Tuning SAS-6 architecture with monobodies impairs distinct steps of centriole assembly
    Nature Communications. 2021; 12(1): 3805 (14 pp.). https://doi.org/10.1038/s41467-021-23897-0
    DORA PSI
  • Hermann J, Bischoff D, Grob P, Janowski R, Hekmat D, Niessing D, et al.
    Controlling protein crystallization by free energy guided design of interactions at crystal contacts
    Crystals. 2021; 11(6): 588 (18 pp.). https://doi.org/10.3390/cryst11060588
    DORA PSI
  • Iacovino LG, Pinzi L, Facchetti G, Bortolini B, Christodoulou MS, Binda C, et al.
    Promising non-cytotoxic monosubstituted chalcones to target monoamine oxidase-B
    ACS Medicinal Chemistry Letters. 2021; 12(7): 1151-1158. https://doi.org/10.1021/acsmedchemlett.1c00238
    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
  • Kannt A, Rajagopal S, Hallur MS, Swamy I, Kristam R, Dhakshinamoorthy S, et al.
    Novel inhibitors of nicotinamide-N-methyltransferase for the treatment of metabolic disorders
    Molecules. 2021; 26(4): 991 (22 pp.). https://doi.org/10.3390/molecules26040991
    DORA PSI
  • Kitagawa H, Kikuchi M, Sato S, Watanabe H, Umezawa N, Kato M, et al.
    Structure-based identification of potent lysine-specific demethylase 1 inhibitor peptides and temporary cyclization to enhance proteolytic stability and cell growth-inhibitory activity
    Journal of Medicinal Chemistry. 2021; 64(7): 3707-3719. https://doi.org/10.1021/acs.jmedchem.0c01371
    DORA PSI
  • Kroupova A, Ackle F, Asanović I, Weitzer S, Boneberg FM, Faini M, et al.
    Molecular architecture of the human tRNA ligase complex
    eLife. 2021; 10: e71656 (28 pp.). https://doi.org/10.7554/eLife.71656
    DORA PSI
  • Kröger P, Shanmugaratnam S, Ferruz N, Schweimer K, Höcker B
    A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF
    Structure. 2021; 29(5): 433-443. https://doi.org/10.1016/j.str.2020.12.005
    DORA PSI
  • Krüger B, Galuskin EV, Galuskina IO, Krüger H, Vapnik Y
    Kahlenbergite KAl11O17, a new β-alumina mineral and Fe-rich hibonite from the Hatrurim Basin, the Negev desert, Israel
    European Journal of Mineralogy. 2021; 33(4): 341-355. https://doi.org/10.5194/ejm-33-341-2021
    DORA PSI
  • Lemaire ON, Wagner T
    Gas channel rerouting in a primordial enzyme: structural insights of the carbon-monoxide dehydrogenase/acetyl-CoA synthase complex from the acetogen Clostridium autoethanogenum
    Biochimica et Biophysica Acta: Bioenergetics. 2021; 1862(1): 148330 (14 pp.). https://doi.org/10.1016/j.bbabio.2020.148330
    DORA PSI
  • Li Y, Bedi RK, Wiedmer L, Sun X, Huang D, Caflisch A
    Atomistic and thermodynamic analysis of N6-methyladenosine (m6A) recognition by the reader domain of YTHDC1
    Journal of Chemical Theory and Computation. 2021; 17(2): 1240-1249. https://doi.org/10.1021/acs.jctc.0c01136
    DORA PSI
  • Lillich FF, Willems S, Ni X, Kilu W, Borkowsky C, Brodsky M, et al.
    Structure-based design of dual partial peroxisome proliferator-activated receptor γ agonists/soluble epoxide hydrolase inhibitors
    Journal of Medicinal Chemistry. 2021; 64(23): 17259-17276. https://doi.org/10.1021/acs.jmedchem.1c01331
    DORA PSI
  • Marek M, Ramos-Morales E, Picchi-Constante GFA, Bayer T, Norström C, Herp D, et al.
    Species-selective targeting of pathogens revealed by the atypical structure and active site of Trypanosoma cruzi histone deacetylase DAC2
    Cell Reports. 2021; 37(12): 110129 (26 pp.). https://doi.org/10.1016/j.celrep.2021.110129
    DORA PSI
  • Markova K, Kunka A, Chmelova K, Havlasek M, Babkova P, Marques SM, et al.
    Computational enzyme stabilization can affect folding energy landscapes and lead to catalytically enhanced domain-swapped dimers
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