ALS-ENABLE Publications: 2023

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

TOC1 — Rapid Response Crystallography (81)

  1. Ida Lin, Peter B. Rupert, Kristina Pilat, Raymond O. Ruff, Della J. Friend, Man Kid Chan, Benjamin G. Hoffstrom, Midori Clarke, Jane Carter, S Soheil Meshinchi, A Ashok D. Bandaranayake, Christopher Mehlin. Novel mesothelin antibodies enable crystallography of the intact mesothelin ectodomain and engineering of potent, T cell-engaging bispecific therapeutics. Frontiers in Drug Discovery. PMID not assigned; doi: 10.3389/fddsv.2023.1216516. method MX · beamline 5.0.1, 5.0.2
  2. Dowling QM, Volkman HE, Gray EE, et al. Computational design of constitutively active cGAS. Nat Struct Mol Biol. 2023 Jan;30(1):72-80. PMID: 36593311. TOC1. method MX · ALS ENABLE beamline · staff author: Banumathi Sankaran
  3. Finton KAK, Rupert PB, Friend DJ, Dinca A, Lovelace ES, Buerger M, et al. Effects of HLA single chain trimer design on peptide presentation and stability. Front Immunol. 2023;14:1170462. doi: 10.3389/fimmu.2023.1170462. PubMed PMID: 37207206; PubMed Central PMCID: PMC10189100. method MX · beamline 5.0.1, 5.0.2
  4. Goldbach N, Benna I, Wicky BIM, Croft JT, Carter L, Bera AK, Nguyen H, Kang A, Sankaran B, Yang EC, et al. De novo design of monomeric helical bundles for pH-controlled membrane lysis. Protein Science. 2023;32(11):e4769. PMID: 37632837 PMCID: PMC10578055 method MX · beamline 8.2.2 · staff author: Banumathi Sankaran
  5. Grünberg S, Doyle LA, Wolf EJ, et al. The structural basis of mRNA recognition and binding by yeast pseudouridine synthase PUS1. PloS one. 2023;18(11):e0291267. PMID: 37939088; PMCID: PMC10631681. Beamline 5.0.1. method MX · beamline 5.0.1
  6. Lancaster EB, Johnson WH Jr, LeVieux JA, Hardtke HA, Zhang YJ, Whitman CP. A mutagenic analysis of NahE, a hydratase-aldolase in the naphthalene degradative pathway. Arch Biochem Biophys. 2023 Jan 1;733:109471. doi: 10.1016/j.abb.2022.109471. PubMed PMID: 36522814; PubMed Central PMCID: PMC9762252. method MX · beamline 5.0.2 · non-biomedical
  7. Scelsi HF, Hill KR, Barlow BM, Martin MD, Lieberman RL. Quantitative differentiation of benign and misfolded glaucoma-causing myocilin variants on the basis of protein thermal stability. Dis Model Mech. 2023 Jan 1;16(1). doi: 10.1242/dmm.049816. PubMed PMID: 36579626; PubMed Central PMCID: PMC9844228. method MX · beamline 5.0.2
  8. Rodarte JV, Baehr C, Hicks D, et al. Structures of drug-specific monoclonal antibodies bound to opioids and nicotine reveal a common mode of binding. Structure. 2023 Jan 5;31(1):20-32.e5. PMID: 36513069. Beamline 5.0.1. method MX · beamline 5.0.1
  9. Judge A, Hu L, Sankaran B, et al. Mapping the determinants of catalysis and substrate specificity of the antibiotic resistance enzyme CTX-M -lactamase. Commun Biol. 2023 Jan 12;6(1):35. PMID: 36635385; PMCID: PMC9837174. Beamline 8.2.1. method MX · beamline 8.2.1 · staff author: Banumathi Sankaran
  10. Stokes RW, Kohlbrand AJ, Seo H, Sankaran B, Karges J, Cohen SM. Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors. ACS Med Chem Lett. 2023 Jan 12;14(1):75-82. doi: 10.1021/acsmedchemlett.2c00434. PubMed PMID: 36655124; PubMed Central PMCID: PMC9841593. [also TOC3] method MX · beamline 5.0.1, 5.0.3, 8.2.1, 8.3.1 · staff author: Banumathi Sankaran
  11. Oh J, Kimoto M, Xu H, Chong J, Hirao I, Wang D. Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase. Nat Commun. 2023 Jan 13;14(1):195. doi: 10.1038/s41467-022-35755-8. PubMed PMID: 36635281; PubMed Central PMCID: PMC9836923. method MX · beamline 5.0.1, 8.2.1
  12. Huang WS, Li F, Gong Y, Zhang Y, Youngsaye W, Xu Y, et al. Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer. Bioorg Med Chem Lett. 2023 Jan 15;80:129084. doi: 10.1016/j.bmcl.2022.129084. PubMed PMID: 36423823. beamline 5.0.2
  13. Zhang B, Lewis JA, Kovacs F, Sattler SE, Sarath G, Kang C. Activity of Cytosolic Ascorbate Peroxidase (APX) from Panicum virgatum against Ascorbate and Phenylpropanoids. Int J Mol Sci. 2023 Jan 16;24(2). doi: 10.3390/ijms24021778. PubMed PMID: 36675291; PubMed Central PMCID: PMC9864165. method MX beamline 5.0.1, 8.2.2 · non-biomedical
  14. Ledray AP, Dwaraknath S, Chakarawet K, et al. Tryptophan Can Promote Oxygen Reduction to Water in a Biosynthetic Model of Heme Copper Oxidases. Biochemistry. 2023 Jan 17;62(2):388-395. PMID: 36215733; PMCID: PMC10199329. Beamline 5.02. method MX · beamline [format unclear — needs manual check]
  15. Tamadonfar KO, Di Venanzio G, Pinkner JS, et al. Structure-function correlates of fibrinogen binding by Acinetobacter adhesins critical in catheter-associated urinary tract infections. Proc Natl Acad Sci U S A. 2023 Jan 24;120(4):e2212694120. PMID: 36652481; PMCID: PMC9942807. Beamline 4.2.2. method MX · beamline 4.2.2
  16. Sriraman SK, Davies CW, Gill H, Kiefer JR, Yin J, Ogasawara A, et al. Development of an (18)F-labeled anti-human CD8 VHH for same-day immunoPET imaging. Eur J Nucl Med Mol Imaging. 2023 Feb;50(3):679-691. doi: 10.1007/s00259-022-05998-0. PubMed PMID: 36346438. method MX · beamline 5.0.2
  17. Slavish PJ, Cuypers MG, Rimmer MA, Abdolvahabi A, Jeevan T, Kumar G, et al. Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur J Med Chem. 2023 Feb 5;247:115035. doi: 10.1016/j.ejmech.2022.115035. PubMed PMID: 36603507. method MX · beamline 8.2.1
  18. Prener L, Baszczyňski O, Kaiser MM, Dračínský M, Stepan G, Lee YJ, et al. Design and Synthesis of Novel HIV-1 NNRTIs with Bicyclic Cores and with Improved Physicochemical Properties. J Med Chem. 2023 Feb 9;66(3):1761-1777. doi: 10.1021/acs.jmedchem.2c01574. PubMed PMID: 36652602; PubMed Central PMCID: PMC10017027. method MX · beamline 5.0.2
  19. Gable JA, Poulos TL, Follmer AH. Cooperative Substrate Binding Controls Catalysis in Bacterial Cytochrome P450terp (CYP108A1). J Am Chem Soc. 2023 Feb 13. doi: 10.1021/jacs.2c12388. PubMed PMID: 36779970; PubMed Central PMCID: PMC10576961. method MX · beamline 5.0.2, 8.2.1
  20. Krumberger M, Li X, Kreutzer AG, Peoples AJ, Nitti AG, Cunningham VA, et al. Synthesis and Stereochemical Determination of the Peptide Antibiotic Novo29. J Org Chem. 2023 Feb 17;88(4):2214-2220. doi: 10.1021/acs.joc.2c02648. PubMed PMID: 36655882; PubMed Central PMCID: PMC9942206. method MX · beamline BCSB
  21. Tambo CS, Tripathi S, Perera BGK, et al. Biolayer Interferometry Assay for Cyclin-Dependent Kinase-Cyclin Association Reveals Diverse Effects of Cdk2 Inhibitors on Cyclin Binding Kinetics. ACS Chem Biol. 2023 Feb 17;18(2):431-440. PMID: 36724382. Beamline 5.0.1. method MX · beamline 5.0.1
  22. Denison M, Ahrens JJ, Dunbar MN, et al. Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4. Inorg Chem. 2023 Feb 20;62(7):3305-3320. PMID: 36758158; PMCID: PMC10268476. Beamline 5.0.2. method MX · beamline 5.0.2
  23. Sharon I, McKay GA, Nguyen D, Schmeing TM. Discovery of cyanophycin dipeptide hydrolase enzymes suggests widespread utility of the natural biopolymer cyanophycin. Proc Natl Acad Sci U S A. 2023 Feb 21;120(8):e2216547120. PMID: 36800389. Beamline 5.0.1. method MX · beamline 5.0.1 · non-biomedical
  24. Zhu P, Nguyen KT, Estelle AB, et al. Genetic encoding of 3-nitro-tyrosine reveals the impacts of 14-3-3 nitration on client binding and dephosphorylation. Protein Sci. 2023 Mar;32(3):e4574. PMID: 36691781. Beamlines 5.0.1, 5.0.2. method MX · beamline 5.0.1, 5.0.2
  25. Parkins A, Das P, Prahaladan V, et al. 2,5-Pyridinedicarboxylic acid is a bioactive and highly selective inhibitor of D-dopachrome tautomerase. Structure. 2023 Mar 2;31(3):355-367.e4. PMID: 36805127. Beamline 8.2.1. method MX · beamline 8.2.1
  26. Salinas R, Cannistraci E, Schumacher MA. Structure of the T. brucei kinetoplastid RNA editing substrate-binding complex core component, RESC5. PLoS One. 2023 Mar 2;18(3):e0282155. PMID: 36862634. Beamlines 5.0.1, 5.0.2. method MX · beamline 5.0.1, 5.0.2
  27. Tsutsumi N, Hwang S, Waghray D, et al. Structure of the Wnt-Frizzled-LRP6 initiation complex reveals the basis for coreceptor discrimination. Proc Natl Acad Sci U S A. 2023 Mar 14;120(11):e2218238120. PMID: 36893265; PMCID: PMC10089208. Beamline 2.0.1. method MX · beamline 2.0.1
  28. Wang JYJ, Khmelinskaia A, Sheffler W, et al. Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains. Proc Natl Acad Sci U S A. 2023 Mar 14;120(11):e2214556120. PMID: 36888664. Beamlines 8.2.2, 8.2.1. method MX · beamline 8.2.2, 8.2.1
  29. Bonazzi S, d’Hennezel E, Beckwith REJ, Xu L, Fazal A, Magracheva A, et al. Discovery and characterization of a selective IKZF2 glue degrader for cancer immunotherapy. Cell Chem Biol. 2023 Mar 16;30(3):235-247.e12. doi: 10.1016/j.chembiol.2023.02.005. PubMed PMID: 36863346. method MX · beamline 5.0.1, 5.0.2
  30. Yang KS, Blankenship LR, Kuo SA, Sheng YJ, Li P, Fierke CA, et al. A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease. ACS Chem Biol. 2023 Mar 17;18(3):449-455. doi: 10.1021/acschembio.2c00695. PubMed PMID: 36629751; PubMed Central PMCID: PMC10023456. method MX · beamline 5.0.2
  31. Foley MH, Walker ME, Stewart AK, O’Flaherty S, Gentry EC, Patel S, et al. Bile salt hydrolases shape the bile acid landscape and restrict Clostridioides difficile growth in the murine gut. Nat Microbiol. 2023 Apr;8(4):611-628. doi: 10.1038/s41564-023-01337-7. PubMed PMID: 36914755; PubMed Central PMCID: PMC10066039. method MX · beamline 5.0.2
  32. Pitsawong W, Pádua RAP, Grant T, Hoemberger M, Otten R, Bradshaw N, et al. From primordial clocks to circadian oscillators. Nature. 2023 Apr;616(7955):183-189. doi: 10.1038/s41586-023-05836-9. PubMed PMID: 36949197; PubMed Central PMCID: PMC10076222. method MX · beamline 8.2.1
  33. Wisedchaisri G, Gamal El-Din TM, Zheng N, Catterall WA. Structural basis for severe pain caused by mutations in the S4-S5 linkers of voltage-gated sodium channel Na(V)1.7. Proc Natl Acad Sci U S A. 2023 Apr 4;120(14):e2219624120. doi: 10.1073/pnas.2219624120. PubMed PMID: 36996107; PubMed Central PMCID: PMC10083536. method MX · beamline 8.2.1, 8.2.2
  34. Thakur AK, Miller SE, Liau NPD, et al. Synthetic Multivalent Disulfide-Constrained Peptide Agonists Potentiate Wnt1/-Catenin Signaling via LRP6 Coreceptor Clustering. ACS Chem Biol. 2023 Apr 21;18(4):772-784. PMID: 36893429. Beamlines 5.01, 5.0.2. method MX · beamline 5.0.2
  35. Ghafoori SM, Petersen GF, Conrady DG, Calhoun BM, Stigliano MZZ, Baydo RO, et al. Structural characterisation of hemagglutinin from seven Influenza A H1N1 strains reveal diversity in the C05 antibody recognition site. Sci Rep. 2023 Apr 28;13(1):6940. doi: 10.1038/s41598-023-33529-w. PubMed PMID: 37117205; PubMed Central PMCID: PMC10140725. method MX · beamline 5.0.2
  36. Huang J, Quest A, Cruz-Morales P, Deng K, Pereira JH, Van Cura D, et al. Complete integration of carbene-transfer chemistry into biosynthesis. Nature. 2023 May;617(7960):403-408. doi: 10.1038/s41586-023-06027-2. PubMed PMID: 37138074; PubMed Central PMCID: PMC11334723. method MX · beamline · staff author: Paul D. Adams
  37. Lu S, Montoya M, Hu L, et al. Mutagenesis and structural analysis reveal the CTX-M -lactamase active site is optimized for cephalosporin catalysis and drug resistance. J Biol Chem. 2023 May;299(5):104630. PMID: 36963495; PMCID: PMC10139949. Beamline 8.2.1. method MX · beamline 8.2.1
  38. Zhang B, Lewis JA, Vermerris W, Sattler SE, Kang C. A sorghum ascorbate peroxidase with four binding sites has activity against ascorbate and phenylpropanoids. Plant Physiol. 2023 May 2;192(1):102- 118. doi: 10.1093/plphys/kiac604. PubMed PMID: 36575825; PubMed Central PMCID: PMC10152656. method MX · beamline 5.0.1, 5.0.2, 8.2.2 · non-biomedical
  39. Shen BW, Doyle LA, Werther R, Westburg AA, Bies DP, Walter SI, et al. Structure, substrate binding and activity of a unique AAA+ protein: the BrxL phage restriction factor. Nucleic Acids Res. 2023 May 8;51(8):3513-3528. doi: 10.1093/nar/gkad083. PubMed PMID: 36794719; PubMed Central PMCID: PMC10164562. method MX · beamline 5.0.1
  40. Ikeda Z, Kamei T, Sasaki Y, Reynolds M, Sakai N, Yoshikawa M, et al. Discovery of a Novel Series of Potent, Selective, Orally Available, and Brain-Penetrable C1s Inhibitors for Modulation of the Complement Pathway. J Med Chem. 2023 May 11;66(9):6354-6371. doi: 10.1021/acs.jmedchem.3c00348. PubMed PMID: 37120845; PubMed Central PMCID: PMC10184130. method MX · beamline 5.0.3
  41. Schmaltz LF, Koag MC, Kou Y, Zhang L, Lee S. Genotoxic effects of the major alkylation damage N7-methylguanine and methyl formamidopyrimidine. Biochem J. 2023 May 15;480(9):573-585. doi: 10.1042/BCJ20220460. PubMed PMID: 37078496; PubMed Central PMCID: PMC11061863. method MX · beamline 5.0.3
  42. Passalacqua LFM, Starich MR, Link KA, Wu J, Knutson JR, Tjandra N, et al. Co-crystal structures of the fluorogenic aptamer Beetroot show that close homology may not predict similar RNA architecture. Nat Commun. 2023 May 23;14(1):2969. doi: 10.1038/s41467-023-38683-3. PubMed PMID: 37221204; PubMed Central PMCID: PMC10205801. method MX · beamline 5.0.1, 5.0.2
  43. Sharon I, Schmeing TM. Bioinformatics of cyanophycin metabolism genes and characterization of promiscuous isoaspartyl dipeptidases that catalyze the final step of cyanophycin degradation. Sci Rep. 2023 May 23;13(1):8314. PMID: 37221236; PMCID: PMC10206079. Beamline 5.0.1. method MX · beamline 5.0.1 · non-biomedical
  44. Dr. Ziyuan Fang, Dr. Yuliya Dantsu, Dr. Cen Chen, Prof. Wen Zhang, Prof. Zhen Huang, Hongjun Dong, Michelle C.Y. Chang. Synthesis of Pyrimidine Modified Seleno-DNA as a Novel Approach to Antisense Candidate. ChemistrySelect. PMID not assigned; doi: 10.1002/slct.202302253. method MX · beamline 5.0.1, 8.2.1, 8.2.2
  45. Bajaj T, et al. Crystal structure of the kinase domain of a receptor tyrosine kinase from a choanoflagellate, Monosiga brevicollis. PLoS One. 2023 Jun 13. doi: 10.1371/journal.pone.0276413. PMID: 37310965; PMCID: PMC10263333. method MX · beamline 8.2.1
  46. Yang R, Kvetny M, Brown W, Ogbonna EN, Wang G. A Single-Entity Method for Actively Controlled Nucleation and High-Quality Protein Crystal Synthesis. Anal Chem. 2023 Jun 27;95(25):9462-9470. doi: 10.1021/acs.analchem.3c00175. PubMed PMID: 37243709; PubMed Central PMCID: PMC10308327. method MX · beamline 8.2.1
  47. Bonazzi S, Gray A, Thomsen NM, Biag J, Labbe-Giguere N, Keaney EP, et al. Identification of Brain-Penetrant ATP-Competitive mTOR Inhibitors for CNS Syndromes. J Med Chem. 2023 Jul 13;66(13):9095-9119. doi: 10.1021/acs.jmedchem.3c00705. PubMed PMID: 37399505. method MX · beamline 5.0.2
  48. Mitchell ME, Gatzeva-Topalova PZ, Bargmann AD, Sammakia T, Sousa MC. Targeting the Conformational Change in ArnA Dehydrogenase for Selective Inhibition of Polymyxin Resistance. Biochemistry. 2023 Jul 18;62(14):2216-2227. doi: 10.1021/acs.biochem.3c00227. PubMed PMID: 37410993; PubMed Central PMCID: PMC10914316. method MX · beamline 8.2.2
  49. Cordoza JL, Chen PY, Blaustein LR, Lima ST, Fiore MF, Chekan JR, et al. Mechanistic and Structural Insights into a Divergent PLP-Dependent l-Enduracididine Cyclase from a Toxic Cyanobacterium. ACS Catal. 2023 Jul 21;13(14):9817-9828. doi: 10.1021/acscatal.3c01294. PubMed PMID: 37497377; PubMed Central PMCID: PMC10367076. method MX · beamline 8.2.1
  50. Liu Y, Marshall NM, Yu SS, Kim W, Gao YG, Robinson H, et al. Structural Basis for the Effects of Phenylalanine on Tuning the Reduction Potential of Type 1 Copper in Azurin. Inorg Chem. 2023 Jul 24;62(29):11618-11625. doi: 10.1021/acs.inorgchem.3c01365. PubMed PMID: 37424080. method MX · beamline 5.0.2 · non-biomedical
  51. Terrell JR, Taylor SJ, Schneider AL, Lu Y, Vernon TN, Xhani S, et al. DNA selection by the master transcription factor PU.1. Cell Rep. 2023 Jul 25;42(7):112671. doi: 10.1016/j.celrep.2023.112671. PubMed PMID: 37352101; PubMed Central PMCID: PMC10479921. method MX · beamline 5.0.2, 8.2.2
  52. Vasu D, Do HT, Li H, Hardy CD, Awasthi A, Poulos TL, et al. Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors. J Med Chem. 2023 Jul 27;66(14):9934-9953. doi: 10.1021/acs.jmedchem.3c00782. PubMed PMID: 37433128; PubMed Central PMCID: PMC10824152. method MX · beamline 5.0.2, 8.2.1
  53. Yang A, Jude KM, Lai B, Minot M, Kocyla AM, Glassman CR, et al. Deploying synthetic coevolution and machine learning to engineer protein-protein interactions. Science. 2023 Jul 28;381(6656):eadh1720. doi: 10.1126/science.adh1720. PubMed PMID: 37499032; PubMed Central PMCID: PMC10403280. method MX beamline 5.0.2
  54. Powell MM, Rao G, Britt RD, Rittle J. Enzymatic Hydroxylation of Aliphatic C-H Bonds by a Mn/Fe Cofactor. Journal of the American Chemical Society. 2023 Aug 02;145(30):16526-16537. PMID: 37471626 PMCID: PMC10401708 DOI: 10.1021/jacs.3c03419. method MX · beamline 8.2.2, 5.0.2
  55. Jimmidi R, Chamakuri S, Lu S, et al. DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors. Communications chemistry. 2023 Aug 04;6(1):164. PMID: 37542196; PMCID: PMC10403511. TOC1. method MX · beamline 8.2.1· staff author: Banumathi Sankaran
  56. Praetorius F, Leung PJY, Tessmer MH, Broerman A, Demakis C, Dishman AF, et al. Design of stimulus-responsive two-state hinge proteins. Science. 2023 Aug 18;381(6659):754-760. doi: 10.1126/science.adg7731. PubMed PMID: 37590357; PubMed Central PMCID: PMC10697137. method MX beamline 8.2.1, 8.2.2 · staff author: Banumathi Sankaran
  57. Kim C, Ludewig H, Hadzipasic A, et al. A biophysical framework for double-drugging kinases. Proceedings of the National Academy of Sciences of the United States of America. 2023 Aug 22;120(34):e2304611120. PMID: 37590418; PMCID: PMC10450579. Beamlines 8.2.1, 5.0.1. method MX · beamline 8.2.1, 5.0.1
  58. Nayeen MJ, Katinas JM, Magdum T, et al. Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. Journal of medicinal chemistry. 2023 Aug 24;66(16):11294-11323. PMID: 37582241. Beamline 4.2.2. method MX · beamline 4.2.2
  59. Zhu N, Mealka M, Mitchel S, Milani C, Acuña LM, Rogers E, et al. X-ray Crystallographic Study of Preferred Spacing by the NF-κB p50 Homodimer on κB DNA. Biomolecules. 2023 Aug 26;13(9). doi: 10.3390/biom13091310. PubMed PMID: 37759710; PubMed Central PMCID: PMC10527052. method MX · beamline 8.2.1
  60. de Miranda R, Cuthbert BJ, Klevorn T, Chao A, Mendoza J, Arbing M, et al. Differentiating the roles of Mycobacterium tuberculosis substrate binding proteins, FecB and FecB2, in iron uptake. PLoS Pathog. 2023 Sep;19(9):e1011650. doi: 10.1371/journal.ppat.1011650. PubMed PMID: 37747938; PubMed Central PMCID: PMC10553834. method MX · beamline 8.2.1
  61. Govande AA, Babnis AW, Urban C, Habjan M, Hartmann R, Kranzusch PJ, et al. RNase L-activating 2′-5′ oligoadenylates bind ABCF1, ABCF3 and Decr-1. J Gen Virol. 2023 Sep;104(9). doi: 10.1099/jgv.0.001890. PubMed PMID: 37676257. method MX · beamline 8.2.2
  62. Rodríguez-Hernández D, Vijayan K, Zigweid R, et al. Identification of potent and selective N-myristoyltransferase inhibitors of Plasmodium vivax liver stage hypnozoites and schizonts. Nature communications. 2023 Sep 05;14(1):5408. PMID: 37669940; PMCID: PMC10480161. Beamline 8.2.2. method MX · beamline 8.2.2
  63. Lewis JA, Zhang B, Harza R, Palmer N, Sarath G, Sattler SE, et al. Structural Similarities and Overlapping Activities among Dihydroflavonol 4-Reductase, Flavanone 4-Reductase, and Anthocyanidin Reductase Offer Metabolic Flexibility in the Flavonoid Pathway. Int J Mol Sci. 2023 Sep 9;24(18). doi: 10.3390/ijms241813901. PubMed PMID: 37762209; PubMed Central PMCID: PMC10531346. method MX · beamline 5.0.1, 5.0.2, 5.0.3, 8.2.2 · non-biomedical
  64. Huang R, Warner Jenkins G, Kim Y, et al. The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2. Proceedings of the National Academy of Sciences of the United States of America. 2023 Sep 26;120(39):e2303455120. PMID: 37722054; PMCID: PMC10523490. Beamline 5.0.1. method MX · beamline 5.0.1
  65. Jiang Z, Chen A, Chen J, Sekhon A, Louie GV, Noel JP, et al. Masked cerulenin enables a dual- site selective protein crosslink. Chem Sci. 2023 Oct 11;14(39):10925-10933. doi: 10.1039/d3sc02864j. PubMed PMID: 37829009; PubMed Central PMCID: PMC10566503. beamline 8.2.1
  66. Fenwick MK, Reers AR, Liu Y, Zigweid R, Sankaran B, Shin J, et al. Identification of and Structural Insights into Hit Compounds Targeting N-Myristoyltransferase for Cryptosporidium Drug Development. ACS Infect Dis. 2023 Oct 13;9(10):1821-1833. doi: 10.1021/acsinfecdis.3c00151. PubMed PMID: 37722671; PubMed Central PMCID: PMC10580320. method MX · beamline 8.2.1, 8.2.2 · staff author: Banumathi Sankaran
  67. Salmen W, Hu L, Bok M, et al. A single nanobody neutralizes multiple epochally evolving human noroviruses by modulating capsid plasticity. Nature communications. 2023 Oct 16;14(1):6516. PMID: 37845211; PMCID: PMC10579229. Beamline 8.2.2. method MX · beamline 8.2.2
  68. Muñoz-Escudero D, Breazeale SD, Lee M, Guan Z, Raetz CRH, Sousa MC. Structure and Function of ArnD. A Deformylase Essential for Lipid A Modification with 4-Amino-4-deoxy-l-arabinose and Polymyxin Resistance. Biochemistry. 2023 Oct 17;62(20):2970-2981. doi: 10.1021/acs.biochem.3c00293. PubMed PMID: 37782650; PubMed Central PMCID: PMC10914315. method MX · beamline 8.2.2
  69. Lelyveld VS, Fang Z, Szostak JW. Trivalent rare earth metal cofactors confer rapid NP-DNA polymerase activity. Science (New York, N.Y.). 2023 Oct 27;382(6669):423-429. PMID: 37883544; PMCID: PMC10886449. Beamline 8.2.2. method MX · beamline 8.2.2
  70. Yarmarkovich M, Marshall QF, Warrington JM, Premaratne R, Farrel A, Groff D, et al. Targeting of intracellular oncoproteins with peptide-centric CARs. Nature. 2023 Nov;623(7988):820-827. doi: 10.1038/s41586-023-06706-0. PubMed PMID: 37938771; PubMed Central PMCID: PMC10665195. [also TOC3] method MX · beamline 5.0.1, 8.3.1
  71. Schumacher MA, Lent N, Chen VB, et al. Structures of the DarR transcription regulator reveal unique modes of second messenger and DNA binding. Nature communications. 2023 Nov 09;14(1):7239. PMID: 37945601; PMCID: PMC10636190. Beamlines 5.0.2, 5.0.1. method MX · beamline 5.0.2, 5.0.1
  72. Francisco KR, Bruystens J, Varricchio C, McCurdy S, Wu J, Lopez-Ramirez MA, et al. Targeted Reversible Covalent Modification of a Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening for Protein-Protein Interaction Inhibitors. ACS Pharmacol Transl Sci. 2023 Nov 10;6(11):1651-1658. doi: 10.1021/acsptsci.3c00156. PubMed PMID: 37974623; PubMed Central PMCID: PMC10644391. method MX · beamline 8.2.2
  73. Schumacher MA, Salinas R, Travis BA, et al. M. mazei glutamine synthetase and glutamine synthetase-GlnK1 structures reveal enzyme regulation by oligomer modulation. Nature communications. 2023 Nov 15;14(1):7375. PMID: 37968329; PMCID: PMC10651883. Beamlines 5.0.2, 5.0.1. method MX · beamline 5.0.2, 5.0.1
  74. Chen J, Lu J, Liu J, Fang J, Zhong X, Song J. DNA conformational dynamics in the context-dependent non-CG CHH methylation by plant methyltransferase DRM2. J Biol Chem. 2023 Dec;299(12):105433. doi: 10.1016/j.jbc.2023.105433. PubMed PMID: 37926286; PubMed Central PMCID: PMC10711165. method MX · beamline 5.0.1 · non-biomedical
  75. Li Z, Wang S, Nattermann U, et al. Accurate computational design of three-dimensional protein crystals. Nature materials. 2023 Dec;22(12):1556-1563. PMID: 37845322. Beamlines 8.2.1, 8.2.2. [also TOC2] method MX · beamline 8.2.1, 8.2.2
  76. Wisedchaisri G, Gamal El-Din TM, Powell NM, Zheng N, Catterall WA. Structural basis for severe pain caused by mutations in the voltage sensors of sodium channel NaV1.7. J Gen Physiol. 2023 Dec 4;155(12). doi: 10.1085/jgp.202313450. PubMed PMID: 37903281; PubMed Central PMCID: PMC10616507. method MX · beamline 5.0.3, 8.2.1, 8.2.2
  77. Simmons CR, Buchberger A, Henry SJW, et al. Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals. Journal of the American Chemical Society. 2023 Dec 06;145(48):26075-26085. PMID: 37987645. Beamline 5.0.2. method MX · beamline 5.0.2
  78. Chen Y, Whitefield B, Nevius E, et al. Identification of Small Molecule Inhibitors and Ligand Directed Degraders of Calcium/Calmodulin Dependent Protein Kinase Kinase 1 and 2 (CaMKK1/2). Journal of medicinal chemistry. 2023 Dec 14;66(23):15750-15760. PMID: 38009718. Beamline 5.0.1. method MX · beamline 5.0.1
  79. Durham TB, Hao J, Spinazze P, et al. Identification of LY3522348: A Highly Selective and Orally Efficacious Ketohexokinase Inhibitor. Journal of medicinal chemistry. 2023 Dec 14;66(23):15960-15976. PMID: 37992274. Beamline 5.0.1. method MX · beamline 5.0.1
  80. Kreutzer AG, Parrocha CMT, Haerianardakani S, et al. Antibodies Raised Against an A Oligomer Mimic Recognize Pathological Features in Alzheimer’s Disease and Associated Amyloid-Disease Brain Tissue. ACS Cent Sci. 2023 Dec 21;10(1):104-121. PMID: 38292607; PMCID: PMC10823522. Beamline 5.0.1. method MX · beamline 5.0.1
  81. Wang JX, Vilbert AC, Cui C, Mirts EN, Williams LH, Kim W, et al. Increasing Reduction Potentials of Type 1 Copper Center and Catalytic Efficiency of Small Laccase from Streptomyces coelicolor through Secondary Coordination Sphere Mutations. Angew Chem Int Ed Engl. 2023 Dec 21;62(52):e202314019. doi: 10.1002/anie.202314019. PubMed PMID: 37926680; PubMed Central PMCID: PMC10842694. method MX · beamline 5.0.2 · non-biomedical

TOC2 — High Quality and High Throughput SAXS (37)

  1. Kappes EC, Kattamuri C, Czepnik M, Yarawsky AE, Brûlé E, Wang Y, Ongaro L, Herr AB, Walton KL, Bernard DJ, Thompson TB. Follistatin Forms a Stable Complex With Inhibin A That Does Not Interfere With Activin A Antagonism. Endocrinology. 2023 Jan 09;164(3). PMID: 36718082. method SAXS · beamline 12.3.1
  2. Gerben SR, Borst AJ, Hicks DR, Moczygemba I, Feldman D, Coventry B, Yang W, Bera AK, Miranda M, Kang A, Nguyen H, Baker D. Design of Diverse Asymmetric Pockets in De Novo Homo-oligomeric Proteins. Biochemistry. 2023 Jan 17;62(2):358-368. PMID: 36627259. method SAXS · beamline 12.3.1
  3. Macdonald R, Mahoney BJ, Soule J, Goring AK, Ford J, Loo JA, Cascio D, Clubb RT. The Shr receptor from Streptococcus pyogenes uses a cap and release mechanism to acquire heme-iron from human hemoglobin. Proceedings of the National Academy of Sciences of the United States of America. 2023 Jan 31;120(5):e2211939120. PMID: 36693107; PMCID: PMC9945957. method SAXS · beamline 12.3.1
  4. Tsai WJ, Lai YH, Shi YA, Hammel M, Duff AP, Whitten AE, Wilde KL, Wu CM, Knott R, Jeng US, Kang CY, Hsu CY, Wu JL, Tsai PJ, Chiang-Ni C, Wu JJ, Lin YS, Liu CC, Senda T, Wang S. Structural basis underlying the synergism of NADase and SLO during group A Streptococcus infection. Communications biology. 2023 Jan 31;6(1):124. PMID: 36721030; PMCID: PMC9887584; doi:10.1038/s42003-023-04502-0. method SAXS · beamline 12.3.1 · staff author: Michal Hammel
  5. Martinez-D’Alto A, Yan X, Detomasi TC, Sayler RI, Thomas WC, Talbot NJ, Marletta MA. Characterization of a unique polysaccharide monooxygenase from the plant pathogen Magnaporthe oryzae. Proceedings of the National Academy of Sciences of the United States of America. 2023 Feb 21;120(8):e2215426120. PMID: 36791100. method SAXS · beamline 12.3.1 · non-biomedical
  6. Kaur G, Ren R, Hammel M, Horton JR, Yang J, Cao Y, He C, Lan F, Lan X, Blobel GA, Blumenthal RM, Zhang X, Cheng X. Allosteric autoregulation of DNA binding via a DNA-mimicking protein domain: a biophysical study of ZNF410-DNA interaction using small angle X-ray scattering. Nucleic acids research. 2023 Feb 28;51(4):1674-1686. PMID: 36660822; PMCID: PMC9976917. method SAXS · beamline 12.3.1 · staff author: Michal Hammel
  7. Prabhakar PK, Pereira JH, Taujale R, Shao W, Bharadwaj VS, Chapla D, Yang JY, Bomble YJ, Moremen KW, Kannan N, Hammel M, Adams PD, Scheller HV, Urbanowicz BR. Structural and biochemical insight into a modular -1,4-galactan synthase in plants. Nature plants. 2023 Mar;9(3):486-500. PMID: 36849618; PMCID: PMC10115243. method SAXS · beamline 12.3.1 · staff author: Michal Hammel · non-biomedical
  8. Wu K, Bai H, Chang YT, Redler R, McNally KE, Sheffler W, Brunette TJ, Hicks DR, Morgan TE, Stevens TJ, Broerman A, Goreshnik I, DeWitt M, Chow CM, Shen Y, Stewart L, Derivery E, Silva DA, Bhabha G, Ekiert DC, Baker D. De novo design of modular peptide-binding proteins by superhelical matching. Nature. 2023 Apr;616(7957):581-589. PMID: 37020023; PMCID: PMC10115654. method SAXS · beamline 12.3.1
  9. Mauriello GE, Moncure GE, Nowzari RA, Miller CJ, Wright NT. The N-terminus of obscurin is flexible in solution. Proteins. 2023 Apr;91(4):485-496. PMID: 36306263. method SAXS · beamline 12.3.1
  10. Díaz Casas A, Cordoba JJ, Ferrer BJ, Balakrishnan S, Wurm JE, Pastrana-Ríos B, Chazin WJ. Binding by calmodulin is coupled to transient unfolding of the third FF domain of Prp40A. Protein science : a publication of the Protein Society. 2023 Apr;32(4):e4606. PMID: 36810829. method SAXS · beamline 12.3.1 · non-biomedical
  11. Lutz ID, Wang S, Norn C, Courbet A, Borst AJ, Zhao YT, Dosey A, Cao L, Xu J, Leaf EM, Treichel C, Litvicov P, Li Z, Goodson AD, Rivera-Sánchez P, Bratovianu AM, Baek M, King NP, Ruohola-Baker H, Baker D. Top-down design of protein architectures with reinforcement learning. Science (New York, N.Y.). 2023 Apr 21;380(6642):266-273. PMID: 37079676. method SAXS · beamline 12.3.1
  12. Pratsinis A, Fan Y, Portmann M, Hammel M, Kou P, Sarode A, Ringler P, Kovacik L, Lauer ME, Lamerz J, Hura GL, Yen CW, Keller M. Impact of non-ionizable lipids and phase mixing methods on structural properties of lipid nanoparticle formulations. International journal of pharmaceutics. 2023 Apr 25;637:122874. PMID: 36948476. method SAXS · beamline 12.3.1 · staff author: Gregory L. Hura; Michal Hammel
  13. Gedara SH, Wood E, Gustafson A, Liang C, Hung SH, Savage J, Phan P, Luthra A, de Crécy-Lagard V, Dedon P, Swairjo MA, Iwata-Reuyl D. 7-Deazaguanines in DNA: functional and structural elucidation of a DNA modification system. Nucleic acids research. 2023 May 08;51(8):3836-3854. PMID: 36928176; PMCID: PMC10164549. method SAXS · beamline 12.3.1 · non-biomedical
  14. Motycka B, Csarman F, Tscheliessnig R, Hammel M, Ludwig R. Resolving domain positions of cellobiose dehydrogenase by small angle X-ray scattering. The FEBS journal. 2023 Jun 08. PMID: 37287434. method SAXS · beamline 12.3.1 · staff author: Michal Hammel · non-biomedical
  15. Pang Y, Huang M, Fan Y, Yeh HW, Xiong Y, Ng HL, Ai HW. Development, Characterization, and Structural Analysis of a Genetically Encoded Red Fluorescent Peroxynitrite Biosensor. ACS chemical biology. 2023 Jun 16;18(6):1388-1397. PMID: 37185019; PMCID: PMC10330634. method SAXS · beamline 12.3.1
  16. Hammel M, Fan Y, Sarode A, Byrnes AE, Zang N, Kou P, Nagapudi K, Leung D, Hoogenraad CC, Chen T, Yen CW, Hura GL. Correlating the Structure and Gene Silencing Activity of Oligonucleotide-Loaded Lipid Nanoparticles Using Small-Angle X-ray Scattering. ACS nano. 2023 Jun 27;17(12):11454-11465. PMID: 37279108; PMCID: PMC10311593. method SAXS · beamline 12.3.1 · staff author: Gregory L. Hura; Michal Hammel
  17. Longo MA, Roy S, Chen Y, Tomaszowski KH, Arvai AS, Pepper JT, Boisvert RA, Kunnimalaiyaan S, Keshvani C, Schild D, Bacolla A, Williams GJ, Tainer JA, Schlacher K. RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles. Nature communications. 2023 Jul 24;14(1):4445. PMID: 37488098; PMCID: PMC10366140. [also TOC3] Method MX; SAXS · beamline 12.3.1
  18. O’Brien Laramy MN, Costa AP, Cebrero YM, Joseph J, Sarode A, Zang N, Kim LJ, Hofmann K, Wang S, Goyon A, Koenig SG, Hammel M, Hura GL. Process Robustness in Lipid Nanoparticle Production: A Comparison of Microfluidic and Turbulent Jet Mixing. Molecular pharmaceutics. 2023 Aug 07;20(8):4285-4296. PMID: 37462906; PMCID: PMC10408331. method SAXS · beamline 12.3.1 · staff author: Gregory L. Hura; Michal Hammel
  19. Xu Q, Ma F, Yang D, Li Q, Yan L, Ou J, Zhang L, Liu Y, Zhan Q, Li R, Wei Q, Hu H, Wang Y, Li X, Zhang S, Yang J, Chai S, Du Y, Wang L, Zhang E, Zhang G. Rice-produced classical swine fever virus glycoprotein E2 with herringbone-dimer design to enhance immune responses. Plant biotechnology journal. 2023 Aug 12. PMID: 37572354. method SAXS · beamline 12.3.1
  20. McKay CE, Cheng J, Tanner JJ. Crystal structure of domain of unknown function 507 (DUF507) reveals a new protein fold. Scientific reports. 2023 Aug 18;13(1):13496. PMID: 37596303; PMCID: PMC10439177. [also TOC3] method SAXS · beamline 12.3.1 · non-biomedical
  21. Salinas ND, Ma R, Dickey TH, McAleese H, Ouahes T, Long CA, Miura K, Lambert LE, Tolia NH. A potent and durable malaria transmission-blocking vaccine designed from a single-component 60-copy Pfs230D1 nanoparticle. NPJ vaccines. 2023 Aug 18;8(1):124. PMID: 37596283; PMCID: PMC10439124. method SAXS · beamline 12.3.1
  22. Warden MS, DeRose EF, Tamayo JV, Mueller GA, Gavis ER, Hall TMT. The translational repressor Glorund uses interchangeable RNA recognition domains to recognize Drosophila nanos. Nucleic acids research. 2023 Sep 08;51(16):8836-8849. PMID: 37427795; PMCID: PMC10484662. method SAXS · beamline 12.3.1 · non-biomedical
  23. Cui G, Botuyan MV, Drané P, Hu Q, Bragantini B, Thompson JR, Schuller DJ, Detappe A, Perfetti MT, James LI, Frye SV, Chowdhury D, Mer G. An autoinhibited state of 53BP1 revealed by small molecule antagonists and protein engineering. Nature communications. 2023 Sep 29;14(1):6091. PMID: 37773238; PMCID: PMC10541411. method SAXS · beamline 12.3.1
  24. Swift ML, Zhou R, Syed A, Moreau LA, Tomasik B, Tainer JA, Konstantinopoulos PA, D’Andrea AD, He YJ, Chowdhury D. Dynamics of the DYNLL1-MRE11 complex regulate DNA end resection and recruitment of Shieldin to DSBs. Nature structural & molecular biology. 2023 Oct;30(10):1456-1467. PMID: 37696958; PMCID: PMC10524682. method SAXS · beamline 12.3.1
  25. Sweeney DT, Zárate-Pérez F, Stokowa-Sołtys K, Hackett JC. Induced Fit Describes Ligand Binding to Membrane-Associated Cytochrome P450 3A4. Molecular pharmacology. 2023 Oct;104(4):154-163. PMID: 37536953. method SAXS · beamline 12.3.1
  26. Doyle LA, Takushi B, Kibler RD, Milles LF, Orozco CT, Jones JD, Jackson SE, Stoddard BL, Bradley P. De novo design of knotted tandem repeat proteins. Nature communications. 2023 Oct 24;14(1):6746. PMID: 37875492; PMCID: PMC10598012. method SAXS · beamline 12.3.1
  27. Liu AK, Kaeser B, Chen L, West-Roberts J, Taylor-Kearney LJ, Lavy A, Günzing D, Li WJ, Hammel M, Nogales E, Banfield JF, Shih PM. Deep-branching evolutionary intermediates reveal structural origins of form I rubisco. Current biology : CB. 2023 Nov 11. PMID: 37979578; PMCID: PMC11309020. method SAXS · beamline 12.3.1 · staff author: Michal Hammel · non-biomedical
  28. Motycka B, Csarman F, Rupp M, Schnabel K, Nagy G, Karnpakdee K, Scheiblbrandner S, Tscheliessnig R, Oostenbrink C, Hammel M, Ludwig R. Amino Acid Residues Controlling Domain Interaction and Interdomain Electron Transfer in Cellobiose Dehydrogenase. Chembiochem : a European journal of chemical biology. 2023 Nov 16;24(22):e202300431. PMID: 37768852; PMCID: PMC10726044. method SAXS · beamline 12.3.1 · staff author: Michal Hammel · non-biomedical
  29. Martinez-Yamout MA, Nasir I, Shnitkind S, Ellis JP, Berlow RB, Kroon G, Deniz AA, Dyson HJ, Wright PE. Glutamine-rich regions of the disordered CREB transactivation domain mediate dynamic intra- and intermolecular interactions. Proceedings of the National Academy of Sciences of the United States of America. 2023 Nov 21;120(47):e2313835120. PMID: 37971402; PMCID: PMC10666024. method SAXS · beamline 12.3.1
  30. Mahoney BJ, Goring AK, Wang Y, Dasika P, Zhou A, Grossbard E, Cascio D, Loo JA, Clubb RT. Development and atomic structure of a new fluorescence-based sensor to probe heme transfer in bacterial pathogens. Journal of inorganic biochemistry. 2023 Dec;249:112368. PMID: 37729854. method SAXS · beamline 12.3.1
  31. Bethel NP, Borst AJ, Parmeggiani F, Bick MJ, Brunette TJ, Nguyen H, Kang A, Bera AK, Carter L, Miranda MC, Kibler RD, Lamb M, Li X, Sankaran B, Baker D. Precisely patterned nanofibres made from extendable protein multiplexes. Nature chemistry. 2023 Dec;15(12):1664-1671. PMID: 37667012; PMCID: PMC10695826. [also TOC1] method SAXS · beamline 12.3.1 staff author : Banumathi Sankaran
  32. Cordoba JJ, Mullins EA, Salay LE, Eichman BF, Chazin WJ. Flexibility and Distributive Synthesis Regulate RNA Priming and Handoff in Human DNA Polymerase -Primase. Journal of molecular biology. 2023 Dec 15;435(24):168330. PMID: 37884206; PMCID: PMC10872500; doi:10.1016/j.jmb.2023.168330. method SAXS · beamline 12.3.1
  33. Hur Y, Huynh J, Leong E, Dosanjh R, Charvat AF, Vu MH, Alam Z, Lee YT, Cabreros CC, Carroll EC, Hura GL, Wang N. The differing effects of a dual acting regulator on SIRT1. Frontiers in molecular biosciences. 2023;10:1260489. PMID: 37711385; PMCID: PMC10499324. method SAXS · beamline 12.3.1 · staff author: Gregory L. Hura
  34. Paraan M, Nasef M, Chou-Zheng L, Khweis SA, Schoeffler AJ, Hatoum-Aslan A, Stagg SM, Dunkle JA. The structure of a Type III-A CRISPR-Cas effector complex reveals conserved and idiosyncratic contacts to target RNA and crRNA among Type III-A systems. PloS one. 2023;18(6):e0287461. PMID: 37352230; PMCID: PMC10289348. method SAXS · beamline 12.3.1
  35. Chinnam NB, Syed A, Hura GL, Hammel M, Tainer JA, Tsutakawa SE. Combining small angle X-ray scattering (SAXS) with protein structure predictions to characterize conformations in solution. Methods in enzymology. 2023;678:351-376. PMID: 36641214; PMCID: PMC10132260. method SAXS · beamline 12.3.1 · staff author: Gregory L. Hura; Michal Hammel
  36. Brosey CA, Shen R, Moiani D, Jones DE, Burnett K, Hura GL, Tainer JA. Applying HT-SAXS to chemical ligand screening. Methods in enzymology. 2023;678:331-350. PMID: 36641213; PMCID: PMC11239221. method SAXS · beamline 12.3.1 · staff author: Gregory L. Hura
  37. Murray DT, Shin DS, Classen S, Brosey CA, Hura GL. Visualizing and accessing correlated SAXS data sets with Similarity Maps and Simple Scattering web resources. Methods in enzymology. 2023;678:411- 440. PMID: 36641216. method SAXS · beamline 12.3.1 · staff author: Gregory L. Hura, Scott Classen, Kathryn Burnett

TOC3 — Flexible Macromolecular Crystallography (MX) (27)

  1. Wych DC, et al. Molecular-dynamics simulation methods for macromolecular crystallography. Acta Crystallogr D Struct Biol. 2023 Jan 1. doi: 10.1107/S2059798322011871. PMID: 36601807; PMCID: PMC9815100. method MX · beamline 8.3.1
  2. Hing ZA, et al. Dysregulation of PRMT5 in chronic lymphocytic leukemia promotes progression with high risk of Richter’s transformation. Nat Commun. 2023 Jan 6. doi: 10.1038/s41467-022-35778-1. PMID: 36609611; PMCID: PMC9823097. method MX · beamline 8.3.1
  3. Gahbauer S, et al. Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc Natl Acad Sci U S A. 2023 Jan 10. doi: 10.1073/pnas.2212931120. PMID: 36598939; PMCID: PMC9926234. method MX · beamline 8.3.1
  4. Demir M, Russelburg LP, Lin WJ, et al. Structural snapshots of base excision by the cancer-associated variant MutY N146S reveal a retaining mechanism. Nucleic Acids Res. 2023 Feb 22;51(3):1034-1049. PMID: 36631987; PMCID: PMC9943663. Beamline 8.3.1 method MX · beamline 8.3.1
  5. O’Herin CB, Moriuchi YW, Bemis TA, et al. Development of Human Carbonic Anhydrase II Heterobifunctional Degraders. J Med Chem. 2023 Feb 23;66(4):2789-2803. PMID: 36735827; PMCID: PMC9969396. Beamline 8.3.1 method MX · beamline 8.3.1
  6. Zaragoza JPT, Offenbacher AR, Hu S, et al. Temporal and spatial resolution of distal protein motions that activate hydrogen tunneling in soybean lipoxygenase. Proc Natl Acad Sci U S A. 2023 Mar 7;120(10):e2211630120. PMID: 36867685; PMCID: PMC10013837. Beamline 8.3.1 method MX · beamline 8.3.1 · non-biomedical
  7. Yu T, et al. Structural Elucidation of a Polypeptoid Chain in a Crystalline Lattice Reveals Key Morphology-Directing Role of the N-Terminus. ACS Nano. 2023 Mar 14. doi: 10.1021/acsnano.2c12503. PMID: 36821346; PMCID: PMC10018772. method MX · beamline 8.3.1 · non-biomedical
  8. Kissman EN, et al. Biocatalytic control of site-selectivity and chain length-selectivity in radical amino acid halogenases. Proc Natl Acad Sci U S A. 2023 Mar 21. doi: 10.1073/pnas.2214512120. PMID: 36913566; PMCID: PMC10041140. method MX · beamline 8.3.1 · non-biomedical
  9. Russo AE, et al. The conserved AAA ATPase PCH-2 distributes its regulation of meiotic prophase events through multiple meiotic HORMADs in C. elegans. PLoS Genet. 2023 Apr 14. doi: 10.1371/journal.pgen.1010708. PMID: 37058535; PMCID: PMC10132761. method MX · beamline 8.3.1 · non-biomedical
  10. Bhowmick A, Hussein R, Bogacz I, Simon PS, Ibrahim M, Chatterjee R, et al. Structural evidence for intermediates during O(2) formation in photosystem II. Nature. 2023 May;617(7961):629-636. doi: 10.1038/s41586-023-06038-z. PubMed PMID: 37138085; PubMed Central PMCID: PMC10191843. method MX · beamline 8.3.1 · staff author: James M. Holton; Paul D. Adams · non-biomedical
  11. Zhang S, Hettige JJ, Li Y, Jian T, Yang W, Yao YC, et al. Co-Assembly of Carbon Nanotube Porins into Biomimetic Peptoid Membranes. Small. 2023 May;19(21):e2206810. doi: 10.1002/smll.202206810. PubMed PMID: 36811318. method MX · beamline 8.3.1 · non-biomedical
  12. Fricke R, Swenson CV, Roe LT, et al. Expanding the substrate scope of pyrrolysyl-transfer RNA synthetase enzymes to include non–amino acids in vitro and in vivo. Nature chemistry. 2023 Jul;15(7):960-971. PMID: 37264106; PMCID: PMC10322718. Beamline 8.3.1 method MX · beamline 8.3.1
  13. Kratochvil HT, et al. Transient water wires mediate selective proton transport in designed channel proteins. Nat Chem. 2023 Jul 1. doi: 10.1038/s41557-023-01210-4. PMID: 37308712; PMCID: PMC10475958. method MX · beamline 8.3.1
  14. Hoffnagle AM, Tezcan FA. Atomically Accurate Design of Metalloproteins with Predefined Coordination Geometries. Journal of the American Chemical Society. 2023 Jul 05;145(26):14208-14214. PMID: 37352018; PMCID: PMC10439731. Beamline 8.3.1 method MX · beamline 8.3.1
  15. Lin CC, et al. The combined action of the intracellular regions regulates FGFR2 kinase activity. Commun Biol. 2023 Jul 14. doi: 10.1038/s42003-023-05112-6. PMID: 37452126; PMCID: PMC10349056. method MX · beamline 8.3.1
  16. Fink EA, et al. Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors. Protein Sci. 2023 Aug 1. doi: 10.1002/pro.4712. PMID: 37354015; PMCID: PMC10364469. method MX · beamline 8.3.1
  17. Madani A, Krause B, Greene ER, et al. Large language models generate functional protein sequences across diverse families. Nature biotechnology. 2023 Aug;41(8):1099-1106. PMID: 36702895; PMCID: PMC10400306. Beamline 8.3.1 method MX · beamline 8.3.1
  18. Taha TY, Suryawanshi RK, Chen IP, et al. A single inactivating amino acid change in the SARS-CoV-2 NSP3 Mac1 domain attenuates viral replication in vivo. PLoS pathogens. 2023 Aug;19(8):e1011614. PMID: 37651466; PMCID: PMC10499221. Beamline 8.3.1 method MX · beamline 8.3.1
  19. Allert MJ, Kumar S, Wang Y, et al. Chromophore carbonyl twisting in fluorescent biosensors encodes direct readout of protein conformations with multicolor switching. Communications chemistry. 2023 Aug 19;6(1):168. PMID: 37598249; PMCID: PMC10439942. Beamline 8.3.1 method MX · beamline 8.3.1
  20. Chen PY, et al. Structural and functional analyses of a germline KRAS T50I mutation provide insights into Raf activation. JCI Insight. 2023 Sep 8. doi: 10.1172/jci.insight.168445. PMID: 37681415; PMCID: PMC10544224. method MX · beamline 8.3.1
  21. Han K, Zhang Z, Tezcan FA. Spatially Patterned, Porous Protein Crystals as Multifunctional Materials. Journal of the American Chemical Society. 2023 Sep 13;145(36):19932-19944. PMID: 37642457. Beamline 8.3.1 method MX · beamline 8.3.1
  22. St-Jacques AD, Rodriguez JM, Eason MG, et al. Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nature communications. 2023 Sep 28;14(1):6058. PMID: 37770431; PMCID: PMC10539519. Beamline 8.3.1 method MX · beamline 8.3.1
  23. Taylor AM, Williams BR, Giordanetto F, Kelley EH, Lescarbeau A, Shortsleeves K, et al. Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors. J Med Chem. 2023 Oct 12;66(19):13384-13399. doi: 10.1021/acs.jmedchem.3c00483. PubMed PMID: 37774359. method MX beamline 8.3.1
  24. Ogbu CP, Kapoor S, Vecchio AJ. Structural Basis of Clostridium perfringens Enterotoxin Activation and Oligomerization by Trypsin. Toxins. 2023 Oct 31;15(11). PMID: 37999500; PMCID: PMC10674488. Beamline 8.3.1 method MX · beamline 8.3.1
  25. Trinh TKH, Jian T, Jin B, Nguyen DT, Zuckermann RN, Chen CL. Designed Metal-Containing Peptoid Membranes as Enzyme Mimetics for Catalytic Organophosphate Degradation. ACS Appl Mater Interfaces. 2023 Nov 8;15(44):51191-51203. doi: 10.1021/acsami.3c11816. PubMed PMID: 37879106; PubMed Central PMCID: PMC10636725. method MX · beamline 8.3.1 · non-biomedical
  26. Frigon L, et al. Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP. Nucleic Acids Res. 2023 Dec 11. doi: 10.1093/nar/gkad1064. PMID: 37971310; PMCID: PMC10711553. method MX · beamline 8.3.1
  27. Sharma V, et al. Miconazole-like Scaffold is a Promising Lead for Naegleria fowleri-Specific CYP51 Inhibitors. J Med Chem. 2023 Dec 28. doi: 10.1021/acs.jmedchem.3c01898. PMID: 38085955; PMCID: PMC10758121. method MX · beamline 8.3.1

TOC4 — High-Throughput X-Ray Mass Spectrometry (XFMS) (2)

  1. Tyler J, Ralston CY, Rad B. Sneaking in SpyCatcher using cell penetrating peptides for in vivo imaging. Nanotechnology. 2023 Aug 2;34(42). doi: 10.1088/1361-6528/acdf65. PubMed PMID: 37336203; PubMed Central PMCID: PMC10396330. beamline 3.3.1 · staff author: Corie Y. Ralston
  2. Gupta S, Inman JL, Chant J, et al. A Novel Platform for Evaluating Dose Rate Effects on Oxidative Damage to Peptides: Toward a High-Throughput Method to Characterize the Mechanisms Underlying the FLASH Effect. Radiation research. 2023 Dec 01;200(6):523-530. PMID: 38014573 PMCID: PMC10754258 DOI: 10.1667/RADE-23-00131.1. method: XFMS · beamline 3.3.1 · staff author: Syan Gupta

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