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Publications

X06DA PDB Structure Gallery from BioSync

PDB structures measured at X06DA

PXIII Publications

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
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    Structural basis of O-methylation of (2-heptyl-)1-hydroxyquinolin-4(1H)-one and related compounds by the heterocyclic toxin methyltransferase Rv0560c of Mycobacterium tuberculosis
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    Structural basis for the design of bisubstrate inhibitors of protein kinase CK2 provided by complex structures with the substrate-competitive inhibitor heparin
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    Interrogating the role of the two distinct fructose-bisphosphate aldolases of Bacillus methanolicus by site-directed mutagenesis of key amino acids and gene repression by CRISPR interference
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    4-acyl pyrrole capped HDAC inhibitors: a new scaffold for hybrid inhibitors of BET proteins and histone deacetylases as antileukemia drug leads
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    Fragment-screening and automation at the Swiss Light Source macromolecular crystallography beamlines
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    A rational blueprint for the design of chemically-controlled protein switches
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    Reciprocal growth control by competitive binding of nucleotide second messengers to a metabolic switch in Caulobacter crescentus
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    Divalent cations influence the dimerization mode of murine S100A9 protein by modulating its disulfide bond pattern
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    Towards photochromic azobenzene-based inhibitors for tryptophan synthase
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  • Soh Y-M, Basquin J, Gruber S
    A rod conformation of the Pyrococcus furiosus Rad50 coiled coil
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    A dual anchoring strategy for the directed evolution of improved artificial transfer hydrogenases based on carbonic anhydrase
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    Mg(H2O)2[TeO2(OH)4]: a polytypic structure with a two-mode disordered stacking arrangement
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    Allosteric drug transport mechanism of multidrug transporter AcrB
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    Activation mechanism of a small prototypic Rec-GGDEF diguanylate cyclase
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    Structure-based design of selective salt-inducible kinase inhibitors
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    NeutrobodyPlex—monitoring SARS-CoV-2 neutralizing immune responses using nanobodies
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    Transfer of a rational crystal contact engineering strategy between diverse alcohol dehydrogenases
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    Structure-activity relationship and mode-of-action studies highlight 1-(4-biphenylylmethyl)-1H-imidazole-derived small molecules as potent CYP121 inhibitors
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    Development of a potent and selective chemical probe for the pleiotropic kinase CK2
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  • Wiese JG, Shanmugaratnam S, Höcker B
    Extension of a de novo TIM barrel with a rationally designed secondary structure element
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    Novel bicyclic pyrazoles as potent ALK2 (R206H) inhibitors for the treatment of fibrodysplasia ossificans progressiva
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    1,3-benzodioxole-modified noscapine analogues: synthesis, antiproliferative activity, and tubulin-bound structure
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    Latency, thermal stability, and identification of an inhibitory compound of mirolysin, a secretory protease of the human periodontopathogen Tannerella forsythia
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    Structure of trypanosome coat protein VSGsur and function in suramin resistance
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    A [3Cu:2S] cluster provides insight into the assembly and function of the CuZ site of nitrous oxide reductase
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    Histidine-gated proton-coupled electron transfer to the CuA site of nitrous oxide reductase
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    High-resolution structure and biophysical characterization of the nucleocapsid phosphoprotein dimerization domain from the Covid-19 severe acute respiratory syndrome coronavirus 2
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    CCA-addition in the cold: structural characterization of the psychrophilic CCA-adding enzyme from the permafrost bacterium Planococcus halocryophilus
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    Approaching boiling point stability of an alcohol dehydrogenase through computationally-guided enzyme engineering
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    Near-atomic resolution structures of interdigitated nucleosome fibres
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    The ABC exporter IrtAB imports and reduces mycobacterial siderophores
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    Two RNA tunnel inhibitors bind in highly conserved sites in dengue virus NS5 polymerase: structural and functional studies
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    Expanding the application range of microbial oxidoreductases by an alcohol dehydrogenase from Comamonas testosteroni with a broad substrate spectrum and pH profile
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    Selectively disrupting m6A-dependent protein-RNA interactions with fragments
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    Small-molecule inhibitors of METTL3, the major human epitranscriptomic writer
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    Structural basis for the recognition of transiently structured AU-rich elements by Roquin
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    'Drc', a structurally novel ssDNA-binding transcription regulator of N4-related bacterial viruses
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    Modulation of the Erwinia ligand-gated ion channel (ELIC) and the 5-HT3 receptor via a common vestibule site
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    Structure-based macrocyclization of substrate analogue NS2B-NS3 protease inhibitors of Zika, West Nile and dengue viruses
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    Structural and functional insights into CWC27/CWC22 heterodimer linking the exon junction complex to spliceosomes
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    Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion
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  • Chiniadis L, Bratsos I, Bethanis K, Karpusas M, Giastas P, Papakyriakou A
    High-resolution crystal structures of a "half sandwich"-type Ru(II) coordination compound bound to hen egg-white lysozyme and proteinase K
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    One-step synthesis at room temperature of low dimensional perovskite single crystals with high optical quality
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  • Cottee MA, Letham SC, Young GR, Stoye JP, Taylor IA
    Structure of Drosophila melanogaster ARC1 reveals a repurposed molecule with characteristics of retroviral Gag
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    Hitting a moving target: simulation and crystallography study of ATAD2 bromodomain blockers
    ACS Medicinal Chemistry Letters. 2020; 11(8): 1573-1580. https://doi.org/10.1021/acsmedchemlett.0c00080
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