ALS-ENABLE Publications: 2022

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

ALS-ENABLE Publications: 2022

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

TOC1 — Rapid Response Crystallography (92)

  1. Alugubelli YR, Geng ZZ, Yang KS, Shaabani N, Khatua K, Ma XR, Vatansever EC, Cho CC, Ma Y, Xiao J, et al. A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. European Journal of Medicinal Chemistry. 2022;240:114596. PMID: 35839690 PMCID: PMC9264725 DOI: 10.1016/j.ejmech.2022.114596. method MX · beamline CC · staff author: Banumathi Sankaran
  2. Atanasio A, Franklin MC, Kamat V, Hernandez AR, Badithe A, Ben LH, et al. Targeting immunodominant Bet v 1 epitopes with monoclonal antibodies prevents the birch allergic response. J Allergy Clin Immunol. 2022 Jan;149(1):200-211. doi: 10.1016/j.jaci.2021.05.038. PubMed PMID: 34126155. method MX (from the beamline, not the text) · beamline 5.0.2
  3. Kim HB, Bacik JP, Wu R, Jha RK, Hebron M, Triandafillou C, et al. Label-free affinity screening, design and synthesis of inhibitors targeting the Mycobacterium tuberculosis L-alanine dehydrogenase. PLoS One. 2022;17(11):e0277670. doi: 10.1371/journal.pone.0277670. PubMed PMID: 36395154; PubMed Central PMCID: PMC9671377. method MX · beamline 8.2.1, 5.0.2
  4. Lyons NS, et al. Kinetic and Structural Characterization of a Flavin-Dependent Putrescine N-Hydroxylase from Acinetobacter baumannii. Biochemistry. 2022;61(22):2607-2620. PMID: 36314559. [also TOC2] method MX · beamline 5.0.1
  5. Peters SC, Childers KC, Mitchell CE, Avery NG, Reese SS Jr, Mitchell C, et al. Stable binding to phosphatidylserine-containing membranes requires conserved arginine residues in tandem C domains of blood coagulation factor VIII. Front Mol Biosci. 2022;9:1040106. doi: 10.3389/fmolb.2022.1040106. PubMed PMID: 36387287; PubMed Central PMCID: PMC9643838. method MX · beamline 5.0.1
  6. Pham VV, et al. A structure-based mechanism for displacement of the HEXIM adapter from 7SK small nuclear RNA. Communications Biology. 2022;5(1):819. PMID: 35970937. PMCID: PMC9378691. [also TOC2] method MX · beamline 12.3.1
  7. Sjekloća L, Ferré-D’Amaré AR. Biochemical and structural characterization of the flavodoxin-like domain of the Schizosaccharomyces japonicus putative tRNA (Phe) 4-demethylwyosine synthase Tyw1 in complex with FMN. MicroPubl Biol. 2022;2022. doi: 10.17912/micropub.biology.000570. PubMed PMID: 35693892; PubMed Central PMCID: PMC9186531. method MX · beamline 5.0.1, 5.0.2
  8. Yin Y, Romei MG, Sankar K, Pal LR, Hoi KH, Yang Y, et al. Antibody interfaces revealed through structural mining. Comput Struct Biotechnol J. 2022;20:4952-4968. doi: 10.1016/j.csbj.2022.08.048. PubMed PMID: 36147680; PubMed Central PMCID: PMC9474289. method MX · beamline 5.0.2
  9. Nichols AL, Blumenfeld Z, Fan C, Luebbert L, Blom AEM, Cohen BN, et al. Fluorescence activation mechanism and imaging of drug permeation with new sensors for smoking-cessation ligands. Elife. 2022 Jan 4;11. doi: 10.7554/eLife.74648. PubMed PMID: 34982029; PubMed Central PMCID: PMC8820738. method MX · beamline 5.0.2
  10. Oh J, Jia T, Xu J, Chong J, Dervan PB, Wang D. RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder. Proc Natl Acad Sci U S A. 2022 Jan 18;119(3). doi: 10.1073/pnas.2114065119. PubMed PMID: 35022237; PubMed Central PMCID: PMC8784135. method MX · beamline 5.0.1, 8.2.1, 8.2.2
  11. Sahtoe DD, Praetorius F, Courbet A, Hsia Y, Wicky BIM, Edman NI, et al. Reconfigurable asymmetric protein assemblies through implicit negative design. Science. 2022 Jan 21;375(6578):eabj7662. doi: 10.1126/science.abj7662. PubMed PMID: 35050655; PubMed Central PMCID: PMC9881579. method MX · beamline 8.2.1
  12. Travis BA, Schumacher MA. Diverse molecular mechanisms of transcription regulation by the bacterial alarmone ppGpp. Mol Microbiol. 2022 Feb;117(2):252-260. doi: 10.1111/mmi.14860. PubMed PMID: 34894005; PubMed Central PMCID: PMC9304144. beamline 5.0.2
  13. Truong L, Kooshapur H, Dey SK, Li X, Tjandra N, Jaffrey SR, et al. The fluorescent aptamer Squash extensively repurposes the adenine riboswitch fold. Nat Chem Biol. 2022 Feb;18(2):191-198. doi: 10.1038/s41589-021-00931-2. PubMed PMID: 34937911; PubMed Central PMCID: PMC9812287. method MX · beamline 5.0.1
  14. Selyutina A, et al. TRIM5 Restriction of HIV-1-N7 la l l a n l l l. Viruses. 2022 Feb 10;14(2):363. PMID: 35215956. method MX · beamline 4.2.2
  15. Guercio AM, Torabi S, Cornu D, Dalmais M, Bendahmane A, Le Signor C, et al. Structural and functional analyses explain Pea KAI2 receptor diversity and reveal stereoselective catalysis during signal perception. Commun Biol. 2022 Feb 11;5(1):126. doi: 10.1038/s42003-022-03085-6. PubMed PMID: 35149763; PubMed Central PMCID: PMC8837635. method MX · beamline 8.2.1, 8.2.2 · non-biomedical
  16. Wang LT, et al. The light chain of the L9 antibody is critical for binding circumsporozoite protein minor repeats and preventing malaria. Nat Commun. 2022 Feb 15;38(7):110367. PMID: 35172158. method MX · beamline 5.0.2
  17. Reincke SM, Yuan M, Kornau HC, Corman VM, van Hoof S, Sánchez-Sendin E, et al. SARS-CoV-2 Beta variant infection elicits potent lineage-specific and cross-reactive antibodies. Science. 2022 Feb 18;375(6582):782-787. doi: 10.1126/science.abm5835. PubMed PMID: 35076281; PubMed Central PMCID: PMC8939768. method MX · beamline 5.0.1
  18. Kajita Y, Ikeda S, Yoshikawa M, Fukuda H, Watanabe E, Yano J, et al. Discovery of Novel 3-Piperidinyl Pyridine Derivatives as Highly Potent and Selective Cholesterol 24-Hydroxylase (CH24H) Inhibitors. J Med Chem. 2022 Feb 24;65(4):3343-3358. doi: 10.1021/acs.jmedchem.1c01898. PubMed PMID: 35166541. method MX · beamline 5.0.3
  19. McCallum M, et al. Structural basis of SARS-CoV-2 Omicron immune evasion and receptor engagement. Science. 2022 Feb 25;375(6583):864-868. PMID: 35076256, PMCID: PMC9427005. method MX · beamline 5.0.1
  20. Gao M, Johnson DA, Piper IM, Kodama HM, Svendsen JE, Tahti E, et al. Structural and biochemical analyses of selectivity determinants in chimeric Streptococcus Class A sortase enzymes. Protein Sci. 2022 Mar;31(3):701-715. doi: 10.1002/pro.4266. PubMed PMID: 34939250; PubMed Central PMCID: PMC8862441. method MX · beamline 5.0.1, 5.0.2
  21. Raeeszadeh-Sarmazeh M, et al. Engineering of tissue inhibitor of metalloproteinases TIMP-1 for fine discrimination between closely related stromelysins MMP-3 and MMP-10. J Biol Chem. 2022 Mar;298(3):101654. PMID: 35101440. method MX · beamline 8.2.1
  22. Wagschal K, et al. Chromohalobacter salixigens Uronate Dehydrogenase.. X-ray Crystal Structure. Process Biochem. 2022 Mar;114:185-192. PMID: 35462854. method MX · beamline 8.2.2 · non-biomedical
  23. Yekwa EL, Serrano FA, Yukl E. Conformational flexibility in the zinc solute-binding protein ZnuA. Acta Crystallogr F Struct Biol Commun. 2022 Mar 1;78(Pt 3):128-134. doi: 10.1107/S2053230X22001662. PubMed PMID: 35234138; PubMed Central PMCID: PMC8900738. method MX · beamline 5.0.1
  24. Zhang B, Munske GR, Timokhin VI, Ralph J, Davydov DR, Vermerris W, et al. Functional and structural insight into the flexibility of cytochrome P450 reductases from Sorghum bicolor and its implications for lignin composition. J Biol Chem. 2022 Apr;298(4):101761. doi: 10.1016/j.jbc.2022.101761. PubMed PMID: 35202651; PubMed Central PMCID: PMC8942828. method MX · beamline 5.0.1, 5.0.2, 5.0.3 · non-biomedical
  25. Hurlburt NK, Homad LJ, Sinha I, Jennewein MF, MacCamy AJ, Wan YH, et al. Structural definition of a pan-sarbecovirus neutralizing epitope on the spike S2 subunit. Commun Biol. 2022 Apr 11;5(1):342. doi: 10.1038/s42003-022-03262-7. PubMed PMID: 35411021; PubMed Central PMCID: PMC9001700. method MX · beamline 5.0.2
  26. Nuñez Castrejon AM, et al. Structure-Based Design and Antigenic Validation of Respiratory Syncytial Virus G Immunogens. J Virol. 2022 Apr 13;96(7):e0220121. PMID: 35266806. method MX · beamline 5.0.1
  27. Courbet A, et al. Computational design of mechanically coupled axle-rotor protein assemblies. Science. 2022 Apr 22;376(6591):383-390. PMID: 35446645, PMCID: PMC10712554. [also TOC2] method MX · beamline 8.2.2
  28. Macdonald SS, Pereira JH, Liu F, Tegl G, DeGiovanni A, Wardman JF, et al. A Synthetic Gene Library Yields a Previously Unknown Glycoside Phosphorylase That Degrades and Assembles Poly-β-1,3-GlcNAc, Completing the Suite of β-Linked GlcNAc Polysaccharides. ACS Cent Sci. 2022 Apr 27;8(4):430-440. doi: 10.1021/acscentsci.1c01570. PubMed PMID: 35505869; PubMed Central PMCID: PMC9052796. method MX · beamline 5.0.2, 8.2.2 · staff author: Paul D. Adams · non-biomedical
  29. Bauman KD, et al. Enzymatic assembly of the salinosporamide -lactam–lactone anticancer warhead. Nat Chem Biol. 2022 May;18(5):538-546. PMID: 35314816, PMCID: PMC9058210. method MX · beamline 8.2.2
  30. Davies CW, Oh AJ, Mroue R, Steffek M, Bruning JM, Xiao Y, et al. Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors. Nat Biotechnol. 2022 May;40(5):769-778. doi: 10.1038/s41587-021-01126-9. PubMed PMID: 34992247. method MX · beamline 5.0.2
  31. Gozzi K, et al. ssDNA is an allosteric regulator of the C. crescentus SOS-independent DNA damage response transcription activator, DriD. Genes Dev. 2022 May 1;36(9-10):618-633. PMID: 35618312. method MX · beamline 5.0.1
  32. Ohmer CJ, et al. XFEL serial crystallography reveals the room temperature structure of methyl-coenzyme M reductase. J Inorg Biochem. 2022 May 1. doi: 10.1016/j.jinorgbio.2022.111768. PMID: 35202981; PMCID: PMC8930625. [also TOC3] method MX · beamline 5.0.2, 8.2.1, 8.2.2 and 8.3.1 · non-biomedical
  33. Tal L, Palayam M, Ron M, Young A, Britt A, Shabek N. A conformational switch in the SCF-D3/MAX2 ubiquitin ligase facilitates strigolactone signalling. Nat Plants. 2022 May;8(5):561-573. doi: 10.1038/s41477-022-01145-7. PubMed PMID: 35484202. method MX · beamline 8.2.1, 8.2.2 · non-biomedical
  34. Hu L, et al. Novel fold of rotavirus glycan-binding domain predicted by AlphaFold2 and determined by X-ray crystallography. Commun Biol. 2022 May 5;5(1):419. PMID: 35513489. method MX · beamline 8.2.1
  35. Gray MD, Feng J, Weidle CE, Cohen KW, Ballweber-Fleming L, MacCamy AJ, et al. Characterization of a vaccine-elicited human antibody with sequence homology to VRC01-class antibodies that binds the C1C2 gp120 domain. Sci Adv. 2022 May 6;8(18):eabm3948. doi: 10.1126/sciadv.abm3948. PubMed PMID: 35507661; PubMed Central PMCID: PMC9067929. method MX · beamline 5.0.2
  36. Ahmadvand P, Avillan JJ, Lewis JA, Call DR, Kang C. Characterization of Interactions between CTX-M-15 and Clavulanic Acid, Desfuroylceftiofur, Ceftiofur, Ampicillin, and Nitrocefin. Int J Mol Sci. 2022 May 7;23(9). doi: 10.3390/ijms23095229. PubMed PMID: 35563620; PubMed Central PMCID: PMC9100253. method MX · beamline 5.0.2, 5.0.3
  37. Katti SS, Krieger IV, Ann J, Lee J, Sacchettini JC, Igumenova TI. Structural anatomy of Protein Kinase C C1 domain interactions with diacylglycerol and other agonists. Nat Commun. 2022 May 16;13(1):2695. doi: 10.1038/s41467-022-30389-2. PubMed PMID: 35577811; PubMed Central PMCID: PMC9110374. method MX · beamline 5.0.2
  38. Blankenchip CL, Nguyen JV, Lau RK, Ye Q, Gu Y, Corbett KD. Control of bacterial immune signaling by a WYL domain transcription factor. Nucleic Acids Res. 2022 May 20;50(9):5239-5250. doi: 10.1093/nar/gkac343. PubMed PMID: 35536256; PubMed Central PMCID: PMC9122588. method MX · beamline 5.0.2
  39. van Schooten J, et al. Identification and characterization of the WYL BrxR protein and its gene as separable regulatory elements of a BREX phage restriction system. Nucleic Acids Res. 2022 May 20;50(9):5171-5190. PMID: 35511079. method MX · beamline 5.0.1, 5.0.2
  40. Simmons CR, et al. The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly. Nat Commun. 2022 Jun 3;13(1):3112. PMID: 35662248, PMCID: PMC9166708. [also TOC2] method MX · beamline 5.0.2 · non-biomedical
  41. 174. Fraser A, Sokolova ML, Drobysheva AV, Gordeeva JV, Borukhov S, Jumper J, et al. Structural basis of template strand deoxyuridine promoter recognition by a viral RNA polymerase. Nat Commun. 2022 Jun 20;13(1):3526. doi: 10.1038/s41467-022-31214-6. PubMed PMID: 35725571; PubMed Central PMCID: PMC9209446. method MX · beamline 5.0.2
  42. Tortorici MA, Walls AC, Joshi A, Park YJ, Eguia RT, Miranda MC, et al. Structure, receptor recognition, and antigenicity of the human coronavirus CCoV-HuPn-2018 spike glycoprotein. Cell. 2022 Jun 23;185(13):2279-2291.e17. doi: 10.1016/j.cell.2022.05.019. PubMed PMID: 35700730; PubMed Central PMCID: PMC9135795. method MX · beamline 5.0.2
  43. Samuels ER, Sevrioukova IF. Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci. 2022 Jun 30;23(13). doi: 10.3390/ijms23137291. PubMed PMID: 35806297; PubMed Central PMCID: PMC9266530. method MX · beamline 8.2.1, 8.2.2
  44. Travis BA, et al. Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria. Nat Commun. 2022 Jul 1;13(1):3793. PMID: 35778410, PMCID: PMC9249791. method MX · beamline 5.0.1
  45. Venkadesh Sarkarai Nadar, et al. The ArsI C-As lyase: Elucidating the catalytic mechanism of degradation of organoarsenicals. J Inorg Biochem. 2022 Jul;232:111836. PMID: 35487149. method MX · beamline 5.0.2
  46. Huang Z, et al. The intrinsically disordered protein TgIST from Toxoplasma gondii inhibits STAT1 signaling by blocking cofactor recruitment. Nat Commun. 2022 Jul 13;13(1):4047. PMID: 35831295, PMCID: PMC9279507. method MX · beamline 4.2.2
  47. Rahighi S, Iyer M, Oveisi H, Nasser S, Duong V. Structural basis for the simultaneous recognition of NEMO and acceptor ubiquitin by the HOIP NZF1 domain. Sci Rep. 2022 Jul 18;12(1):12241. doi: 10.1038/s41598-022-16193-4. PubMed PMID: 35851409; PubMed Central PMCID: PMC9294000. method MX · beamline 5.0.2
  48. Hicks DR, et al. De novo design of protein homodimers containing tunable symmetric protein pockets. Proc Natl Acad Sci U S A. 2022 Jul 26;119(30):e2113400119. PMID: 35862457, PMCID: PMC9335249. method MX · beamline 8.2.2
  49. Zhu K, Li C, Wu KY, Mohr C, Li X, Lanman B. Modeling receptor flexibility in the structure-based design of KRAS(G12C) inhibitors. J Comput Aided Mol Des. 2022 Aug;36(8):591-604. doi: 10.1007/s10822-022-00467-0. PubMed PMID: 35930206; PubMed Central PMCID: PMC9512760. method MX · beamline 5.0.2
  50. van Schooten J, Farokhi E, Schorcht A, van den Kerkhof TLGM, Gao H, van der Woude P, et al. Identification of IOMA-class neutralizing antibodies targeting the CD4-binding site on the HIV-1 envelope glycoprotein. Nat Commun. 2022 Aug 3;13(1):4515. doi: 10.1038/s41467-022-32208-0. PubMed PMID: 35922441; PubMed Central PMCID: PMC9349188. method MX · beamline 5.0.1
  51. Sharma R, Kim JJ, Qin L, Henning P, Akimoto M, VanSchouwen B, et al. An auto-inhibited state of protein kinase G and implications for selective activation. Elife. 2022 Aug 5;11. doi: 10.7554/eLife.79530. PubMed PMID: 35929723; PubMed Central PMCID: PMC9417419. method MX; SAXS · beamline 12.3.1, 5.0.1 · staff author: Banumathi Sankaran
  52. Low JS, Jerak J, Tortorici MA, McCallum M, Pinto D, Cassotta A, et al. ACE2-binding exposes the SARS-CoV-2 fusion peptide to broadly neutralizing coronavirus antibodies. Science. 2022 Aug 12;377(6607):735-742. doi: 10.1126/science.abq2679. PubMed PMID: 35857703; PubMed Central PMCID: PMC9348755. method MX · beamline 5.0.1
  53. Ogbonna EN, Paul A, Ross Terrell J, Fang Z, Chen C, Poon GMK, et al. Drug design and DNA structural research inspired by the Neidle laboratory: DNA minor groove binding and transcription factor inhibition by thiophene diamidines. Bioorg Med Chem. 2022 Aug 15;68:116861. doi: 10.1016/j.bmc.2022.116861. PubMed PMID: 35661929; PubMed Central PMCID: PMC9707304. method MX · beamline 5.0.1
  54. Gorelik A, et al. Structures of the mannose-6-phosphate pathway enzyme, GlcNAc-1-phosphotransferase. Proc Natl Acad Sci U S A. 2022 Aug 16;119(33):e2203518119. PMID: 35939698, PMCID: PMC9388126. method MX · beamline 5.0.1
  55. Ngo VA, Queralt-Martín M, Khan F, Bergdoll L, Abramson J, Bezrukov SM, et al. The Single Residue K12 Governs the Exceptional Voltage Sensitivity of Mitochondrial Voltage-Dependent Anion Channel Gating. J Am Chem Soc. 2022 Aug 17;144(32):14564-14577. doi: 10.1021/jacs.2c03316. PubMed PMID: 35925797; PubMed Central PMCID: PMC12293989. method MX · beamline 5.0.2
  56. Chen A, Mindrebo JT, Davis TD, Kim WE, Katsuyama Y, Jiang Z, et al. Mechanism-based cross-linking probes capture the Escherichia coli ketosynthase FabB in conformationally distinct catalytic states. Acta Crystallogr D Struct Biol. 2022 Sep 1;78(Pt 9):1171-1179. doi: 10.1107/S2059798322007434. PubMed PMID: 36048156; PubMed Central PMCID: PMC9435599. method MX · beamline 8.2.1
  57. d’Oelsnitz S, Kim W, Burkholder NT, Javanmardi K, Thyer R, Zhang Y, et al. Using fungible biosensors to evolve improved alkaloid biosyntheses. Nat Chem Biol. 2022 Sep;18(9):981-989. doi: 10.1038/s41589-022-01072-w. PubMed PMID: 35799063; PubMed Central PMCID: PMC11494455. method MX · beamline 5.0.1
  58. Sun F, Palayam M, Shabek N. Structure of maize BZR1-type β-amylase BAM8 provides new insights into its noncatalytic adaptation. J Struct Biol. 2022 Sep;214(3):107885. doi: 10.1016/j.jsb.2022.107885. PubMed PMID: 35961473. beamline 8.2.1, 8.2.2 · non-biomedical
  59. Vasu D, Li H, Hardy CD, Poulos TL, Silverman RB. 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg Med Chem. 2022 Sep 1;69:116878. doi: 10.1016/j.bmc.2022.116878. PubMed PMID: 35772285; PubMed Central PMCID: PMC9574886. method MX · beamline 5.0.2
  60. Lee J, et al. X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation. Nat Commun. 2022 Sep 3;13(1):5196. PMID: 36057636. method MX · beamline 5.0.1, 5.0.2
  61. Hattori Y, Matsumoto S, Morimoto S, Daini M, Toyofuku M, Matsuda S, et al. Design, synthesis, and structure-activity relationship of TAK-418 and its derivatives as a novel series of LSD1 inhibitors with lowered risk of hematological side effects. Eur J Med Chem. 2022 Sep 5;239:114522. doi: 10.1016/j.ejmech.2022.114522. PubMed PMID: 35749987. method MX · beamline 5.0.3, 8.2.1
  62. Zhang Z, Morstein J, Ecker AK, Guiley KZ, Shokat KM. Chemoselective Covalent Modification of K-Ras(G12R) with a Small Molecule Electrophile. J Am Chem Soc. 2022 Sep 7;144(35):15916-15921. doi: 10.1021/jacs.2c05377. PubMed PMID: 36001446; PubMed Central PMCID: PMC9460778. method MX · beamline 8.2.1
  63. Hu DX, Patel S, Chen H, Wang S, Staben ST, Dimitrova YN, et al. Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors. J Med Chem. 2022 Sep 8;65(17):11500-11512. doi: 10.1021/acs.jmedchem.1c01180. PubMed PMID: 34779204. method MX · beamline 5.0.1
  64. Spiegelman L, et al. Strengthening of enterococcal biofilms by Esp. PLoS Pathog. 2022 Sep 14. doi: 10.1371/journal.ppat.1010829. PMID: 36103556; PMCID: PMC9512215. [also TOC2] method MX · beamline 12.3.1
  65. Wassarman DR, Bankapalli K, Pallanck LJ, Shokat KM. Tissue-restricted inhibition of mTOR using chemical genetics. Proc Natl Acad Sci U S A. 2022 Sep 20;119(38):e2204083119. doi: 10.1073/pnas.2204083119. PubMed PMID: 36095197; PubMed Central PMCID: PMC9499525. method MX beamline 8.2.2
  66. Hajjar M, Chim N, Liu C, Herdewijn P, Chaput JC. Crystallographic analysis of engineered polymerases synthesizing phosphonomethylthreosyl nucleic acid. Nucleic Acids Res. 2022 Sep 23;50(17):9663-9674. doi: 10.1093/nar/gkac792. PubMed PMID: 36124684; PubMed Central PMCID: PMC9508818. method MX · beamline 5.0.1, 8.2.1
  67. Johnson DA, Piper IM, Vogel BA, Jackson SN, Svendsen JE, Kodama HM, et al. Structures of Streptococcus pyogenes class A sortase in complex with substrate and product mimics provide key details of target recognition. J Biol Chem. 2022 Oct;298(10):102446. doi: 10.1016/j.jbc.2022.102446. PubMed PMID: 36055407; PubMed Central PMCID: PMC9520033. method MX · beamline 5.0.1, 5.0.2
  68. Schumacher MA, Wörmann ME, Henderson M, Salinas R, Latoscha A, Al-Bassam MM, et al. Allosteric regulation of glycogen breakdown by the second messenger cyclic di-GMP. Nat Commun. 2022 Oct 3;13(1):5834. doi: 10.1038/s41467-022-33537-w. PubMed PMID: 36192422; PubMed Central PMCID: PMC9530166. method MX · beamline 5.0.1, 5.0.2
  69. Choi TS, Tezcan FA. Design of a Flexible, Zn-Selective Protein Scaffold that Displays Anti-Irving-Williams Behavior. J Am Chem Soc. 2022 Oct 5;144(39):18090-18100. doi: 10.1021/jacs.2c08050. PubMed PMID: 36154053; PubMed Central PMCID: PMC9949983. [also TOC3] method MX · beamline 5.0.2, 8.3.1
  70. Yuying Ma, et al. A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur J Med Chem. 2022 Oct 5;240:114570. PMID: 35779291 [. method MX · beamline 5.0.2
  71. Dauparas J, et al. Robust deep learning-based protein sequence design using ProteinMPNN. Science. 2022 Oct 7;378(6591):49-56. PMID: 36108050, PMCID: PMC9997061. method MX · beamline 8.2.2
  72. Dai SA, Hu Q, Gao R, Blythe EE, Touhara KK, Peacock H, et al. State-selective modulation of heterotrimeric Gαs signaling with macrocyclic peptides. Cell. 2022 Oct 13;185(21):3950-3965.e25. doi: 10.1016/j.cell.2022.09.019. PubMed PMID: 36170854; PubMed Central PMCID: PMC9747239. method MX · beamline 8.2.1
  73. Hashimoto H, Ramirez DH, Lautier O, Pawlak N, Blobel G, Palancade B, et al. Structure of the pre-mRNA leakage 39-kDa protein reveals a single domain of integrated zf-C3HC and Rsm1 modules. Sci Rep. 2022 Oct 21;12(1):17691. doi: 10.1038/s41598-022-22183-3. PubMed PMID: 36271106; PubMed Central PMCID: PMC9586977. method MX · beamline 8.2.2
  74. Hill JH, Massaquoi MS, Sweeney EG, Wall ES, Jahl P, Bell R, et al. BefA, a microbiota-secreted membrane disrupter, disseminates to the pancreas and increases β cell mass. Cell Metab. 2022 Nov 1;34(11):1779-1791.e9. doi: 10.1016/j.cmet.2022.09.001. PubMed PMID: 36240759; PubMed Central PMCID: PMC9633563. method MX · beamline 5.0.2
  75. Irwin S, Karr C, Furman C, Tsai J, Gee P, Banka D, et al. Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPARγ by inverse agonists. J Biol Chem. 2022 Nov;298(11):102539. doi: 10.1016/j.jbc.2022.102539. PubMed PMID: 36179791; PubMed Central PMCID: PMC9626935. method MX · beamline 5.0.2
  76. Zhang Z, Guiley KZ, Shokat KM. Chemical acylation of an acquired serine suppresses oncogenic signaling of K-Ras(G12S). Nat Chem Biol. 2022 Nov;18(11):1177-1183. doi: 10.1038/s41589-022-01065-9. PubMed PMID: 35864332; PubMed Central PMCID: PMC9596369. method MX · beamline 8.2.1, 8.2.2
  77. Zhang B, Lewis JA, Hazra R, Kang C. X-ray Crystallography: Seeding Technique with Cytochrome P450 Reductase. Bio Protoc. 2022 Nov 5;12(21). doi: 10.21769/BioProtoc.4546. PubMed PMID: 36505025; PubMed Central PMCID: PMC9711942. method MX · beamline 5.0.2, 5.0.3 · non-biomedical
  78. Lu S, Hu L, Lin H, Judge A, Rivera P, Palaniappan M, et al. An active site loop toggles between conformations to control antibiotic hydrolysis and inhibition potency for CTX-M β-lactamase drug-resistance enzymes. Nat Commun. 2022 Nov 7;13(1):6726. doi: 10.1038/s41467-022-34564-3. PubMed PMID: 36344533; PubMed Central PMCID: PMC9640584. method MX · beamline 8.2.1 · staff author: Banumathi Sankaran
  79. Singh V, Grzegorzewicz AE, Fienberg S, Müller R, Khonde LP, Sanz O, et al. 1,3-Diarylpyrazolyl-acylsulfonamides Target HadAB/BC Complex in Mycobacterium tuberculosis. ACS Infect Dis. 2022 Nov 11;8(11):2315-2326. doi: 10.1021/acsinfecdis.2c00392. PubMed PMID: 36325756; PubMed Central PMCID: PMC9673142. method MX · beamline 5.0.2
  80. [Bratkowski M, et a]{.mark}l. Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease. Neuron. 2022 Nov 16;110(22):3711-3726. PMID: 36087583. [also TOC3] method MX · beamline 5.0.1
  81. Lau RK, Enustun E, Gu Y, Nguyen JV, Corbett KD. A conserved signaling pathway activates bacterial CBASS immune signaling in response to DNA damage. EMBO J. 2022 Nov 17;41(22):e111540. doi: 10.15252/embj.2022111540. PubMed PMID: 36156805; PubMed Central PMCID: PMC9670203. method MX · beamline 5.0.2
  82. Kim HJ, Black M, Edwards RA, Peillard-Fiorente F, Panigrahi R, Klingler D, et al. Structural basis for recognition of transcriptional terminator structures by ProQ/FinO domain RNA chaperones. Nat Commun. 2022 Nov 18;13(1):7076. doi: 10.1038/s41467-022-34875-5. PubMed PMID: 36400772; PubMed Central PMCID: PMC9674577. method MX · beamline 8.2.2
  83. Menichelli E, Lam BJ, Wang Y, Wang VS, Shaffer J, Tjhung KF, et al. Discovery of small molecules that target a tertiary-structured RNA. Proc Natl Acad Sci U S A. 2022 Nov 29;119(48):e2213117119. doi: 10.1073/pnas.2213117119. PubMed PMID: 36413497; PubMed Central PMCID: PMC9860313. method MX beamline 5.0.3
  84. Delgado-Cunningham K, López T, Khatib F, Arias CF, DuBois RM. Structure of the divergent human astrovirus MLB capsid spike. Structure. 2022 Dec 1;30(12):1573-1581.e3. doi: 10.1016/j.str.2022.10.010. PubMed PMID: 36417907; PubMed Central PMCID: PMC9722636. method MX · beamline 5.0.2
  85. Gupta S, et al. A Hybrid Structural Method for Investigating Low Molecular Weight Oligomeric Structures of Amyloid Beta. Chembiochem. 2022 Dec 5;23(23):e202200333. PMID: 35980391. method MX · beamline 8.2.1, 8.2.2
  86. Yang H, Kim K, Li S, Pacheco J, Chen XS. Structural basis of sequence-specific RNA recognition by the antiviral factor APOBEC3G. Nat Commun. 2022 Dec 5;13(1):7498. doi: 10.1038/s41467-022-35201-9. PubMed PMID: 36470880; PubMed Central PMCID: PMC9722718. method MX · beamline 5.0.1, 5.0.3
  87. Kazan IC, Sharma P, Rahman MI, Bobkov A, Fromme R, Ghirlanda G, et al. Design of novel cyanovirin-N variants by modulation of binding dynamics through distal mutations. Elife. 2022 Dec 6;11. doi: 10.7554/eLife.67474. PubMed PMID: 36472898; PubMed Central PMCID: PMC9725752. method MX · beamline 8.2.1
  88. Chavarria-Smith J, Chiu CPC, Jackman JK, Yin J, Zhang J, Hackney JA, et al. Dual antibody inhibition of KLK5 and KLK7 for Netherton syndrome and atopic dermatitis. Sci Transl Med. 2022 Dec 14;14(675):eabp9159. doi: 10.1126/scitranslmed.abp9159. PubMed PMID: 36516271. method MX · beamline 5.0.1
  89. Gottfried-Lee I, Perona JJ, Karplus PA, Mehl RA, Cooley RB. Structures of Methanomethylophilus alvus Pyrrolysine tRNA-Synthetases Support the Need for De Novo Selections When Altering the Substrate Specificity. ACS Chem Biol. 2022 Dec 16;17(12):3470-3477. doi: 10.1021/acschembio.2c00640. PubMed PMID: 36395426; PubMed Central PMCID: PMC9833844. method MX · beamline 5.0.3
  90. Hanan EJ, Braun MG, Heald RA, MacLeod C, Chan C, Clausen S, et al. Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3Kα. J Med Chem. 2022 Dec 22;65(24):16589-16621. doi: 10.1021/acs.jmedchem.2c01422. PubMed PMID: 36455032. method MX · beamline 5.0.2
  91. Li K, Tokareva OS, Thomson TM, Wahl SCT, Travaline TL, Ramirez JD, et al. De novo mapping of α-helix recognition sites on protein surfaces using unbiased libraries. Proc Natl Acad Sci U S A. 2022 Dec 27;119(52):e2210435119. doi: 10.1073/pnas.2210435119. PubMed PMID: 36534810; PubMed Central PMCID: PMC9907135. method MX · beamline 5.0.1
  92. Valencia DW, Meléndez AB, Melendrez IA, Yukl ET. Structure and Function of the Zinc Binding Protein ZrgA from Vibrio cholerae. Int J Mol Sci. 2022 Dec 29;24(1). doi: 10.3390/ijms24010548. PubMed PMID: 36613986; PubMed Central PMCID: PMC9820375. method MX · beamline 5.0.2

TOC2 — High Quality and High Throughput SAXS (36)

  1. Schriber EA, et al. Chemical crystallography by serial femtosecond X-ray diffraction. Nature. 2022 Jan;601(7893):360-365. PMID: 35046599, PMCID: PMC8770144 [PMID unconfirmed, please verify] method SAXS · beamline 12.3.1 · non-biomedical
  2. Jessica Krakow, Michal Hammel, Ying Zhu, Brian J Hillier, Bryce Paolella, Austin Desmarais, Rusty Wall, Tseng-Hui T Chen, Rex Pei, Chulani Karunatilake, Robert DuBridge, Maia Vinogradova. Structural arrangement of the VH and VL domains in the COBRA™ T-cell engaging single-chain diabody. Antibody therapeutics 2022 Jan ;5(1):1-10. PMID: 35005430 PMCID: PMC8719580. method SAXS · beamline 12.3.1 · staff author: Michal Hammel
  3. Shion A Lim, Jie Zhou, Alexander J Martinko, Yung-Hua Wang, Ekaterina V Filippova, Veronica Steri, Donghui Wang, Soumya G Remesh, Jia Liu, Byron Hann, Anthony A Kossiakoff, Michael J Evans, Kevin K Leung, James A Wells. Targeting a proteolytic neoepitope on CUB domain containing protein 1 (CDCP1) for RAS-driven cancers. J Clin Invest. 2022 Feb 15;132(4):e154604. doi: 10.1172/JCI154604. PMID: 35166238 PMCID: PMC8843743. method MX; SAXS · beamline 12.3.1
  4. Bogner AN, Ji J, Tanner JJ. Structure-based engineering of minimal proline dehydrogenase domains for inhibitor discovery. Protein Eng Des Sel. 2022 Feb 17;35. doi: 10.1093/protein/gzac016. PubMed PMID: 36448708; PubMed Central PMCID: PMC9801229. method MX; SAXS · beamline 12.3.1
  5. Steven Siang, Eric S Underbakke, Julien Roche. Intricate coupling between the transactivation and basic-leucine zipper domains governs phosphorylation of transcription factor ATF4 by casein kinase 2. J Biol Chem. 2022 Mar;298(3):101633. doi: 10.1016/j.jbc.2022.101633.PMID: 35077711 PMCID: PMC8881488. method MX; SAXS · beamline 12.3.1
  6. Nielsen JE, et al. Self-Assembly of Antimicrobial Peptoids Impacts Their Biological Effects on ESKAPE Bacterial Pathogens. ACS Infect Dis. 2022 Mar 11;8(3):533-545. PMID: 35175731; PMCID: PMC8962514 method SAXS · beamline 12.3.1
  7. Sestok AE, et al. A fusion of the Bacteroides fragilis ferrous iron import proteins reveals a role for FeoA in stabilizing GTP-bound FeoB. J Biol Chem. 2022 Apr;298(4):101808. PMID: 35271852; PMCID: PMC8980893 method SAXS · beamline 12.3.1
  8. Yachnin BJ, et al. Massively parallel, computationally guided design of a proenzyme. Proc Natl Acad Sci U S A. 2022 Apr 12;119(15):e2116097119. PMID: 35377786, PMCID: PMC9169645 method SAXS · beamline 12.3.1
  9. Du J, Babik S, Li Y, Deol KK, Eyles SJ, Fejzo J, et al. A cryptic K48 ubiquitin chain binding site on UCH37 is required for its role in proteasomal degradation. Elife. 2022 Apr 22;11. doi: 10.7554/eLife.76100. PubMed PMID: 35451368; PubMed Central PMCID: PMC9033301. method SAXS · beamline 12.3.1
  10. Liu Y, Liu CZ, Wang ZK, Zhou W, Wang H, Zhang YC, et al. Supramolecular organic frameworks improve the safety of clinically used porphyrin photodynamic agents and maintain their antitumor efficacy. Biomaterials. 2022 May;284:121467. doi: 10.1016/j.biomaterials.2022.121467. PubMed PMID: 35338941. method SAXS · beamline 12.3.1
  11. Ravenburg CM, et al. The BAM7 gene in Zea mays encodes a protein with similar structural and catalytic properties to Arabidopsis BAM2. Acta Crystallogr D Struct Biol. 2022 May 1;78(Pt 5):560-570. PMID: 35503205 method SAXS · beamline 12.3.1 · non-biomedical
  12. Sarode A, Fan Y, Byrnes AE, Hammel M, Hura GL, Fu Y, et al. Predictive high-throughput screening of PEGylated lipids in oligonucleotide-loaded lipid nanoparticles for neuronal gene silencing. Nanoscale Adv. 2022 May 3;4(9):2107-2123. doi: 10.1039/d1na00712b. PubMed PMID: 36133441; PubMed Central PMCID: PMC9417559. method SAXS · beamline 12.3.1 · staff author: Gregory L. Hura; Michal Hammel
  13. Lin F, Yu SB, Liu YY, Liu CZ, Lu S, Cao J, Qi QY, Zhou W, Li X, Liu Y, Tian J, Li ZT. “Porous Polymers as Universal Reversal Agents for Heparin Anticoagulants through an Inclusion-Sequestration Mechanism.” Advanced materials (Deerfield Beach, Fla.) 2022 Jun ;34(23):e2200549. PMID: 35499202. method SAXS · beamline 12.3.1
  14. Liau NPD, Johnson MC, Izadi S, Gerosa L, Hammel M, Bruning JM, Wendorff TJ, Phung W, Hymowitz SG, Sudhamsu J. “Structural basis for SHOC2 modulation of RAS signalling.” Nature 2022 Jun 29. PMID: 35768504 PMCID: PMC9452301. method SAXS · beamline 12.3.1 · staff author: Michal Hammel
  15. Mahoney BJ, et al. The structure of the Clostridium thermocellum RsgI9 ectodomain provides insight into the mechanism of biomass sensing. Proteins. 2022 Jul;90(7):1457-1467. PMID: 35194841; PMCID: PMC9177573 method SAXS · beamline 12.3.1 · non-biomedical
  16. McGinnis RJ, Brambley CA, Stamey B, Green WC, Gragg KN, Cafferty ER, Terwilliger TC, Hammel M, Hollis TJ, Miller JM, Gainey MD, Wallen JR. “A monomeric mycobacteriophage immunity repressor utilizes two domains to recognize an asymmetric DNA sequence.” Nature communications 2022 Jul 14 ;13(1):4105. PMID: 35835745 PMCID: PMC9283540. [also TOC3] method MX; SAXS · beamline 12.3.1 · staff author: Michal Hammel · non-biomedical
  17. Cantara WA, et al. Phosphomimetic S207D Lysyl-tRNA Synthetase Binds HIV-1 5’UTR in an Open Conformation and Increases RNA Dynamics. Viruses. 2022 Jul 16;14(7):1556. PMID: 35891536; PMCID: PMC9315659 method SAXS · beamline 12.3.1
  18. Clanor PB, et al. Structural and functional analysis of the human cone-rod homeobox transcription factor. Proteins. 2022 Aug;90(8):1584-1593. PMID: 35255174; PMCID: PMC9271546 method SAXS · beamline 12.3.1
  19. Anitas EM. “α-SAS: an integrative approach for structural modeling of biological macromolecules in solution.” Acta Crystallogr D Struct Biol. 2022 Aug 1;78(Pt 8):1046-1063. doi: 10.1107/S2059798322006349. PMID: 35916228. method SAXS · beamline 12.3.1
  20. Kim M, et al. Two interaction surfaces between XPA and RPA organize the preincision complex in nucleotide excision repair. Proc Natl Acad Sci U S A. 2022 Aug 23;119(34):e2207408119. PMID: 35969784; PMCID: PMC9407234 method SAXS · beamline 12.3.1
  21. Liu AK, et al. Structural plasticity enables evolution and innovation of RuBisCO assemblies. Sci Adv. 2022 Aug 26;8(34):eadc9440. PMID: 36026446, PMCID: PMC9417184 method SAXS · beamline 12.3.1 · non-biomedical
  22. Baughman HER, et al. An intrinsically disordered transcription activation domain increases the DNA binding affinity and reduces the specificity of NFB p50/RelA. J Biol Chem. 2022 Sep;298(9):102349. PMID: 35934050; PMCID: PMC9440430 method SAXS · beamline 12.3.1
  23. Lin JS, et al. Anti-persister and Anti-biofilm Activity of Self-Assembled Antimicrobial Peptoid Ellipsoidal Micelles. ACS Infect Dis. 2022 Sep 9;8(9):1823-1830. PMID: 36018039, PMCID: PMC9469094 method SAXS · beamline 12.3.1
  24. Trewhella J, Vachette P, Bierma J, Blanchet C, Brookes E, Chakravarthy S, Chatzimagas L, Cleveland TE, Cowieson N, Crossett B, Duff AP, Franke D, Gabel F, Gillilan RE, Graewert M, Grishaev A, Guss JM, Hammel M, Hopkins J, Huang Q, Hub JS, Hura GL, Irving TC, Jeffries CM, Jeong C, Kirby N, Krueger S, Martel A, Matsui T, Li N, Pérez J, Porcar L, Prangé T, Rajkovic I, Rocco M, Rosenberg DJ, Ryan TM, Seifert S, Sekiguchi H, Svergun D, Teixeira S, Thureau A, Weiss TM, Whitten AE, Wood K, Zuo X. “A round-robin approach provides a detailed assessment of biomolecular small-angle scattering data reproducibility and yields consensus curves for benchmarking.” Acta crystallographica. Section D, Structural biology 2022 Nov 01 ;78(Pt 11):1315-1336. PMID: 36322416 PMCID: PMC9629491. method MX; SAXS · beamline 12.3.1 · staff author: Gregory L. Hura; Michal Hammel
  25. Verna Van, Nna-Emeka Ejimogu, Toan S Bui, Aaron T Smith. The Structure of Saccharomyces cerevisiae Arginyltransferase 1 (ATE1). J Mol Biol. 2022 Nov 15;434(21):167816. doi: 10.1016/j.jmb.2022.167816. PMID: 36087779 PMCID: PMC9992452 method SAXS · beamline 12.3.1 · non-biomedical
  26. Bermeo S, Favor A, Chang YT, Norris A, Boyken SE, Hsia Y, Haddox HK, Xu C, Brunette TJ, Wysocki VH, Bhabha G, Ekiert DC, Baker D. “De novo design of obligate ABC-type heterotrimeric proteins.” Nature structural & molecular biology 2022 Dec ;29(12):1266-1276. PMID: 36522429; PMCID: PMC9758053. method SAXS · beamline 12.3.1
  27. De Silva NIU, Fargason T, Zhang Z, Wang T, Zhang J. Inter-domain Flexibility of Human Ser/Arg-Rich Splicing Factor 1 Allows Variable Spacer Length in Cognate RNA’s Bipartite Motifs. Biochemistry. 2022 Dec 20;61(24):2922-2932. doi: 10.1021/acs.biochem.2c00565. PubMed PMID: 36454680. method SAXS · beamline 12.3.1
  28. Canny MD, et al. LRET-derived HADDOCK structural models describe the conformational heterogeneity required for DNA cleavage by the Mre11-Rad50 DNA damage repair complex. eLife. 2022;11:e69579. PMID: 35084331, PMCID: PMC8824468 method SAXS · beamline 12.3.1
  29. Childers KC, et al. SAXS analysis of the intrinsic tenase complex bound to a lipid nanodisc highlights intermolecular contacts between factors VIIIa/IXa. Blood Advances. 2022;6(11):3240-3254. PMID: 35255502. method MX; SAXS · beamline 12.3.1
  30. Ehm T, et al. 3D-printed SAXS chamber for controlled in situ dialysis and optical characterization. Journal of Synchrotron Radiation. 2022;29(4):1014-1019. PMID: 35787568; PMCID: PMC9255564. method MX; SAXS · beamline 12.3.1
  31. Hawkins WD, Leary KA, Andhare D, Popelka H, Klionsky DJ, Ragusa MJ. “Dimerization-dependent membrane tethering by Atg23 is essential for yeast autophagy.” Cell reports 2022 04 19 ;39(3):110702. PMID: 35443167 PMCID: PMC9097366. method MX; SAXS · beamline 12.3.1 · non-biomedical
  32. Chinnam NB, Syed A, Burnett KH, Hura GL, Tainer JA, Tsutakawa SE. “Universally Accessible Structural Data on Macromolecular Conformation, Assembly, and Dynamics by Small Angle X-Ray Scattering for DNA Repair Insights.” Methods in molecular biology (Clifton, N.J.) 2022 ;2444:43-68. PMID: 35290631 PMCID: PMC9020468. method SAXS · beamline 12.3.1 · staff author: Greg Hura; Kathryn Burnett; John Tainer
  33. Norton-Baker B, Mehrabi P, Kwok AO, Roskamp KW, Rocha MA, Sprague-Piercy MA, von Stetten D, Miller RJD, Martin RW. “Deamidation of the human eye lens protein γS-crystallin accelerates oxidative aging.” Structure (London, England : 1993) 2022 05 05 ;30(5):763-776.e4. PMID: 35338852 PMCID: PMC9081212. ( method SAXS · beamline 12.3.1)
  34. Sweeney DT, Krueger S, Sen K, Hackett JC. “Structures and Dynamics of Anionic Lipoprotein Nanodiscs.” The journal of physical chemistry. B 2022 04 21 ;126(15):2850-2862. PMID: 35393859 PMCID: PMC10061508. method SAXS · beamline 12.3.1
  35. Rosenberg DJ, et al. Size exclusion chromatography coupled small angle X-ray scattering with tandem multiangle light scattering at the SIBYLS beamline. Methods in Enzymology. 2022;677:191-219. PMID: 36410949. method SAXS · beamline 12.3.1
  36. Rosenberg DJ, et al. Monitoring Nuclease Activity by X-Ray Scattering Interferometry Using Gold Nanoparticle-Conjugated DNA. Methods Mol Biol. 2022;2444:183-205. PMID: 35290639; PMCID: PMC9512051 method SAXS · beamline 12.3.1

TOC3 — Flexible Macromolecular Crystallography (MX) (30)

  1. Legault S, et al. Generation of bright monomeric red fluorescent proteins via computational design of enhanced chromophore packing. Chem Sci. 2022 Jan 11. doi: 10.1039/d1sc05088e. PMID: 35222925; PMCID: PMC8809391. method MX · beamline 8.3.1
  2. Ricemeyer L, et al. Structures of Two Human Astrovirus Capsid/Neutralizing Antibody Complexes Reveal Distinct Epitopes and Inhibition of Virus Attachment to Cells. J Virol. 2022 Jan 12. doi: 10.1128/JVI.01415-21. PMID: 34613806; PMCID: PMC8754201. method MX · beamline 8.3.1
  3. Anderson BW, et al. The nucleotide messenger (p)ppGpp is an anti-inducer of the purine synthesis transcription regulator PurR in Bacillus. Nucleic Acids Res. 2022 Jan 25. doi: 10.1093/nar/gkab1281. PMID: 34967415; PMCID: PMC8789054. method MX · beamline 8.3.1 · non-biomedical
  4. Li Z, Tran DK, Nguyen M, Jian T, Yan F, Jenekhe SA, et al. Amphiphilic Peptoid-Directed Assembly of Oligoanilines into Highly Crystalline Conducting Nanotubes. Macromol Rapid Commun. 2022 Feb;43(4):e2100639. doi: 10.1002/marc.202100639. PubMed PMID: 35038198. method MX · beamline 8.3.1 · non-biomedical
  5. Neugebauer ME, et al. Reaction pathway engineering converts a radical hydroxylase into a halogenase. Nat Chem Biol. 2022 Feb;18(2):171-179. PMID: 34937913 method MX · beamline 8.3.1 · non-biomedical
  6. Campbell MR, et al. Targetable HER3 functions driving tumorigenic signaling in HER2-amplified cancers. Cell Rep. 2022 Feb 1. doi: 10.1016/j.celrep.2021.110291. PMID: 35108525; PMCID: PMC8889928. method MX · beamline 8.3.1
  7. Kakkis A, et al. Overcoming universal restrictions on metal selectivity by protein design. Nature. 2022 Mar;603(7901):522-527. PMID: 35236987, PMCID: PMC9157509 method MX · beamline 8.3.1
  8. Barbosa Da Silva E, Sharma V, Hernandez-Alvarez L, Tang AH, Stoye A, O’Donoghue AJ, et al. Intramolecular Interactions Enhance the Potency of Gallinamide A Analogues against Trypanosoma cruzi. J Med Chem. 2022 Mar 10;65(5):4255-4269. doi: 10.1021/acs.jmedchem.1c02063. PubMed PMID: 35188371. method MX · beamline 8.3.1
  9. Zhao M, Lachowski KJ, Zhang S, Alamdari S, Sampath J, Mu P, et al. Hierarchical Self-Assembly Pathways of Peptoid Helices and Sheets. Biomacromolecules. 2022 Mar 14;23(3):992-1008. doi: 10.1021/acs.biomac.1c01385. PubMed PMID: 35020390. method MX · beamline 8.3.1 · non-biomedical
  10. Krivacic C, Kundert K, Pan X, Pache RA, Liu L, Conchúir SO, et al. Accurate positioning of functional residues with robotics-inspired computational protein design. Proc Natl Acad Sci U S A. 2022 Mar 15;119(11):e2115480119. doi: 10.1073/pnas.2115480119. PubMed PMID: 35254891; PubMed Central PMCID: PMC8931229. method MX · beamline 8.3.1 · staff author: James S. Fraser
  11. Cofsky JC, et al. Crystal structure of an RNA/DNA strand exchange junction. PLoS One. 2022 Apr 18;17(4):e0263547. PMID: 35436289, PMCID: PMC9015157 method MX · beamline 8.3.1
  12. Peters JK, et al. Structure of the poxvirus decapping enzyme D9 reveals its mechanism of cap recognition and catalysis. Structure. 2022 May 5. doi: 10.1016/j.str.2022.02.012. PMID: 35290794; PMCID: PMC9081138. method MX · beamline 8.3.1
  13. Akkineni S, et al. Amyloid-like amelogenin nanoribbons template mineralization via a low-energy interface of ion binding sites. Proc Natl Acad Sci U S A. 2022 May 10. doi: 10.1073/pnas.2106965119. PMID: 35522709; PMCID: PMC9172371. method MX · beamline 8.3.1
  14. Hulce KR, et al. Inhibiting a dynamic viral protease by targeting a non-catalytic cysteine. Cell Chem Biol. 2022 May 19;29(5):785-798. PMID: 35364007, PMCID: PMC9133232 method MX · beamline 8.3.1
  15. Correy GJ, et al. The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature. Sci Adv. 2022 May 27. doi: 10.1126/sciadv.abo5083. PMID: 35622909; PMCID: PMC9140965. method MX · beamline 8.3.1
  16. Jian T, et al. Highly stable and tunable peptoid/hemin enzymatic mimetics with natural peroxidase-like activities. Nat Commun. 2022 May 31. doi: 10.1038/s41467-022-30285-9. PMID: 35641490; PMCID: PMC9156750. method MX · beamline 8.3.1 · non-biomedical
  17. Xu Z, et al. Pentameric assembly of the Kv2.1 tetramerization domain. Acta Crystallogr D Struct Biol. 2022 Jun 1;78(Pt 6):792-802. PMID: 35647925; PMCID: PMC9159280 method MX · beamline 8.3.1
  18. Arrigoni C, et al. Quaternary structure independent folding of voltage-gated ion channel pore domain subunits. Nat Struct Mol Biol. 2022 Jun 1. doi: 10.1038/s41594-022-00775-x. PMID: 35655098; PMCID: PMC9809158. method MX · beamline 8.3.1
  19. Kakkis A, Golub E, Choi TS, Tezcan FA. Redox- and metal-directed structural diversification in designed metalloprotein assemblies. Chem Commun (Camb). 2022 Jun 16;58(49):6958-6961. doi: 10.1039/d2cc02440c. PubMed PMID: 35642584; PubMed Central PMCID: PMC9419291. [also TOC1] method MX · beamline 8.3.1, 5.0.1, 5.0.2
  20. Bednarczyk M, et al. Fluorescence-Based Activity Screening Assay Reveals Small Molecule Inhibitors of Vaccinia Virus mRNA Decapping Enzyme D9. ACS Chem Biol. 2022 Jun 17. doi: 10.1021/acschembio.2c00049. PMID: 35576528; PMCID: PMC9207806. method MX · beamline 8.3.1
  21. Azimova D, et al. Cbp1, a fungal virulence factor under positive selection, forms an effector complex that drives macrophage lysis. PLoS Pathog. 2022 Jun 22;18(6):e1010417. PMID: 35731824; PMCID: PMC9255746 method MX · beamline 8.3.1
  22. Radkov A, et al. Antibacterial potency of type VI amidase effector toxins is dependent on substrate topology and cellular context. Elife. 2022 Jun 28. doi: 10.7554/eLife.79796. PMID: 35762582; PMCID: PMC9270033. method MX · beamline 8.3.1 · non-biomedical
  23. Nienhaus K, Sharma V, Nienhaus GU, Podust LM. Homodimerization Counteracts the Detrimental Effect of Nitrogenous Heme Ligands on the Enzymatic Activity of Acanthamoeba castellanii CYP51. Biochemistry. 2022 Jul 5;61(13):1363-1377. doi: 10.1021/acs.biochem.2c00198. PubMed PMID: 35730528. method MX · beamline 8.3.1
  24. Rouleau-Turcotte É, et al. Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery. Mol Cell. 2022 Aug 18. doi: 10.1016/j.molcel.2022.06.011. PMID: 35793673; PMCID: PMC9391306. method MX · beamline 8.3.1
  25. Yang T, et al. Reversible lysine-targeted probes reveal residence time-based kinase selectivity. Nat Chem Biol. 2022 Sep 1. doi: 10.1038/s41589-022-01019-1. PMID: 35590003; PMCID: PMC9970282. method MX · beamline 8.3.1
  26. Zhang Z, et al. A covalent inhibitor of K-Ras(G12C) induces MHC class I presentation of haptenated peptide neoepitopes targetable by immunotherapy. Cancer Cell. 2022 Sep 12;40(9):1060-1069. PMID: 36099883, PMCID: PMC10393267 method MX · beamline 8.3.1
  27. Chan HY, et al. Molecular Analysis of pSK1 par: A Novel Plasmid Partitioning System Encoded by Staphylococcal Multiresistance Plasmids. J Mol Biol. 2022 Oct 15. doi: 10.1016/j.jmb.2022.167770. PMID: 35907571; PMCID: PMC9595883. method MX · beamline 8.3.1
  28. Kuttiyatveetil JRA, et al. Crystal structures and functional analysis of the ZnF5-WWE1-WWE2 region of PARP13/ZAP define a distinctive mode of engaging poly(ADP-ribose). Cell Rep. 2022 Oct 25. doi: 10.1016/j.celrep.2022.111529. PMID: 36288691; PMCID: PMC9720839. method MX · beamline 8.3.1
  29. Wang Y, et al. Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase. J Med Chem. 2022 Oct 27. doi: 10.1021/acs.jmedchem.2c00902. PMID: 36218371; PMCID: PMC10755971. method MX · beamline 8.3.1
  30. Morgenstern TJ, et al. Selective posttranslational inhibition of Ca(V)β(1)-associated voltage-dependent calcium channels with a functionalized nanobody. Nat Commun. 2022 Dec 9. doi: 10.1038/s41467-022-35025-7. PMID: 36494348; PMCID: PMC9734117. method MX · beamline 8.3.1

TOC4 — High-Throughput X-Ray Mass Spectrometry (XFMS) (3)

  1. Rosi M, et al. An automated liquid jet for fluorescence dosimetry and microsecond radiolytic labeling of proteins. Commun Biol. 2022 Aug 25;5(1):866. PMID: 36008591. PMCID: PMC9411504 DOI: 10.1038/s42003-022-03775-1 method: XFMS · beamline 3.3.1
  2. Ralston CY, Sharp JS. Structural Investigation of Therapeutic Antibodies Using Hydroxyl Radical Protein Footprinting Methods. Antibodies (Basel). 2022 Nov 14;11(4). doi: 10.3390/antib11040071. PMID: 36412837; PMCID: PMC9680451. method; XFMS · beamline 3.3.1 · staff author: Corie Y. Ralston
  3. Ralston CY, et al. Integrated Structural Studies for Elucidating Carotenoid-Protein Interactions. Adv Exp Med Biol. 2022;1371:1-10. PMID: 33963527; PMCID: PMC9522475 DOI: 10.1007/5584_2020_615. method: XFMS · beamline 3.3.1 · staff author: Corie Ralston · non-biomedical

© 2026 ALS-ENABLE. Built using WordPress and Mesmerize Theme.