ALS-ENABLE Publications: 2024

177 publications from all four TOCs, listed in order from TOC1 – TOC4.

TOC1 — Rapid Response Crystallography (124)

  1. Victoria Angela Maola, Eric Yik, Mohammad Hajjar, Joy Lee. Directed evolution of a highly efficient TNA polymerase achieved by homologous recombination. Nature Catalysis. PMID not assigned; doi: 10.1038/s41929-024-01233-1. method MX · beamline 5.0.1
  2. Dai J, Izadi S, Zarzar J, Wu P, Oh A, Carter PJ. Variable domain mutational analysis to probe the molecular mechanisms of high viscosity of an IgG(1) antibody. MAbs. 2024 Jan-Dec;16(1):2304282. doi: 10.1080/19420862.2024.2304282. PubMed PMID: 38269489; PubMed Central PMCID: PMC10813588. method MX · beamline 5.0.2
  3. Huddy TF, Hsia Y, Kibler RD, Xu J, Bethel N, Nagarajan D, Redler R, Leung PJY, Weidle C, Courbet A, et al. Blueprinting extendable nanomaterials with standardized protein blocks. Nature. 2024;627(8005):898 – -904. PMID: 38480887. PMCID: PMC10972742. [also TOC2] method MX · beamline 8.2.1 · staff author: Banumathi Sankaran
  4. Liang WC, Xi H, Sun D, D’Ascenzo L, Zarzar J, Stephens N, et al. Structure- and machine learning-guided engineering demonstrate that a non-canonical disulfide in an anti-PD-1 rabbit antibody does not impede antibody developability. MAbs. 2024 Jan-Dec;16(1):2309685. doi: 10.1080/19420862.2024.2309685. PubMed PMID: 38356181; PubMed Central PMCID: PMC10877986. method MX · beamline 5.0.2
  5. McLaughlin K, Schwartz L, Norman J, Hasan S, Sankaran B. Abstract 2165 Investigating a Novel Carbohydrate Deacetylase Involved in Bacteroides Capsular Polysaccharide Biosynthesis. Journal of Biological Chemistry. 2024;300(3). method MX · beamline 8.2.2 · staff author: Banumathi Sankaran
  6. Nadar VS, Galván AE, Suzol SH, Howlader AH, Chen J, Dheeman DS, Yoshinaga-Sakurai K, Radhakrishnan M, Kandavelu P, Sankaran B, et al. Arsinothricin, an arsenic-containing non-proteinogenic amino acid analog of glutamate, is a potent broad-spectrum antibiotic. In: Arsenic in the Environment: Bridging Science to Practice for Sustainable Development As2021. CRC Press; 2024. p. 11–12. method MX beamline 8.2.2 · staff author: Banumathi Sankaran
  7. Reddi R, Chatterjee S, Matulef K, Gustafson A, Gao L, Valiyaveetil FI. A facile approach for incorporating tyrosine esters to probe ion-binding sites and backbone hydrogen bonds. J Biol Chem. 2024 Jan;300(1):105517. doi: 10.1016/j.jbc.2023.105517. Epub 2023 Nov 30. PMID: 38042487; PMCID: PMC10790091. method MX · beamline 4.2.2
  8. Sun Z, Lin H, Hu L, Neetu N, Sankaran B, Wang J, Prasad BVV, Palzkill T. Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops. J Biol Chem. 2024 Jan;300(1):105493. doi: 10.1016/j.jbc.2023.105493. Epub 2023 Nov 23. PMID: 38000656; PMCID: PMC10716778. BCSB, TOC1. method MX · beamline 8.2.1, 5.0.3 · staff author: Banumathi Sankaran
  9. Yirmiya E, Leavitt A, Lu A, Ragucci AE, Avraham C, Osterman I, et al. Phages overcome bacterial immunity via diverse anti-defence proteins. Nature. 2024 Jan;625(7994):352-359. doi: 10.1038/s41586-023-06869-w. PubMed PMID: 37992756. method MX · beamline 8.2.1
  10. Lin Q, Dai S, Qu L, Lin H, Guo M, Wei H, et al. Structural basis and selectivity of sulfatinib binding to FGFR and CSF-1R. Commun Chem. 2024 Jan 3;7(1):3. doi: 10.1038/s42004-023-01084-0. PubMed PMID: 38172256; PubMed Central PMCID: PMC10764862. method MX · beamline 5.0.2
  11. Vogel BA, Blount JM, Kodama HM, Goodwin-Rice NJ, Andaluz DJ, Jackson SN, et al. A unique binding mode of P1′ Leu-containing target sequences for Streptococcus pyogenes sortase A results in alternative cleavage. RSC Chem Biol. 2024 Jan 3;5(1):30-40. doi: 10.1039/d3cb00129f. PubMed PMID: 38179192; PubMed Central PMCID: PMC10763551. method MX · beamline 5.0.1
  12. Vernon TN, Terrell JR, Albrecht AV, Germann MW, Wilson WD, Poon GMK. Dissection of integrated readout reveals the structural thermodynamics of DNA selection by transcription factors. Structure. 2024 Jan 4;32(1):83-96.e4. doi: 10.1016/j.str.2023.11.003. PubMed PMID: 38042148; PubMed Central PMCID: PMC12924625. method MX · beamline 5.0.2
  13. Sun X, Ferguson JA, Leach BI, Stanfield RL, Dyson HJ, Wright PE. Probing the Dissociation Pathway of a Kinetically Labile Transthyretin Mutant. J Am Chem Soc. 2024 Jan 10;146(1):532-542. doi: 10.1021/jacs.3c10083. PubMed PMID: 38134439; PubMed Central PMCID: PMC10926950. method MX · beamline 5.0.3
  14. Park S, Fan J, Chamakuri S, Palaniappan M, Sharma K, Qin X, et al. Exploiting the Carboxylate-Binding Pocket of β-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library. J Med Chem. 2024 Jan 11;67(1):620-642. doi: 10.1021/acs.jmedchem.3c01834. PubMed PMID: 38117688; PubMed Central PMCID: PMC11489902. method MX · beamline 8.2.2 · staff author: Banumathi Sankaran
  15. Mao L, Shaabani N, Zhang X, Jin C, Xu W, Argent C, et al. Olgotrelvir, a dual inhibitor of SARS-CoV-2 M(pro) and cathepsin L, as a standalone antiviral oral intervention candidate for COVID-19. Med. 2024 Jan 12;5(1):42-61.e23. doi: 10.1016/j.medj.2023.12.004. PubMed PMID: 38181791. method MX · beamline 5.0.2
  16. Ruttenberg SM, Kreutzer AG, Truex NL, Nowick JS. β-Hairpin Alignment Alters Oligomer Formation in Aβ-Derived Peptides. Biochemistry. 2024 Jan 16;63(2):212-218. doi: 10.1021/acs.biochem.3c00526. PMID: 38163326; PMCID: PMC10795187. method MX · beamline 5.0.2
  17. Chen A, Re RN, Davis TD, Tran K, Moriuchi YW, Wu S, et al. Visualizing the Interface of Biotin and Fatty Acid Biosynthesis through SuFEx Probes. J Am Chem Soc. 2024 Jan 17;146(2):1388-1395. doi: 10.1021/jacs.3c10181. PubMed PMID: 38176024; PubMed Central PMCID: PMC12332981. method MX · beamline 8.2.1
  18. Liu C, Powell MM, Rao G, Britt RD, Rittle J. “Bioinformatic Discovery of a Cambialistic Monooxygenase.” Journal of the American Chemical Society 2024 Jan 24 ;146(3):1783-1788. TOC1. PMID: 38198693; PMCID: PMC10811679. method MX · ALS Enable beamline
  19. Sumida KH, Núñez-Franco R, Kalvet I, Pellock SJ, Wicky BIM, Milles LF, et al. Improving Protein Expression, Stability, and Function with ProteinMPNN. J Am Chem Soc. 2024 Jan 24;146(3):2054-2061. doi: 10.1021/jacs.3c10941. PubMed PMID: 38194293; PubMed Central PMCID: PMC10811672. beamline · staff author: Banumathi Sankaran
  20. Ghosh A, Delgado-Cunningham K, López T, Green K, Arias CF, DuBois RM. “Structure and antigenicity of the divergent human astrovirus VA1 capsid spike.” PLoS pathogens 2024 Feb ;20(2):e1012028. PMID: 38416796. PMCID: PMC10950212. method MX · beamline 5.0.1
  21. Hung LW, Terwilliger TC, Waldo GS, Nguyen HB. Engineering highly stable variants of Corynactis californica green fluorescent proteins. Protein Sci. 2024 Feb;33(2):e4886. doi: 10.1002/pro.4886. PMID: 38151801; PMCID: PMC10804665. BCSB, TOC1. method MX · beamline 5.0.1, 5.0.2
  22. Mason JW, Chow YT, Hudson L, Tutter A, Michaud G, Westphal MV, et al. DNA-encoded library-enabled discovery of proximity-inducing small molecules. Nat Chem Biol. 2024 Feb;20(2):170-179. doi: 10.1038/s41589-023-01458-4. PubMed PMID: 37919549; PubMed Central PMCID: PMC10917151. method MX · beamline 5.0.2
  23. Stanford SM, Nguyen TP, Chang J, Zhao Z, Hackman GL, Santelli E, Sanders CM, Katiki M, Dondossola E, Brauer BL, Diaz MA, Zhan Y, Ramsey SH, Watson PA, Sankaran B, Paindelli C, Parietti V, Mikos AG, Lodi A, Bagrodia A, Elliott A, McKay RR, Murali R, Tiziani S, Kettenbach AN, Bottini N. Targeting prostate tumor low-molecular weight tyrosine phosphatase for oxidation-sensitizing therapy. Sci Adv. 2024 Feb2;10(5):eadg7887. doi: 10.1126/sciadv.adg7887. Epub 2024 Jan 31. PMID: 38295166; PMCID: PMC10830117. method MX · beamline 8.2.1 · staff author: Banumathi Sankaran
  24. Alysia J Kohlbrand, Ryjul W Stokes, Banumathi Sankaran, Seth M Cohen Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants. Biochemistry. 2024 Feb 6;63(3):264- 272. doi: 10.1021/acs.biochem.3c00536. Epub 2024 Jan 8. PMID: 38190441 PMCID: PMC10851415 DOI: 10.1021/acs.biochem.3c00536. method MX · beamline 5.0.3, 8.2.1 · staff author: Banumathi Sankaran
  25. Hooks GM, Ayala JC, Holley CL, Dhulipala V, Beggs GA, Perfect JR, et al. Hormonal steroids induce multidrug resistance and stress response genes in Neisseria gonorrhoeae by binding to MtrR. Nat Commun. 2024 Feb 7;15(1):1153. doi: 10.1038/s41467-024-45195-1. PubMed PMID: 38326294; PubMed Central PMCID: PMC10850145. [also TOC3] method MX · beamline 5.0.1, 5.0.2, 5.0.3, 8.3.1
  26. Schumacher MA, Cannistraci E, Salinas R, Lloyd D, Messner E, Gozzi K. Structure of the WYL-domain containing transcription activator, DriD, in complex with ssDNA effector and DNA target site. Nucleic Acids Res. 2024 Feb 9;52(3):1435-1449. doi: 10.1093/nar/gkad1198. PMID: 38142455; PMCID:PMC10853764. method MX · beamline 5.0.2
  27. Xu J, Lei X, Li A, Li J, Li S, Chen L. Scalable production of recombinant three-finger proteins: from inclusion bodies to high quality molecular probes. Microb Cell Fact. 2024 Feb 12;23(1):48. doi: 10.1186/s12934-024-02316-1. PubMed PMID: 38347541; PubMed Central PMCID: PMC10860255. method MX · beamline 8.2.1
  28. Ding D, Fang Z, Kim SC, O’Flaherty DK, Jia X, Stone TB, Zhou L, Szostak JW. Unusual Base Pair between Two 2-Thiouridines and Its Implication for Nonenzymatic RNA Copying. J Am Chem Soc. 2024 Feb 14;146(6):3861-3871. doi: 10.1021/jacs.3c11158. Epub 2024 Jan 31. PMID: 38293747; PMCID: PMC10870715. method MX · beamline 2.0.1
  29. Thompson AJ, Wu NC, Canales A, Kikuchi C, Zhu X, de Toro BF, et al. Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site. Cell Host Microbe. 2024 Feb 14;32(2):261-275.e4. doi: 10.1016/j.chom.2024.01.003. PubMed PMID: 38307019; PubMed Central PMCID: PMC11057904. method MX · beamline 5.0.3
  30. Xu X, Herdendorf TJ, Duan H, Rohlik DL, Roy S, Zhou H, Alkhateeb H, Khandelwal S, Zhou Q, Li P, Arepally GM, Walker JK, Garcia BL, Geisbrecht BV. Inhibition of the C1s Protease and the Classical Complement Pathway by 6-(4-Phenylpiperazin-1-yl) Pyridine-3-Carboximidamide and Chemical Analogs. J Immunol. 2024 Feb 15;212(4):689-701. doi: 10.4049/jimmunol.2300630. PMID: 38149922; PMCID: PMC10872613. method MX · beamline 5.0.1
  31. Peng W, Garcia N, Servage KA, Kohler JJ, Ready JM, Tomchick DR, Fernandez J, Orth K. “Pseudomonas effector AvrB is a glycosyltransferase that rhamnosylates plant guardee protein RIN4.” Science advances 2024 Feb 16 ;10(7):eadd5108. PMID: 38354245. PMCID: PMC10866546. method MX · beamline BCSB · non-biomedical
  32. Robbins DW, Noviski MA, Tan YS, Konst ZA, Kelly A, Auger P, et al. Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton’s Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies. J Med Chem. 2024 Feb 22;67(4):2321-2336. doi: 10.1021/acs.jmedchem.3c01007. PubMed PMID: 38300987. method MX (from the beamline, not the text) · beamline 5.0.2
  33. Li FKK, Worrall LJ, Gale RT, Brown ED, Strynadka NCJ. Cryo-EM analysis of S. aureus TarL, a polymerase in wall teichoic acid biogenesis central to virulence and antibiotic resistance. Sci Adv. 2024 Mar;10(9):eadj3864. doi: 10.1126/sciadv.adj3864. PubMed PMID: 38416829; PubMed Central PMCID: PMC10901376. method MX · beamline 5.0.2
  34. Marcus K, Huang Y, Subramanian S, Gee CL, Gorday K, Ghaffari-Kashani S, et al. Autoinhibition of a clamp-loader ATPase revealed by deep mutagenesis and cryo-EM. Nat Struct Mol Biol. 2024 Mar;31(3):424-435. doi: 10.1038/s41594-023-01177-3. PubMed PMID: 38177685; PubMed Central PMCID: PMC10950542. method MX · beamline 5.0.1
  35. Gao S, Hou P, Oh J, Wang D, Greenberg MM. “Molecular Mechanism of RNA Polymerase II Transcriptional Mutagenesis by the Epimerizable DNA Lesion, Fapy·dG.” Journal of the American Chemical Society 2024 Mar 06 ;146(9):6274-6282. PMID: 38393762. PMCID: PMC10932878. method MX · beamline 5.0.1, 5.0.3
  36. d’Oelsnitz S, Diaz DJ, Kim W, Acosta DJ, Dangerfield TL, Schechter MW, et al. Biosensor and machine learning-aided engineering of an amaryllidaceae enzyme. Nat Commun. 2024 Mar 7;15(1):2084. doi: 10.1038/s41467-024-46356-y. PubMed PMID: 38453941; PubMed Central PMCID: PMC10920890. method MX · beamline 8.2.2
  37. Cuthbert BJ, Mendoza J, de Miranda R, Papavinasasundaram K, Sassetti CM, Goulding CW. The structure of Mycobacterium thermoresistibile MmpS5 reveals a conserved disulfide bond across mycobacteria. Metallomics. 2024 Mar 12;16(3). doi: 10.1093/mtomcs/mfae011. PubMed PMID: 38425033; PubMed Central PMCID: PMC10929441. method MX · beamline 5.0.2
  38. Judge A, Sankaran B, Hu L, Palaniappan M, Birgy A, Prasad BVV, Palzkill T. “Network of epistatic interactions in an enzyme active site revealed by large-scale deep mutational scanning.” Proceedings of the National Academy of Sciences of the United States of America 2024 Mar 19 ;121(12):e2313513121. TOC1. PMID: 38483989. PMCID: PMC10962969. method MX · beamline 8.2.2 · staff author: Banumathi Sankaran
  39. Li H, Hardy CD, Reidl CT, Jing Q, Xue F, Cinelli M, et al. Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase. Biochemistry. 2024 Mar 19;63(6):788-796. doi: 10.1021/acs.biochem.3c00601. PubMed PMID: 38417024; PubMed Central PMCID: PMC10956423. method MX · beamline 5.0.2
  40. Zhao B, Hu L, Kaundal S, Neetu N, Lee CH, Somoulay X, Sankaran B, Taylor GM, Dermody TS, Venkataram Prasad BV. “Structure of orthoreovirus RNA chaperone σNS, a component of viral replication factories.” Nature communications 2024 Mar 19 ;15(1):2460. PMID: 38503747. PMCID: PMC10950856. method MX · beamline 5.0.1 · staff author: Banumathi Sankaran
  41. Dai S, Guo L, Dey R, Guo M, Zhang X, Bates D, et al. Structural insights into the HDAC4-MEF2A-DNA complex and its implication in long-range transcriptional regulation. Nucleic Acids Res. 2024 Mar 21;52(5):2711-2723. doi: 10.1093/nar/gkae036. PubMed PMID: 38281192; PubMed Central PMCID: PMC10954479. method MX · beamline 8.2.1
  42. de Haas RJ, Brunette N, Goodson A, Dauparas J, Yi SY, Yang EC, et al. Rapid and automated design of two-component protein nanomaterials using ProteinMPNN. Proc Natl Acad Sci U S A. 2024 Mar 26;121(13):e2314646121. doi: 10.1073/pnas.2314646121. PubMed PMID: 38502697; PubMed Central PMCID: PMC10990136. method MX · beamline 5.0.1, 8.2.1, 8.2.2 · staff author: Banumathi Sankaran
  43. Carney DW, Leffler AE, Bell JA, Chandrasinghe AS, Cheng C, Chang E, et al. Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity. Bioorg Med Chem. 2024 Apr 1;103:117577. doi: 10.1016/j.bmc.2023.117577. PubMed PMID: 38518735. method MX · beamline 5.0.3
  44. Ran X, Parikh P, Abendroth J, Arakaki TL, Clifton MC, Edwards TE, et al. Structural and functional characterization of FabG4 from Mycolicibacterium smegmatis. Acta Crystallogr F Struct Biol Commun. 2024 Apr 1;80(Pt 4):82-91. doi: 10.1107/S2053230X2400356X. PubMed PMID: 38656226; PubMed Central PMCID: PMC11058512. method MX · beamline 5.0.2
  45. Yang H, Kreutzer AG, Nowick JS. Supramolecular Interactions of Teixobactin Analogues in the Crystal State. J Org Chem. 2024 Apr 5;89(7):5104-5108. doi: 10.1021/acs.joc.3c02617. PubMed PMID: 38506062; PubMed Central PMCID: PMC11002827. method MX · beamline 8.2.2
  46. Lu J, Guo Y, Yin J, Chen J, Wang Y, Wang GG, Song J. “Structure-guided functional suppression of AML-associated DNMT3A hotspot mutations.” Nature communications 2024 Apr 10 ;15(1):3111. PMID: 38600075. PMCID: PMC11006857. method MX · beamline 5.0.2, 5.0.3
  47. Stewart NK, Toth M, Quan P, Beer M, Buynak JD, Smith CA, et al. Restricted Rotational Flexibility of the C5α-Methyl-Substituted Carbapenem NA-1-157 Leads to Potent Inhibition of the GES-5 Carbapenemase. ACS Infect Dis. 2024 Apr 12;10(4):1232-1249. doi: 10.1021/acsinfecdis.3c00683. PubMed PMID: 38511828; PubMed Central PMCID: PMC11160566. method MX · beamline 5.0.3
  48. Rupert PB, Buerger M, Girard EJ, Frutoso M, Parrilla D, Ng K, et al. Preclinical characterization of Pan-NKG2D ligand-binding NKG2D receptor decoys. Heliyon. 2024 Apr 15;10(7):e28583. doi: 10.1016/j.heliyon.2024.e28583. PubMed PMID: 38586421; PubMed Central PMCID: PMC10998067. method MX · beamline 5.0.1, 5.0.2
  49. Fang Z, Pazienza LT, Zhang J, Tam CP, Szostak JW. Catalytic Metal Ion-Substrate Coordination during Nonenzymatic RNA Primer Extension. J Am Chem Soc. 2024 Apr 17;146(15):10632-10639. doi: 10.1021/jacs.4c00323. PubMed PMID: 38579124; PubMed Central PMCID: PMC11027144. method MX · beamline 2.0.1, 5.0.3, 8.2.2
  50. Holderfield M, Lee BJ, Jiang J, Tomlinson A, Seamon KJ, Mira A, et al. Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature. 2024 May;629(8013):919-926. doi: 10.1038/s41586-024-07205-6. PubMed PMID: 38589574; PubMed Central PMCID: PMC11111408. method MX · beamline 5.0.1
  51. Korasick DA, Buckley DP, Palpacelli A, Cursio I, Cesaroni E, Cheng J, Tanner JJ. “Biochemical, structural, and computational analyses of two new clinically identified missense mutations of ALDH7A1.” Chemico-biological interactions 2024 May 01 ;394:110993,. PMID: 38604394. PMCID: PMC11073572. method MX · beamline 4.2.2
  52. Chitre AS, Wu P, Walters BT, Wang X, Bouyssou A, Du X, et al. HPK1 citron homology domain regulates phosphorylation of SLP76 and modulates kinase domain interaction dynamics. Nat Commun. 2024 May 2;15(1):3725. doi: 10.1038/s41467-024-48014-9. PubMed PMID: 38697971; PubMed Central PMCID: PMC11066036. method MX · beamline 5.0.2
  53. Rodríguez-Hernández D, Fenwick MK, Zigweid R, Sankaran B, Myler PJ, Sunnerhagen P, Kaushansky A, Staker BL, Grøtli M. “Exploring Subsite Selectivity within Plasmodium vivax N-Myristoyltransferase Using Pyrazole-Derived Inhibitors.” Journal of medicinal chemistry 2024 May 09 ;67(9):7312-7329. PMID: 38680035. PMCID: PMC11089503. method MX · beamline 8.2.2 · staff author: Banumathi Sankaran
  54. Krieger IV, Yalamanchili S, Dickson P, Engelhart CA, Zimmerman MD, Wood J, et al. Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening. ACS Infect Dis. 2024 May 10;10(5):1561-1575. doi: 10.1021/acsinfecdis.3c00592. PubMed PMID: 38577994; PubMed Central PMCID: PMC11091879. method MX · beamline 5.0.2
  55. Phillips M, Malone KL, Boyle BW, Montgomery C, Kressy IA, Joseph FM, Bright KM, Boyson SP, Chang S, Nix JC, Young NL, Jeffers V, Frietze S, Glass KC. “Impact of Combinatorial Histone Modifications on Acetyllysine Recognition by the ATAD2 and ATAD2B Bromodomains.” Journal of medicinal chemistry 2024 May 11. PMID: 38733345. PMCID: PMC11149620. method MX · beamline 4.2.2
  56. Tipo J, Gottipati K, Choi KH. High-resolution RNA tertiary structures in Zika virus stem-loop A for the development of inhibitory small molecules. RNA. 2024 May 16;30(6):609-623. doi: 10.1261/rna.079796.123. PMID: 38383158; PMCID: PMC11098461. method MX · beamline 8.2.2
  57. Tipo J, Gottipati K, Slaton M, Gonzalez-Gutierrez G, Choi KH. Structure of HIV-1 RRE stem-loop II identifies two conformational states of the high-affinity Rev binding site. Nat Commun. 2024 May 17;15(1):4198. doi: 10.1038/s41467-024-48162-y. PubMed PMID: 38760344; PubMed Central PMCID: PMC11101469. method MX · beamline 8.2.2
  58. Blankenship LR, Yang KS, Vulupala VR, Alugubelli YR, Khatua K, Coleman D, Ma XR, Sankaran B, Cho CD, Ma Y, Neuman BW, Xu S, Liu WR. SARS-CoV-2 Main Protease Inhibitors That Leverage Unique Interactions with the Solvent Exposed S3 Site of the Enzyme. ACS Med Chem Lett. 2024 May 20;15(6):950-957. doi: 10.1021/acsmedchemlett.4c00146. eCollection 2024 Jun 13. PMID: 38894905. method MX · beamline 8.2.2 · staff author: Banumathi Sankaran
  59. Eren E, Watts NR, Conway JF, Wingfield PT. Myxococcus xanthus encapsulin cargo protein EncD is a flavin-binding protein with ferric reductase activity. Proc Natl Acad Sci U S A. 2024 May 21;121(21):e2400426121. doi: 10.1073/pnas.2400426121. PubMed PMID: 38748579; PubMed Central PMCID: PMC11126975. method MX · beamline 5.0.1, 5.0.2
  60. Lewis JA, Jacobo EP, Palmer N, Vermerris W, Sattler SE, Brozik JA, et al. Structural and Interactional Analysis of the Flavonoid Pathway Proteins: Chalcone Synthase, Chalcone Isomerase and Chalcone Isomerase-like Protein. Int J Mol Sci. 2024 May 22;25(11). doi: 10.3390/ijms25115651. PubMed PMID: 38891840; PubMed Central PMCID: PMC11172311. method MX · beamline 5.0.1, 5.0.2, 5.0.3, 8.2.2 · non-biomedical
  61. Li Y, Wei Y, Ultsch M, Li W, Tang W, Tombling B, et al. Cystine-knot peptide inhibitors of HTRA1 bind to a cryptic pocket within the active site region. Nat Commun. 2024 May 22;15(1):4359. doi: 10.1038/s41467-024-48655-w. PubMed PMID: 38777835; PubMed Central PMCID: PMC11111691. method MX · beamline 5.0.1, 5.0.2
  62. Ku AF, Sharma KL, Ta HM, Sutton CM, Bohren KM, Wang Y, Chamakuri S, Chen R, Hakenjos JM, Jimmidi R, Kent K, Li F, Li JY, Ma L, Madasu C, Palaniappan M, Palmer SS, Qin X, Robers MB, Sankaran B, Tan Z, Vasquez YM, Wang J, Wilkinson J, Yu Z, Ye Q, Young DW, Teng M, Kim C, Matzuk MM. Reversible male contraception by targeted inhibition of serine/threonine kinase 33. Science. 2024 May 24;384(6698):885-890. doi: 10.1126/science.adl2688. PMID: 38781365 BL 5.0.2, TOC1. method MX · beamline 5.0.2 · staff author: Banumathi Sankaran
  63. Glenn SJ, Gentry-Lear Z, Shavlik M, Harms MJ, Asaki TJ, Baylink A. Bacterial vampirism mediated through taxis to serum. Elife. 2024 May 31;12:RP93178. doi: 10.7554/eLife.93178. PMID: 38820052; PMCID: PMC11142651. method MX · beamline 5.0.3
  64. Chang C, et al. Sugar ring alignment and dynamics underline cytarabine and gemcitabine inhibition on Pol η catalyzed DNA synthesis. J Biol Chem. 2024 Jun 1. doi: 10.1016/j.jbc.2024.107361. PMID: 38735473; PMCID: PMC11176770. method MX · beamline 5.0.3
  65. Sampathkumar P, Jung H, Chen H, Zhang Z, Suen N, Yang Y, Huang Z, Lopez T, Benisch R, Lee SJ, Ye J, Yeh WC, Li Y. Targeted protein degradation systems to enhance Wnt signaling. Elife. 2024 Jun 7;13:RP93908. doi: 10.7554/eLife.93908. PMID: 38847394; PMCID: PMC11161174. method MX · beamline BCSB
  66. Jia X, Fang Z, Kim SC, Ding D, Zhou L, Szostak JW. Diaminopurine in Nonenzymatic RNA Template Copying. J Am Chem Soc. 2024 Jun 12;146(23):15897-15907. doi: 10.1021/jacs.4c02560. Epub 2024 May 31. PMID: 38818863; PMCID: PMC11177312. method MX · beamline 2.0.1
  67. Chen J, Zehr EA, Gruschus JM, Szyk A, Liu Y, Tanner ME, et al. Tubulin code eraser CCP5 binds branch glutamates by substrate deformation. Nature. 2024 Jul;631(8022):905-912. doi: 10.1038/s41586-024-07699-0. PubMed PMID: 39020174. beamline 5.0.2
  68. Ennist NM, Wang S, Kennedy MA, Curti M, Sutherland GA, Vasilev C, Redler RL, Maffeis V, Shareef S, Sica AV, Hua AS, Deshmukh AP, Moyer AP, Hicks DR, Swartz AZ, Cacho RA, Novy N, Bera AK, Kang A, Sankaran B, Johnson MP, Phadkule A, Reppert M, Ekiert D, Bhabha G, Stewart L, Caram JR, Stoddard BL, Romero E, Hunter CN, Baker D. De novo design of proteins housing excitonically coupled chlorophyll special pairs. Nat Chem Biol. 2024 Jul;20(7):906-915. doi: 10.1038/s41589-024-01626-0. Epub 2024 Jun 3. PMID: 38831036. [also TOC2] method MX · beamline 12.3.1, 5.0.1, 5.0.1 · staff author: Banumathi Sankaran · non-biomedical
  69. Hariharan P, Bakhtiiari A, Liang R, Guan L. Distinct roles of the major binding residues in the cation-binding pocket of the melibiose transporter MelB. J Biol Chem. 2024 Jul;300(7):107427. doi: 10.1016/j.jbc.2024.107427. PubMed PMID: 38823641; PubMed Central PMCID: PMC11259710. method MX · beamline 5.0.1, 8.2.2
  70. Schumacher MA, Singh RR, Salinas R. Structure of the E. coli nucleoid-associated protein YejK reveals a novel DNA binding clamp. Nucleic Acids Res. 2024 Jul 8;52(12):7354-7366. doi: 10.1093/nar/gkae459. PubMed PMID: 38832628; PubMed Central PMCID: PMC11229321. method MX · beamline 5.0.2
  71. Sewa AS, Besser HA, Mathews II, Khosla C. Structural and mechanistic analysis of Ca(2+)-dependent regulation of transglutaminase 2 activity using a Ca(2+)-bound intermediate state. Proc Natl Acad Sci U S A. 2024 Jul 9;121(28):e2407066121. doi: 10.1073/pnas.2407066121. PubMed PMID: 38959038; PubMed Central PMCID: PMC11252922. method MX · beamline 5.0.2
  72. Wacker JN, Woods JJ, Rupert PB, Peterson A, Allaire M, Lukens WW, Gaiser AN, Minasian SG, Strong RK, Abergel RJ. Actinium chelation and crystallization in a macromolecular scaffold. Nat Commun. 2024 Jul 15;15(1):5741. doi: 10.1038/s41467-024-50017-5. PMID: 39009580. method MX · beamline 5.0.2
  73. Berhanu S, Majumder S, Müntener T, Whitehouse J, Berner C, Bera AK, Kang A, Liang B, Khan N, Sankaran B, Tamm LK, Brockwell DJ, Hiller S, Radford SE, Baker D, Vorobieva AA Sculpting conducting nanopore size and shape through de novo protein design. Science. 2024 Jul 19;385(6706):282-288. doi: 10.1126/science.adn3796. Epub 2024 Jul 18. PMID: 39024453 (8.2.1). method MX · beamline 8.2.1 · staff author: Banumathi Sankaran
  74. Zhu N, Rogers WE, Heidary DK, Huxford T. Structural and biochemical analyses of the nuclear IκBζ protein in complex with the NF-κB p50 homodimer. Genes Dev. 2024 Jul 19;38(11-12):528-535. doi: 10.1101/gad.351892.124. PubMed PMID: 38960718; PubMed Central PMCID: PMC11293385. method MX · beamline 8.2.2
  75. Guercio AM, Gilio AK, Pawlak J, Shabek N. Structural insights into rice KAI2 receptor provide functional implications for perception and signal transduction. J Biol Chem. 2024 Aug;300(8):107593. doi: 10.1016/j.jbc.2024.107593. PubMed PMID: 39032651; PubMed Central PMCID: PMC11350264. method MX · beamline 8.2.1, 8.2.2 · non-biomedical
  76. Palayam M, Yan L, Nagalakshmi U, Gilio AK, Cornu D, Boyer FD, et al. Structural insights into strigolactone catabolism by carboxylesterases reveal a conserved conformational regulation. Nat Commun. 2024 Aug 1;15(1):6500. doi: 10.1038/s41467-024-50928-3. PubMed PMID: 39090154; PubMed Central PMCID: PMC11294565. method MX · beamline 8.2.2 · non-biomedical
  77. Saran A, Kim HM, Manning I, Hancock MA, Schmitz C, Madej M, et al. Unveiling the molecular mechanisms of the type IX secretion system’s response regulator: Structural and functional insights. PNAS Nexus. 2024 Aug;3(8):pgae316. doi: 10.1093/pnasnexus/pgae316. PubMed PMID: 39139265; PubMed Central PMCID: PMC11320123. method MX · beamline 5.0.1, 5.0.2
  78. Sevrioukova IF. Interaction of CYP3A4 with the inhibitor cobicistat: Structural and mechanistic insights and comparison with ritonavir. Arch Biochem Biophys. 2024 Aug;758:110071. doi: 10.1016/j.abb.2024.110071. PubMed PMID: 38909836; PubMed Central PMCID: PMC11286144. method MX · beamline 8.2.2
  79. Tong AY, Tong EL, Hannani MA, Shaffer SN, Santiago D, Ferré-D’Amaré AR, et al. RNA thermometers are widespread upstream of ABC transporter genes in bacteria. J Biol Chem. 2024 Aug;300(8):107547. doi: 10.1016/j.jbc.2024.107547. PubMed PMID: 38992441; PubMed Central PMCID: PMC11342760. method MX · beamline 5.0.1, 5.0.2
  80. Rupert PB, Buerger M, Friend DJ, Strong RK. Structural elucidation of the mesothelin-mucin-16/CA125 interaction. Structure. 2024 Aug 8;32(8):1049-1054.e2. doi: 10.1016/j.str.2024.04.011. PubMed PMID: 38703776; PubMed Central PMCID: PMC11316652. method MX · beamline 5.0.2
  81. Lu X, Passalacqua LFM, Nodwell M, Kong KYS, Caballero-García G, Dolgosheina EV, et al. Symmetry breaking of fluorophore binding to a G-quadruplex generates an RNA aptamer with picomolar KD. Nucleic Acids Res. 2024 Aug 12;52(14):8039-8051. doi: 10.1093/nar/gkae493. PubMed PMID: 38945550; PubMed Central PMCID: PMC11317130. method MX · beamline 5.0.1, 5.0.2
  82. Chang C, Zhou G, Gao Y. Observing one-divalent-metal-ion-dependent and histidine-promoted His-Me family I-PpoI nuclease catalysis in crystallo. Elife. 2024 Aug 14;13. doi: 10.7554/eLife.99960. PubMed PMID: 39141555; PubMed Central PMCID: PMC11325842. method MX · beamline 5.0.3
  83. Altman PX, Ozorowski G, Stanfield RL, Haakenson J, Appel M, Parren M, et al. Immunization of cows with HIV envelope trimers generates broadly neutralizing antibodies to the V2-apex from the ultralong CDRH3 repertoire. PLoS Pathog. 2024 Sep;20(9):e1012042. doi: 10.1371/journal.ppat.1012042. PubMed PMID: 39250525; PubMed Central PMCID: PMC11412654. method MX · beamline 5.0.1
  84. Garrigues RJ, Garrison MP, Garcia BL. The Crystal Structure of the Michaelis-Menten Complex of C1 Esterase Inhibitor and C1s Reveals Novel Insights into Complement Regulation. J Immunol. 2024 Sep 1;213(5):718-729. doi: 10.4049/jimmunol.2400194. PubMed PMID: 38995166; PubMed Central PMCID: PMC11333171. method MX · beamline 5.0.2
  85. Khudaverdyan N, Lu J, Chen X, Herle G, Song J. The structure of DNA methyltransferase DNMT3C reveals an activity-tuning mechanism for DNA methylation. J Biol Chem. 2024 Sep;300(9):107633. doi: 10.1016/j.jbc.2024.107633. PubMed PMID: 39098534; PubMed Central PMCID: PMC11401227. method MX · beamline 8.2.2
  86. Sirirungruang S, Blay V, Scott YF, Pereira JH, Hammel M, Barnum CR, Adams PD, Shih PM. Structural and biochemical basis for regiospecificity of the flavonoid glycosyltransferase UGT95A1. J Biol Chem. 2024 Sep;300(9):107602. doi: 10.1016/j.jbc.2024.107602. PMID: 39059496. [also TOC2] method MX · beamline 8.2.2 · non-biomedical
  87. Sun X, Ferguson JA, Yang K, Stanfield RL, Dyson HJ, Wright PE. Mispacking of the F87 sidechain drives aggregation-promoting conformational fluctuations in the subunit interfaces of the transthyretin tetramer. Protein Sci. 2024 Sep;33(9):e5101. doi: 10.1002/pro.5101. PubMed PMID: 39149996; PubMed Central PMCID: PMC11327909. method MX · beamline 5.0.3
  88. Zheng Q, Zhang Z, Guiley KZ, Shokat KM. Strain-release alkylation of Asp12 enables mutant selective targeting of K-Ras-G12D. Nat Chem Biol. 2024 Sep;20(9):1114-1122. doi: 10.1038/s41589-024-01565-w. PubMed PMID: 38443470; PubMed Central PMCID: PMC11357986. method MX · beamline 8.2.1, 8.2.2
  89. Elghondakly A, Jermain MD, Winkler WC, Ferré-D’Amaré AR. Major-groove sequence-specific RNA recognition by LoaP, a paralog of transcription elongation factor NusG. Structure. 2024 Sep 5;32(9):1488-1497.e5. doi: 10.1016/j.str.2024.06.001. PubMed PMID: 38959899; PubMed Central PMCID: PMC11648650. method MX · beamline 5.0.1
  90. Zhou G, Rusnac DV, Park H, Canzani D, Nguyen HM, Stewart L, et al. An artificial intelligence accelerated virtual screening platform for drug discovery. Nat Commun. 2024 Sep 5;15(1):7761. doi: 10.1038/s41467-024-52061-7. PubMed PMID: 39237523; PubMed Central PMCID: PMC11377542. method MX · beamline 8.2.1, 8.2.2
  91. Ogbonna EN, Terrell JR, Paul A, Farahat AA, Poon GMK, Boykin DW, et al. Single GC base pair recognition by a heterocyclic diamidine: structures, affinities, and dynamics. RSC Adv. 2024 Sep 12;14(40):29675-29682. doi: 10.1039/d4ra05957c. PubMed PMID: 39297050; PubMed Central PMCID: PMC11408989. method MX · beamline 8.2.2
  92. Gonzalez-DeWhitt KR, Ermolova N, Wang HK, Hekstra DR, Althoff T, Abramson J. Insights into VDAC Gating: Room-Temperature X-ray Crystal Structure of mVDAC-1. Biomolecules. 2024 Sep 24;14(10). doi: 10.3390/biom14101203. PubMed PMID: 39456136; PubMed Central PMCID: PMC11505624. method MX · beamline 8.2.2
  93. Hudkins RL, Allen E, Balcer A, Hoffman ID, Iyer S, Neal M, et al. Discovery of TYRA-300: First Oral Selective FGFR3 Inhibitor for the Treatment of Urothelial Cancers and Achondroplasia. J Med Chem. 2024 Sep 26;67(18):16737-16756. doi: 10.1021/acs.jmedchem.4c01531. PubMed PMID: 39258897. method MX (from the beamline, not the text) · beamline 8.2.2
  94. Bolling C, Mendez A, Taylor S, Makumire S, Reers A, Zigweid R, et al. Ternary structure of Plasmodium vivaxN-myristoyltransferase with myristoyl-CoA and inhibitor IMP-0001173. Acta Crystallogr F Struct Biol Commun. 2024 Oct 1;80(Pt 10):269-277. doi: 10.1107/S2053230X24008604. PubMed PMID: 39291304; PubMed Central PMCID: PMC11448930. method MX · beamline 5.0.2
  95. Farrants H, Shuai Y, Lemon WC, Monroy Hernandez C, Zhang D, Yang S, et al. A modular chemigenetic calcium indicator for multiplexed in vivo functional imaging. Nat Methods. 2024 Oct;21(10):1916-1925. doi: 10.1038/s41592-024-02411-6. PubMed PMID: 39304767; PubMed Central PMCID: PMC11466818. method MX · beamline 8.2.2
  96. Narayanan D, et al. Ligand-induced CaMKIIα hub Trp403 flip, hub domain stacking, and modulation of kinase activity. Protein Sci. 2024 Oct 1. doi: 10.1002/pro.5152. PMID: 39275999; PMCID: PMC11400628. method MX · beamline 8.2.2
  97. Rodrigues AV, et al. Characterization of lignin-degrading enzyme PmdC, which catalyzes a key step in the synthesis of polymer precursor 2-pyrone-4,6-dicarboxylic acid. J Biol Chem. 2024 Oct 1. doi: 10.1016/j.jbc.2024.107736. PMID: 39222681; PMCID: PMC11489326. method MX · beamline 8.2.2 · non- biomedical
  98. Harold RL, Tulsian NK, Narasimamurthy R, Yaitanes N, Ayala Hernandez MG, Lee HW, et al. Isoform-specific C-terminal phosphorylation drives autoinhibition of Casein kinase 1. Proc Natl Acad Sci U S A. 2024 Oct 8;121(41):e2415567121. doi: 10.1073/pnas.2415567121. PubMed PMID: 39356670; PubMed Central PMCID: PMC11474029. method MX · beamline 5.0.1
  99. Barkan DT, Garland K, Zhang L, Eastman RT, Hesse M, Knapp M, et al. Identification of Potent, Broad-Spectrum Coronavirus Main Protease Inhibitors for Pandemic Preparedness. J Med Chem. 2024 Oct 10;67(19):17454-17471. doi: 10.1021/acs.jmedchem.4c01404. PubMed PMID: 39332817; PubMed Central PMCID: PMC11472307. method MX · beamline 2.0.1
  100. Yang H, Pacheco J, Kim K, Bokani A, Ito F, Ebrahimi D, et al. Molecular mechanism for regulating APOBEC3G DNA editing function by the non-catalytic domain. Nat Commun. 2024 Oct 10;15(1):8773. doi: 10.1038/s41467-024-52671-1. PubMed PMID: 39389938; PubMed Central PMCID: PMC11467180. method MX · beamline 5.0.3
  101. Haley DJ, Lanning S, Henricson KE, Mardirossian AA, Cirillo I, Rahe MC, et al. Structure and Antigenicity of the Porcine Astrovirus 4 Capsid Spike. Viruses. 2024 Oct 11;16(10). doi: 10.3390/v16101596. PubMed PMID: 39459929; PubMed Central PMCID: PMC11512355. method MX · beamline 5.0.1
  102. Jensen SJ, Cuthbert BJ, Garza-Sánchez F, Helou CC, de Miranda R, Goulding CW, et al. Advanced glycation end-product crosslinking activates a type VI secretion system phospholipase effector protein. Nat Commun. 2024 Oct 11;15(1):8804. doi: 10.1038/s41467-024-53075-x. PubMed PMID: 39394186; PubMed Central PMCID: PMC11470151. method MX · beamline 5.0.2
  103. Agrawal P, Knudsen ML, MacCamy A, Hurlburt NK, Khechaduri A, Salladay KR, et al. Short CDRL1 in intermediate VRC01-like mAbs is not sufficient to overcome key glycan barriers on HIV-1 Env. J Virol. 2024 Oct 22;98(10):e0074424. doi: 10.1128/jvi.00744-24. PubMed PMID: 39240111; PubMed Central PMCID: PMC11495006. method MX · beamline 5.0.2
  104. Scharffenberger SC, Wan YH, Homad LJ, Kher G, Haynes AM, Poudel B, et al. Targeting RSV-neutralizing B cell receptors with anti-idiotypic antibodies. Cell Rep. 2024 Oct 22;43(10):114811. doi: 10.1016/j.celrep.2024.114811. PubMed PMID: 39383036; PubMed Central PMCID: PMC11496930. method MX · beamline 5.0.2
  105. Peng Y, Moffat JG, DuPai C, Kofoed EM, Skippington E, Modrusan Z, et al. Differential effects of inosine monophosphate dehydrogenase (IMPDH/GuaB) inhibition in Acinetobacter baumannii and Escherichia coli. J Bacteriol. 2024 Oct 24;206(10):e0010224. doi: 10.1128/jb.00102-24. PubMed PMID: 39235234; PubMed Central PMCID: PMC11500612. method MX · beamline 5.0.2
  106. Morstein J, Bowcut V, Fernando M, Yang Y, Zhu L, Jenkins ML, et al. Targeting Ras-, Rho-, and Rab-family GTPases via a conserved cryptic pocket. Cell. 2024 Oct 31;187(22):6379-6392.e17. doi: 10.1016/j.cell.2024.08.017. PubMed PMID: 39255801; PubMed Central PMCID: PMC11531380. method MX · beamline 8.2.1
  107. Thomas GM, Quirk S, Lieberman RL. Structure and stability of an apo thermophilic esterase that hydrolyzes polyhydroxybutyrate. Acta Crystallogr D Struct Biol. 2024 Nov 1;80(Pt 11):791-799. doi: 10.1107/S2059798324009707. PubMed PMID: 39441250; PubMed Central PMCID: PMC11544428. method MX · beamline 5.0.1 · non-biomedical
  108. Kumar RP, Matos JO, Black BY, Ellenburg WH, Chen J, Patterson M, et al. Crystal Structure of Caryolan-1-ol Synthase, a Sesquiterpene Synthase Catalyzing an Initial Anti-Markovnikov Cyclization Reaction. Biochemistry. 2024 Nov 5;63(21):2904-2915. doi: 10.1021/acs.biochem.4c00547. PubMed PMID: 39400323; PubMed Central PMCID: PMC12068512. method MX · beamline 8.2.1 · non-biomedical
  109. Andrade Meirelles M, Almeida VM, Sullivan JR, de Toledo I, Dos Reis CV, Cunha MR, Zigweid R, Shim A, Sankaran B, Woodward EL, Seibold S, Liu L, Mian MR, Battaile KP, Riley J, Duncan C, Simeons FRC, Ferguson L, Joji H, Read KD, Lovell S, Staker BL, Behr MA, Pilli RA, Couñago RM. Rational Exploration of 2,4-Diaminopyrimidines as DHFR Inhibitors Active against Mycobacterium abscessus and Mycobacterium avium, Two Emerging Human Pathogens. J Med Chem. 2024 Nov 14;67(21):19143-19164. doi: 10.1021/acs.jmedchem.4c01594. Epub 2024 Oct 28. PMID: 39468773. method MX · beamline 8.2.2 · staff author: Banumathi Sankaran
  110. Scott DC, Chittori S, Purser N, King MT, Maiwald SA, Churion K, et al. Structural basis for C-degron selectivity across KLHDCX family E3 ubiquitin ligases. Nat Commun. 2024 Nov 15;15(1):9899. doi: 10.1038/s41467-024-54126-z. PubMed PMID: 39548056; PubMed Central PMCID: PMC11568203. method MX · beamline 5.0.1
  111. Kaylen R Meeks , Alexandra N Bogner , Jay C Nix, John J Tanner Crystallographic Fragment Screening of a Bifunctional Proline Catabolic Enzyme Reveals New Inhibitor Templates for Proline Dehydrogenase and L-Glutamate-γ-semialdehyde Dehydrogenase. Molecules. 2024 Nov 16;29(22):5408. doi: 10.3390/molecules29225408. PMID: 39598797 PMCID: PMC11596857. method MX · beamline 8.2.1
  112. Alboreggia G, Udompholkul P, Rodriguez I, Blaha G, Pellecchia M. Targeted degradation of Pin1 by protein-destabilizing compounds. Proc Natl Acad Sci U S A. 2024 Nov 19;121(47):e2403330121. doi: 10.1073/pnas.2403330121. Epub 2024 Nov 12. Erratum in: Proc Natl Acad Sci U S A. 2025 Jan 14;122(2):e2424805121. doi: 10.1073/pnas.2424805121. PMID: 39531501; PMCID: PMC11588135. (5.0.3). method MX · beamline 5.0.3
  113. Jimmidi R, Monsivais D, Ta HM, Sharma KL, Bohren KM, Chamakuri S, Liao Z, Li F, Hakenjos JM, Li JY, Mishina Y, Pan H, Qin X, Robers MB, Sankaran B, Tan Z, Tang S, Vasquez YM, Wilkinson J, Young DW, Palmer SS, MacKenzie KR, Kim C, Matzuk MM. Discovery of highly potent and ALK2/ALK1 selective kinase inhibitors using DNA-encoded chemistry technology. Proc Natl Acad Sci U S A. 2024 Nov 19;121(47):e2413108121. doi: 10.1073/pnas.2413108121. Epub 2024 Nov 14. PMID: 39541346. method MX · beamline 5.0.2 · staff author: Banumathi Sankaran
  114. Phan HN, Swartz PD, Gangopadhyay M, Guo Y, Smirnov AI, Makris TM. Assembly of a Heterobimetallic Fe/Mn Cofactor in the para-Aminobenzoate Synthase Chlamydia Protein Associating with Death Domains (CADD) Initiates Long-Range Radical Hole-Hopping. Biochemistry. 2024 Nov 19;63(22):3020-3029. doi: 10.1021/acs.biochem.4c00326. PubMed PMID: 39471288; PubMed Central PMCID: PMC12186997. method MX · beamline 5.0.2
  115. Ennis AF, Cochrane CS, Dome PA, Jeong P, Yu J, Lee H, et al. Design and Evaluation of Pyridinyl Sulfonyl Piperazine LpxH Inhibitors with Potent Antibiotic Activity Against Enterobacterales. JACS Au. 2024 Nov 25;4(11):4383-4393. doi: 10.1021/jacsau.4c00731. PubMed PMID: 39610720; PubMed Central PMCID: PMC11600146. method MX · beamline 5.0.2, 5.0.3
  116. Zhou NE, Tang S, Bian X, Parai MK, Krieger IV, Flores A, et al. An oral non-covalent non-peptidic inhibitor of SARS-CoV-2 Mpro ameliorates viral replication and pathogenesis in vivo. Cell Rep. 2024 Nov 26;43(11):114929. doi: 10.1016/j.celrep.2024.114929. PubMed PMID: 39504242; PubMed Central PMCID: PMC12180444. method MX · beamline 5.0.2
  117. Cuthbert BJ, Chen X, Burley K, Batot G, Contreras H, Dixon S, et al. Structural Characterization of Mycobacterium tuberculosis Encapsulin in Complex with Dye-Decolorizing Peroxide. Microorganisms. 2024 Nov 30;12(12). doi: 10.3390/microorganisms12122465. PubMed PMID: 39770668; PubMed Central PMCID: PMC11676171. method MX · beamline 5.0.2
  118. Cowie AE, Pereira JH, DeGiovanni A, McAndrew RP, Palayam M, Peek JO, Muchlinski AJ, Yoshikuni Y, Shabek N, Adams PD, Zerbe P. The crystal structure of Grindelia robusta 7,13-copalyl diphosphate synthase reveals active site features controlling catalytic specificity. J Biol Chem. 2024 Dec;300(12):107921. doi: 10.1016/j.jbc.2024.107921. PMID: 39454950. method MX · beamline 8.2.2 · non-biomedical
  119. Reyes RA, Raghavan SSR, Hurlburt NK, Introini V, Bol S, Kana IH, et al. Broadly inhibitory antibodies to severe malaria virulence proteins. Nature. 2024 Dec;636(8041):182-189. doi: 10.1038/s41586-024-08220-3. PubMed PMID: 39567685; PubMed Central PMCID: PMC12338075. method MX · beamline 5.0.2
  120. Batka AE, Thomas WC, Tudorica DA, Sayler RI, Marletta MA. Second-Sphere Histidine Catalytic Function in a Fungal Polysaccharide Monooxygenase. Biochemistry. 2024 Dec 3;63(23):3136-3146. doi: 10.1021/acs.biochem.4c00527. PubMed PMID: 39563485. method MX · beamline 5.0.2
  121. Fenwick MK, Pierce PG, Abendroth J, Barrett KF, Barrett LK, Bowatte K, et al. Exquisite selectivity of griselimycin extends to beta subunit of DNA polymerases from Gram-negative bacterial pathogens. Commun Biol. 2024 Dec 5;7(1):1622. doi: 10.1038/s42003-024-07175-5. PubMed PMID: 39639052; PubMed Central PMCID: PMC11621423. method MX · beamline 8.2.1
  122. Rosen LE, Tortorici MA, De Marco A, Pinto D, Foreman WB, Taylor AL, et al. A potent pan-sarbecovirus neutralizing antibody resilient to epitope diversification. Cell. 2024 Dec 12;187(25):7196- 7213.e26. doi: 10.1016/j.cell.2024.09.026. PubMed PMID: 39383863; PubMed Central PMCID: PMC11645210. method MX · beamline 8.2.1
  123. Uyeda KS, Follmer AH, Borovik AS. Selective oxidation of active site aromatic residues in engineered Cu proteins. Chem Sci. 2024 Dec 18;16(1):98-103. doi: 10.1039/d4sc06667g. PubMed PMID: 39600509; PubMed Central PMCID: PMC11587884. method MX · beamline 5.0.1, 5.0.2, 5.0.3
  124. Bürger M, Peterson D, Chory J. Strigolactones initiate the formation of haustorium-like structures in Castilleja. iScience. 2024 Dec 20;27(12):111491. doi: 10.1016/j.isci.2024.111491. PubMed PMID: 39759020; PubMed Central PMCID: PMC11697714. method MX · beamline 8.2.2 · non-biomedical

TOC2 — High Quality and High Throughput SAXS (33)

  1. Yadav P, Gupta M, Wazahat R, Islam Z, Tsutakawa SE, Kamthan M, Kumar P. “Structural basis for the role of C-terminus acidic tail of Saccharomyces cerevisiae ubiquitin-conjugating enzyme (Rad6) in E3 ligase (Bre1) mediated recognition of histones.” International journal of biological macromolecules 2024 Jan ;254(Pt 2):127717 PMID: 37923031. method SAXS · beamline 12.3.1 · non-biomedical
  2. Murray DT, Ge X, Schut GJ, Rosenberg DJ, Hammel M, Bierma JC, Hille R, Adams MWW, Hura GL. “Correlating Conformational Equilibria with Catalysis in the Electron Bifurcating EtfABCX of Thermotoga maritima.” Biochemistry 2024 Jan 02 ;63(1):128-140 PMID: 38013433; PMCID: PMC10765413. method SAXS · beamline 12.3.1 · staff author: Gregory L. Hura; Michal Hammel · non-biomedical
  3. Lin DY, Kueffer LE, Juneja P, Wales TE, Engen JR, Andreotti AH. “Conformational heterogeneity of the BTK PHTH domain drives multiple regulatory states.” eLife 2024 Jan 08 ;12 PMID: 38189455; PMCID: PMC10945472. method SAXS · beamline 12.3.1
  4. Rosenberg DJ, Cunningham FJ, Hubbard JD, Goh NS, Wang JW, Nishitani S, Hayman EB, Hura GL, Landry MP, Pinals RL. “Mapping the Morphology of DNA on Carbon Nanotubes in Solution Using X-ray Scattering Interferometry.” Journal of the American Chemical Society 2024 Jan 10 ;146(1):386-398 PMID: 38158616. method SAXS · beamline 12.3.1 · staff author: Gregory L. Hura · non-biomedical
  5. Roger M, Leone P, Blackburn NJ, Horrell S, Chicano TM, Biaso F, Giudici-Orticoni MT, Abriata LA, Hura GL, Hough MA, Sciara G, Ilbert M. “Beyond the coupled distortion model: structural analysis of the single domain cupredoxin AcoP, a green mononuclear copper centre with original features.” Dalton transactions (Cambridge, England : 2003) 2024 Jan 23 ;53(4):1794-1808 PMID: 38170898; PMCID: PMC10804444. method SAXS · beamline 12.3.1 · staff author: Gregory L. Hura · non-biomedical
  6. Luo Y, Hao H, Wang Z, Ong CY, Dutcher R, Xu Y, Liu J, Pedersen LC, Xu D. “Heparan sulfate promotes TRAIL-induced tumor cell apoptosis.” eLife 2024 Jan 24 ;12 PMID: 38265424; PMCID: PMC10945736. method SAXS · beamline 12.3.1
  7. Bennett AL, Edwards R, Kosheleva I, Saunders C, Bililign Y, Williams A, Bubphamala P, Manosouri K, Anasti K, Saunders KO, Alam SM, Haynes BF, Acharya P, Henderson R. “Microsecond dynamics control the HIV-1 Envelope conformation.” Science advances 2024 Feb 02 ;10(5):eadj0396 PMID: 38306419; PMCID: PMC10836732. method SAXS · beamline 12.3.1
  8. Zhao W, Lin JS, Nielsen JE, Sørensen K, Wadurkar AS, Ji J, Barron AE, Nangia S, Libera MR. “Supramolecular Peptoid Structure Strengthens Complexation with Polyacrylic Acid Microgels.” Biomacromolecules 2024 Feb 12 ;25(2):1274-1281 PMID: 38240722. method SAXS · beamline 12.3.1
  9. Hu Q, Botuyan MV, Mer G. “Identification of a conserved α-helical domain at the N terminus of human DNA methyltransferase 1.” The Journal of biological chemistry 2024 Mar ;300(3):105775 PMID: 38382673; PMCID: PMC10950863. method SAXS · beamline 12.3.1
  10. Milano CR, Ur SN, Gu Y, Zhang J, Allison R, Brown G, Neale MJ, Tromer EC, Corbett KD, Hochwagen A. “Chromatin binding by HORMAD proteins regulates meiotic recombination initiation.” The EMBO journal 2024 Mar ;43(5):836-867. PMID: 38332377; PMCID: PMC10907721. method SAXS · beamline 12.3.1 · non-biomedical
  11. Balakrishnan S, Adolph M, Tsai MS, Akizuki T, Gallagher K, Cortez D, Chazin WJ. “Structure of RADX and mechanism for regulation of RAD51 nucleofilaments.” Proceedings of the National Academy of Sciences of the United States of America 2024 Mar 19 ;121(12):e2316491121 PMID: 38466836. method SAXS · beamline 12.3.1
  12. Dykeman-Bermingham PA, Bogen MP, Chittari SS, Grizzard SF, Knight AS. “Tailoring Hierarchical Structure and Rare Earth Affinity of Compositionally Identical Polymers via Sequence Control.” Journal of the American Chemical Society 2024 Mar 27 ;146(12):8607-8617. PMID: 38470430 DOI: 10.1021/jacs.4c00440 method SAXS · beamline 12.3.1 · non-biomedical
  13. Tamilselvan E, Sotomayor M. “CELSR1, a core planar cell polarity protein, features a weakly adhesive and flexible cadherin ectodomain.” Structure. 2024 Apr 04 ;32(4):476-491.e5 PMID: 38307021. method SAXS · beamline 12.3.1
  14. Brosey CA, TM, Shen R, Moiani D, Burnett K, Hura GL, Jones DE, Tainer JA. “Chemical screening by time-resolved X-ray scattering to discover allosteric probes.” Nature chemical biology 2024 Apr 26. PMID: 38671223 PMCID: PMC11358040 DOI: 10.1038/s41589-024-01609-1 [also TOC3] method MX; SAXS · beamline 12.3.1 · staff author: Gregory L. Hura
  15. Salinas ND, Ma R, McAleese H, Ouahes T, Long CA, Miura K, Lambert LE, Tolia NH. “A Self-Assembling Pfs230D1-Ferritin Nanoparticle Vaccine Has Potent and Durable Malaria Transmission-Reducing Activity.” Vaccines 2024 May 16 ;12(5) PMID: 38793797; PMCID: PMC11125772. method SAXS beamline 12.3.1
  16. Chinnam NB, Thapar R, Arvai AS, Sarker AH, Soll JM, Paul T, Syed A, Rosenberg DJ, Hammel M, Bacolla A, Katsonis P, Asthana A, Tsai MS, Ivanov I, Lichtarge O, Silverman RH, Mosammaparast N, Tsutakawa SE, Tainer JA. “ASCC1 structures and bioinformatics reveal a novel helix-clasp-helix RNA-binding motif ed to a two-histidine phosphodiesterase.” The Journal of biological chemistry 2024 Jun ;300(6):107368 PMID: 38750793; PMCID: PMC11214414. method SAXS · beamline 12.3.1 · staff author: Michal Hammel
  17. Edman NI, Phal A, Redler RL, Schlichthaerle T, Srivatsan SR, Ehnes DD, Etemadi A, An SJ, Favor A, Li Z, Praetorius F, Gordon M, Vincent T, Marchiano S, Blakely L, Lin C, Yang W, Coventry B, Hicks DR, Cao L, Bethel N, Heine P, Murray A, Gerben S, Carter L, Miranda M, Negahdari B, Lee S, Trapnell C, Zheng Y, Murry CE, Schweppe DK, Freedman BS, Stewart L, Ekiert DC, Schlessinger J, Shendure J, Bhabha G, Ruohola-Baker H, Baker D. “Modulation of FGF pathway signaling and vascular differentiation using designed oligomeric assemblies.” Cell 2024 Jul 11 ;187(14):3726-3740.e43 PMID: 38861993. method SAXS · beamline 12.3.1
  18. Jiang H, Jude KM, Wu K, Fallas J, Ueda G, Brunette TJ, Hicks DR, Pyles H, Yang A, Carter L, Lamb M, Li X, Levine PM, Stewart L, Garcia KC, Baker D. “De novo design of buttressed loops for sculpting protein functions.” Nature chemical biology 2024 Aug ;20(8):974-980 PMID: 38816644; PMCID: PMC11288887. method SAXS · beamline 12.3.1
  19. Hackett JC, Krueger S, Urban VS, Zárate-Pérez F. “Small angle scattering reveals the orientation of cytochrome P450 19A1 in lipoprotein nanodiscs.” Journal of inorganic biochemistry 2024 Aug ;257:112579 PMID: 38703512. method SAXS · beamline 12.3.1
  20. Mishra N, Gido CD, Herdendorf TJ, Hammel M, Hura GL, Fu ZQ, Geisbrecht BV. “S. aureus Eap is a polyvalent inhibitor of neutrophil serine proteases.” The Journal of biological chemistry 2024 Aug 02 :107627 PMID: 39098536. method SAXS · beamline 12.3.1 · staff author: Gregory L. Hura; Michal Hammel
  21. Semper C, Watanabe N, Karimullina E, Patel DT, Di Leo R, Castellanos M, Patel DH, Chaconas G, Savchenko A. “Structure analysis of the telomere resolvase from the Lyme disease spirochete Borrelia garinii reveals functional divergence of its C-terminal domain.” Nucleic acids research 2024 Aug 12 ;52(14):8431-8442 PMID: 38979576. method SAXS · beamline 12.3.1
  22. Fan Y, Rigas D, Kim LJ, Chang FP, Zang N, McKee K, Kemball CC, Yu Z, Winkler P, Su WC, Jessen P, Hura GL, Chen T, Koenig SG, Nagapudi K, Leung D, Yen CW. “Physicochemical and structural insights into lyophilized mRNA-LNP from lyoprotectant and buffer screenings.” Journal of controlled release: official journal of the Controlled Release Society 2024 Sep ;373:727-737 PMID: 39059500. method SAXS · beamline 12.3.1 · staff author: Gregory L. Hura
  23. Khan SA, Hicks A, Leite WC, Byrnes J, Gorai B, Mroginski MA, O’Neill H, Miller AF. “Extended conformations of bifurcating electron transfer flavoprotein constitute up to half the population, possibly mediating conformational change.” Chemical science 2024 Oct 23 ;15(45):18796-817 PMID: 39512923 PMCID: PMC11536132 DOI: 10.1039/d4sc04544k. method SAXS · beamline 12.3.1 · non-biomedical
  24. Allert MJ, Kumar S, Wang Y, Beese LS, Hellinga HW. “Accurate Identification of Periplasmic Urea-binding Proteins by Structure- and Genome Context-assisted Functional Analysis.” Journal of molecular biology 2024 Nov 15 ;436(22):168780. PMID: 39241982 DOI: 10.1016/j.jmb.2024.168780 method SAXS · beamline 12.3.1 · non-biomedical
  25. Kc S, Nguyen KH, Nicholson V, Walgren A, Trent T, Gollub E, Romero-Perez PS, Holehouse AS, Sukenik S, Boothby TC. “Disordered proteins interact with the chemical environment to tune their protective function during drying.” eLife 2024 Nov 19 ;13 PMID: 39560655; PMCID: PMC11575898 DOI: 10.7554/eLife.97231. method SAXS · beamline 12.3.1 · non-biomedical
  26. McElroy CA, Ihms EC, Kumar Yadav D, Holmquist ML, Wadhwa V, Wysocki VH, Gollnick P, Foster MP. “Solution structure, dynamics and tetrahedral assembly of Anti-TRAP, a homo-trimeric triskelion-shaped regulator of tryptophan biosynthesis in Bacillus subtilis.” Journal of structural biology: X 2024 Dec;10:100103. PMID: 39035014; PMCID: PMC11255114. method SAXS · beamline 12.3.1 · non- biomedical
  27. Chittari SS, Dykeman-Bermingham PA, Bogen MP, Knight AS. Structure-Function Insights into Thermoresponsive Copolymers as Lanthanide Precipitants. J Am Chem Soc. 2024 Dec 11;146(49):33499-33508. doi: 10.1021/jacs.4c10427. PubMed PMID: 39586773. method SAXS · beamline 12.3.1 · non-biomedical
  28. Cartwright M, Parakra R, Oduwole A, Zhang F, Deredge DJ, Smith AT. “Identification of an Intrinsically Disordered Region (IDR) in Arginyltransferase 1 (ATE1).” Biochemistry 2024 Dec 17 ;63(24):3236-3249 PMID: 39642180. method SAXS · beamline 12.3.1
  29. Kibler RD, Lee S, Kennedy MA, Wicky BIM, Lai SM, Kostelic MM, Carr A, Li X, Chow CM, Nguyen TK, Carter L, Wysocki VH, Stoddard BL, Baker D. “Design of pseudosymmetric protein hetero-oligomers.” Nature communications 2024 Dec 18 ;15(1):10684. PMID: 39695145 PMCID: PMC11655659 DOI: 10.1038/s41467-024-54913-8 [also TOC1] method MX, SAXS · beamline 12.3.1, 5.0.2
  30. Sholes A, Asongakap R, Jaconski S, Monroe J, Berndsen CE. “Potassium cations expand the conformation ensemble of Arabidopsis thaliana β-amylase2 (BAM2).” microPublication biology 2024 ;2024 PMID: 39109193; PMCID: PMC11301517. method SAXS · beamline 12.3.1 · non-biomedical
  31. Ruocco V, Grünwald-Gruber C, Rad B, Tscheliessnig R, Hammel M, Strasser R. “Effects of N-glycans on the structure of human IgA2.” Frontiers in molecular biosciences 2024 ;11:1390659 PMID: 38645274; PMCID: PMC11026580. method SAXS · beamline 12.3.1 · staff author: Michal Hammel
  32. Kim LJ, Shin D, Leite WC, O’Neill H, Ruebel O, Tritt A, Hura GL. “Simple Scattering: Lipid nanoparticle structural data repository.” Frontiers in molecular biosciences 2024 ;11:1321364 PMID: 38584701; PMCID: PMC10998447. method SAXS · beamline 12.3.1 · staff author: Gregory L. Hura
  33. Nelson AD, Wang L, Laffey KG, Becher LRE, Parks CA, Hoffmann MM, Galeano BK, Mangalam A, Teixeiro E, White TA, Schrum AG, Cannon JF, Gil D. “Rigid crosslinking of the CD3 complex leads to superior T cell stimulation.” Frontiers in immunology 2024 ;15:1434463 PMID: 39281668; PMCID: PMC11392757. method SAXS · beamline 12.3.1

TOC3 — Flexible Macromolecular Crystallography (MX) (16)

  1. Song, Y., X. Cai, M. Wang, D. Du, Y. Lin, and C.-L. Chen, “Assembly of highly efficient aqueous light-harvesting system from sequence-defined peptoids for cytosolic microRNA detection,” Nano Research 17, 788-796 (2024). (doi:10.1007/s12274-023-6008-0). No PMID. method MX · beamline 8.3.1
  2. Mendez D, Holton JM, Lyubimov AY, Hollatz S, Mathews II, Cichosz A, Martirosyan V, Zeng T, Stofer R, Liu R, Song J, McPhillips S, Soltis M, Cohen AE. Deep residual networks for crystallography trained on synthetic data. Acta Crystallogr D Struct Biol. 2024 Jan 1;80(Pt 1):26-43. doi: 10.1107/S2059798323010586. Epub 2024 Jan 1. PMID: 38164955; PMCID: PMC10833344. method MX · beamline 8.3.1 · staff author: James Holton
  3. Ali BA, Judy RM, Chowdhury S, Jacobsen NK, Castanzo DT, Carr KL, Richardson CD, Lander GC, Martin A, Gardner BM. “The N1 domain of the peroxisomal AAA-ATPase Pex6 is required for Pex15 binding and proper assembly with Pex1.” The Journal of biological chemistry 2024 Jan ;300(1):105504. PMID: 38036174; PMCID: PMC10777020. (BL 8.3.1, TOC3) method MX · beamline 8.3.1
  4. Schönherr H, et al. Discovery of lirafugratinib (RLY-4008), a highly selective irreversible small-molecule inhibitor of FGFR2. Proc Natl Acad Sci U S A. 2024 Feb 6. doi: 10.1073/pnas.2317756121. PMID: 38300868; PMCID: PMC10861881. method MX · beamline 8.3.1
  5. Velagapudi UK, et al. Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks. Biochem J. 2024 Mar 20. doi: 10.1042/BCJ20230406. PMID: 38372302; PMCID: PMC11070930. method MX · beamline 8.3.1
  6. Lu L, et al. De novo design of drug-binding proteins with predictable binding energy and specificity. Science. 2024 Apr 5. doi: 10.1126/science.adl5364. PMID: 38574125; PMCID: PMC11290694. method MX beamline 8.3.1
  7. Rakotoharisoa RV, et al. Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling. J Am Chem Soc. 2024 Apr 10. doi: 10.1021/jacs.4c00677. PMID: 38532610. method MX · beamline 8.3.1
  8. Zheng R, Zhao M, Du JS, Sudarshan TR, Zhou Y, Paravastu AK, et al. Assembly of short amphiphilic peptoids into nanohelices with controllable supramolecular chirality. Nat Commun. 2024 Apr 16;15(1):3264. doi: 10.1038/s41467-024-46839-y. PubMed PMID: 38627405; PubMed Central PMCID: PMC11021492. method MX · beamline 8.3.1 · non-biomedical
  9. Parkins A, Pilien AVR, Wolff AM, Argueta C, Vargas J, Sadeghi S, et al. The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J Med Chem. 2024 May 9;67(9):7359-7372. doi: 10.1021/acs.jmedchem.4c00177. PubMed PMID: 38670943. method MX · beamline 8.3.1
  10. Shao L, Hu D, Zheng SL, Trinh TKH, Zhou W, Wang H, et al. Hierarchical Self-Assembly of Multidimensional Functional Materials from Sequence-Defined Peptoids. Angew Chem Int Ed Engl. 2024 Jun 10;63(24):e202403263. doi: 10.1002/anie.202403263. PubMed PMID: 38657031. method MX · beamline 8.3.1 · non-biomedical
  11. Díaz RE, Ecker AK, Correy GJ, Asthana P, Young ID, Faust B, Thompson MC, Seiple IB, Van Dyken S, Locksley RM, Fraser JS. Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase. Elife. 2024 Jun 17;12:RP89918. doi: 10.7554/eLife.89918. PMID:38884443; PMCID: PMC11182645. (BL 8.3.1, TOC3) method MX · beamline 8.3.1
  12. Beernink PT, et al. Gonococcal Mimitope Vaccine Candidate Forms a Beta-Hairpin Turn and Binds Hydrophobically to a Therapeutic Monoclonal Antibody. JACS Au. 2024 Jul 5. doi: 10.1021/jacsau.4c00359. PMID: 39055159; PMCID: PMC11267536. method MX · beamline 8.3.1
  13. Weaver J, Craven GB, Tram L, Chen H, Taunton J. Aminomethyl Salicylaldehydes Lock onto a Surface Lysine by Forming an Extended Intramolecular Hydrogen Bond Network. J Am Chem Soc. 2024 Sep 4;146(35):24233-24237. doi: 10.1021/jacs.4c04314. PubMed PMID: 39177126. method MX · beamline 8.3.1
  14. Nadel CM, et al. Phosphorylation of tau at a single residue inhibits binding to the E3 ubiquitin ligase, CHIP. Nat Commun. 2024 Sep 12. doi: 10.1038/s41467-024-52075-1. PMID: 39266525; PMCID: PMC11393453. method MX · beamline 8.3.1
  15. Del Rio Flores A, et al. Enzymatic synthesis of azide by a promiscuous N-nitrosylase. Nat Chem. 2024 Dec 1. doi: 10.1038/s41557-024-01646-2. PMID: 39333393; PMCID: PMC11611683. method MX · beamline 8.3.1 · non-biomedical
  16. Bragagnolo N, et al. The 1.3 Å resolution structure of the truncated group Ia type IV pilin from Pseudomonas aeruginosa strain P1. Acta Crystallogr D Struct Biol. 2024 Dec 1. doi: 10.1107/S205979832401132X. PMID: 39607821; PMCID: PMC11626772. method MX · beamline 8.3.1

TOC4 — High-Throughput X-Ray Mass Spectrometry (XFMS) (4)

  1. He L, McAndrew R, Barbu R, Gifford G, Halacoglu C, Drouin-Allaire C, Weber L, Kristensen LG, Gupta S, Chen Y, Petzold CJ, Allaire M, Li KH, Ralston CY, Gochin M. Structure and Interactions of HIV-1 gp41 CHR-NHR Reverse Hairpin Constructs Reveal Molecular Determinants of Antiviral Activity. J Mol Biol. 2024 Aug 15;436(16):168650. doi: 10.1016/j.jmb.2024.168650. Epub 2024 Jun 10. PMID: 38866091; PMCID: PMC11297672 [also TOC1] method: MX; XFMS · beamline 3.3.1, 5.0.1, 5.0.2 · staff author: Corie Y. Ralston; Sayan Gupta
  2. Kristensen LG, Gupta S, Chen Y, Petzold CJ, Ralston CY. Residue-Specific Epitope Mapping of the PD-1/Nivolumab Interaction Using X-ray Footprinting Mass Spectrometry. Antibodies (Basel). 2024 Sep 19;13(3):77. doi: 10.3390/antib13030077. PMID: 39311382PMCID: PMC11417893 DOI: 10.3390/antib13030077. method: XFMS · beamline 3.3.1· staff author: Corie Y. Ralston; Sayan Gupta
  3. Sutter M, Utschig LM, Niklas J, Paul S, Kahan DN, Gupta S, Poektov OG, Ferlez BH, Tefft NM, TerAvest MA, Hickey DP, Vermaas JV, Ralston CY, Kerfeld CA. Electrochemical cofactor recycling of bacterial microcompartments. Proc Natl Acad Sci U S A. 2024 Dec 3;121(49): e2414220121. PMID: 39585991 PMCID: PMC11626177 DOI: 10.1073/pnas.2414220121. method: XFMS · beamline 3.3.1· staff author: Corie Y. Ralston · non-biomedical
  4. S. Raza, D. Sarkar, L.G. Chan, J. Mae, M. Sutter, C.J. Petzold, C.A. Kerfeld, C.Y. Ralston, S. Gupta, J.V. Vermaas. Comparative Pore Structure and Dynamics for Bacterial Microcompartment Shell Protein Assemblies in Sheets or Shells, ACS Omega, July 18, 2024, doi.org/10.1021/acsomega.4c02406 PMID: 39184480 PMCID: PMC11339822. method: XFMS · beamline 3.3.1· staff author: Corie Y. Ralston; Sayan Gupta · non-biomedical

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