ALS-ENABLE Publications: 2021

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

TOC1 — Rapid Response Crystallography (127)

  1. Dutta A, Batish M, Parashar V. Structural basis of KdpD histidine kinase binding to the second messenger c-di-AMP. J Biol Chem. 2021 Jan-Jun;296:100771. doi: 10.1016/j.jbc.2021.100771. PubMed PMID: 33989637; PubMed Central PMCID: PMC8214093. method MX · beamline 5.0.1, 5.0.2
  2. Furey IM, Mehta SC, Sankaran B, Hu L, Prasad BVV, Palzkill T. Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 β-lactamase. J Biol Chem. 2021 Jan-Jun;296:100799. doi: 10.1016/j.jbc.2021.100799. PubMed PMID: 34022225; PubMed Central PMCID: PMC8189571. method MX · beamline 5.0.1, 8.2.1, 8.2.2 · staff author: Banumathi Sankaran
  3. Hao Y, Créquer-Grandhomme A, Javier N, Singh A, Chen H, Manzanillo P, et al. Structures and mechanism of human glycosyltransferase β1,3-N-acetylglucosaminyltransferase 2 (B3GNT2), an important player in immune homeostasis. J Biol Chem. 2021 Jan-Jun;296:100042. doi: 10.1074/jbc.RA120.015306. PubMed PMID: 33158990; PubMed Central PMCID: PMC7948737. method MX · beamline 5.0.1, 5.0.2
  4. Mosure SA, Strutzenberg TS, Shang J, Munoz-Tello P, Solt LA, Griffin PR, et al. Structural basis for heme-dependent NCoR binding to the transcriptional repressor REV-ERBβ. Sci Adv. 2021 Jan;7(5). doi: 10.1126/sciadv.abc6479. PubMed PMID: 33571111; PubMed Central PMCID: PMC7840129. method MX · beamline 5.0.2
  5. Pallares RM, Carter KP, Faulkner D, Abergel RJ. Macromolecular crystallography for f-element complex characterization. Methods Enzymol. 2021;651:139-155. doi: 10.1016/bs.mie.2021.01.014. PubMed PMID: 33888202. method MX · beamline 5.0.1, 5.0.2 · non-biomedical
  6. Peskin AV, Meotti FC, Kean KM, Göbl C, Peixoto AS, Pace PE, et al. Modifying the resolving cysteine affects the structure and hydrogen peroxide reactivity of peroxiredoxin 2. J Biol Chem. 2021 Jan-Jun;296:100494. doi: 10.1016/j.jbc.2021.100494. PubMed PMID: 33667550; PubMed Central PMCID: PMC8049995. method MX · beamline 5.0.2, 5.0.3
  7. Ronayne EK, Peters SC, Gish JS, Wilson C, Spencer HT, Doering CB, et al. Structure of Blood Coagulation Factor VIII in Complex With an Anti-C2 Domain Non-Classical, Pathogenic Antibody Inhibitor. Front Immunol. 2021;12:697602. doi: 10.3389/fimmu.2021.697602. PubMed PMID: 34177966; PubMed Central PMCID: PMC8223065. method MX · beamline 5.0.1
  8. Usher ET, Sabri N, Rohac R, Boal AK, Mittag T, Showalter SA. Intrinsically disordered substrates dictate SPOP subnuclear localization and ubiquitination activity. J Biol Chem. 2021 Jan-Jun;296:100693. doi: 10.1016/j.jbc.2021.100693. PubMed PMID: 33894201; PubMed Central PMCID: PMC8138767. method MX · beamline 8.2.2
  9. Ye Q, Lu S, Corbett KD. Structural Basis for SARS-CoV-2 Nucleocapsid Protein Recognition by Single-Domain Antibodies. Front Immunol. 2021;12:719037. doi: 10.3389/fimmu.2021.719037. PubMed PMID: 34381460; PubMed Central PMCID: PMC8351461. method MX · beamline 5.0.2
  10. Yu Z, Ku AF, Anglin JL, Sharma R, Ucisik MN, Faver JC, Li F, Nyshadham P, Simmons N, Sharma KL, et al. Discovery and characterization of bromodomain 2–specific inhibitors of BRDT. Proceedings of the National Academy of Sciences. 2021;118(9):e2021102118. PMID: 33637650. PMCID: PMC7936271. [also TOC2] method MX · beamline 5.0.1 · staff author: Banumathi Sankaran
  11. Huysmans GHM, Ciftci D, Wang X, Blanchard SC, Boudker O. The high-energy transition state of the glutamate transporter homologue GltPh. EMBO J. 2021 Jan 4;40(1):e105415. doi: 10.15252/embj.2020105415. PubMed PMID: 33185289; PubMed Central PMCID: PMC7780239. method MX · beamline 8.2.2
  12. Palayam M, et al., 2021 Jan 4. Structural insights into photoactivation of plant Cryptochrome-2. Commun Biol. 4(1):28. doi: 10.1038/s42003-020-01531-x. PMID: 33398020. method MX · beamline 8.2.1 · non-biomedical
  13. Bajic G, Harrison SC. Antibodies That Engage the Hemagglutinin Receptor-Binding Site of Influenza B Viruses. ACS Infect Dis. 2021 Jan 8;7(1):1-5. doi: 10.1021/acsinfecdis.0c00726. PubMed PMID: 33274930; PubMed Central PMCID: PMC8276581. method MX · beamline 8.2.2
  14. Burley KH, Cuthbert BJ, Basu P, Newcombe J, Irimpan EM, Quechol R, et al. Structural and Molecular Dynamics of Mycobacterium tuberculosis Malic Enzyme, a Potential Anti-TB Drug Target. ACS Infect Dis. 2021 Jan 8;7(1):174-188. doi: 10.1021/acsinfecdis.0c00735. PubMed PMID: 33356117; PubMed Central PMCID: PMC8083904. method MX · beamline 8.2.1
  15. Bandarage UK, Aronov AM, Cao J, Come JH, Cottrell KM, Davies RJ, et al. Discovery of a Novel Series of Potent and Selective Alkynylthiazole-Derived PI3Kγ Inhibitors. ACS Med Chem Lett. 2021 Jan 14;12(1):129-135. doi: 10.1021/acsmedchemlett.0c00573. PubMed PMID: 33488974; PubMed Central PMCID: PMC7812679. beamline 5.0.2
  16. de Moraes MH, Hsu F, Huang D, Bosch DE, Zeng J, Radey MC, et al. An interbacterial DNA deaminase toxin directly mutagenizes surviving target populations. Elife. 2021 Jan 15;10. doi: 10.7554/eLife.62967. PubMed PMID: 33448264; PubMed Central PMCID: PMC7901873. method MX · beamline 8.2.2
  17. McMillan D, Martinez-Fleites C, Porter J, Fox D 3rd, Davis R, Mori P, et al. Structural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF. Nat Commun. 2021 Jan 25;12(1):582. doi: 10.1038/s41467-020-20828-3. PubMed PMID: 33495441; PubMed Central PMCID: PMC7835368. method MX · beamline 5.0.1
  18. Zhang W, Kim SC, Tam CP, Lelyveld VS, Bala S, Chaput JC, et al. Structural interpretation of the effects of threo-nucleotides on nonenzymatic template-directed polymerization. Nucleic Acids Res. 2021 Jan 25;49(2):646-656. doi: 10.1093/nar/gkaa1215. PubMed PMID: 33347562; PubMed Central PMCID: PMC7826252. method MX · beamline 8.2.2
  19. Horikoshi N, Hwang S, Gati C, Matsui T, Castillo-Orellana C, Raub AG, et al. Long-range structural defects by pathogenic mutations in most severe glucose-6-phosphate dehydrogenase deficiency. Proc Natl Acad Sci U S A. 2021 Jan 26;118(4). doi: 10.1073/pnas.2022790118. PubMed PMID: 33468660; PubMed Central PMCID: PMC7848525. method MX · beamline 5.0.2
  20. Tawada M, Fushimi M, Masuda K, Sun H, Uchiyama N, Kosugi Y, et al. Discovery of a Novel and Brain-Penetrant O-GlcNAcase Inhibitor via Virtual Screening, Structure-Based Analysis, and Rational Lead Optimization. J Med Chem. 2021 Jan 28;64(2):1103-1115. doi: 10.1021/acs.jmedchem.0c01712. PubMed PMID: 33404239. method MX · beamline 5.0.3
  21. Park S, Pascua E, Lindquist KC, Kimberlin C, Deng X, Mak YSL, et al. Direct control of CAR T cells through small molecule-regulated antibodies. Nat Commun. 2021 Jan 29;12(1):710. doi: 10.1038/s41467-020-20671-6. PubMed PMID: 33514714; PubMed Central PMCID: PMC7846603. method MX · beamline 5.0.2
  22. Amezcua, M., et al., 2021 Feb. Discovery of Dipeptides as Potent Botulinum Neurotoxin A Light-Chain Inhibitors. ACS Med. Chem. Lett. 12, 295–301. doi:10.1021/acsmedchemlett.0c00674 PMID: 33603978. method MX · beamline 4.2.2
  23. Hongdusit, A., et al., 2021 Feb. Optogenetic analysis of allosteric control in protein tyrosine phosphatases. Biochemistry. doi:10.1021/acs.biochem.0c00841 PMID: 33450156. method MX · beamline 5.2.1
  24. Kim C, Sharma R. Cyclic nucleotide selectivity of protein kinase G isozymes. Protein Sci. 2021 Feb;30(2):316-327. doi: 10.1002/pro.4008. PMID: 33271627. method MX · beamline 8.2.1
  25. Nixon, C.F., et al., 2021 Feb. Exploring the Evolutionary History of Kinetic Stability in the α-Lytic Protease Family. Biochemistry 60, 170–181. doi:10.1021/acs.biochem.0c00720 PMID: 33433210. method MX · beamline 8.2.2
  26. Samuels, E.R., et al., 2021 Feb. Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int. J. Mol. Sci. 22. doi:10.3390/ijms22020852 PMID: 33467005, PMCID: PMC7830545. method MX · beamline 5.0.2, 8.2.2
  27. Thomson, E.C., et al., 2021 Feb. Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity. Cell 184, 1171-1187.e20. doi:10.1016/j.cell.2021.01.037 PMID: 33621484. method MX · beamline 4.2.2
  28. Majewski DD, Okon M, Heinkel F, Robb CS, Vuckovic M, McIntosh LP, et al. Characterization of the Pilotin-Secretin Complex from the Salmonella enterica Type III Secretion System Using Hybrid Structural Methods. Structure. 2021 Feb 4;29(2):125-138.e5. doi: 10.1016/j.str.2020.08.006. PubMed PMID: 32877645. method MX · beamline 5.0.2
  29. Kalagiri R, Stanfield RL, Meisenhelder J, La Clair JJ, Fuhs SR, Wilson IA, et al. Structural basis for differential recognition of phosphohistidine-containing peptides by 1-pHis and 3-pHis monoclonal antibodies. Proc Natl Acad Sci U S A. 2021 Feb 9;118(6). doi: 10.1073/pnas.2010644118. PubMed PMID: 33547238; PubMed Central PMCID: PMC8017925. method MX · beamline 5.0.1, 5.0.3
  30. Copeland RA, Davis KM, Shoda TKC, Blaesi EJ, Boal AK, Krebs C, et al. An Iron(IV)-Oxo Intermediate Initiating l-Arginine Oxidation but Not Ethylene Production by the 2-Oxoglutarate-Dependent Oxygenase, Ethylene-Forming Enzyme. J Am Chem Soc. 2021 Feb 10;143(5):2293-2303. doi: 10.1021/jacs.0c10923. PubMed PMID: 33522811; PubMed Central PMCID: PMC7962147. method MX · beamline 8.2.2
  31. Miller KR, Biswas S, Jasniewski A, Follmer AH, Biswas A, Albert T, et al. Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers. J Am Chem Soc. 2021 Feb 10;143(5):2384-2393. doi: 10.1021/jacs.0c12564. PubMed PMID: 33528256; PubMed Central PMCID: PMC7895470. method MX · beamline 5.0.2, 8.2.1 · non-biomedical
  32. Stojanoski, V., et al., 2021 Feb 12. “Mechanistic Basis of OXA-48-like β-Lactamases’ Hydrolysis of Carbapenems.” ACS Infect Dis. 7(2):445-460. doi: 10.1021/acsinfecdis.0c00798. PMID: 33492952. method MX · beamline 5.0.1
  33. Velappan N, Close D, Hung LW, Naranjo L, Hemez C, DeVore N, et al. Construction, characterization and crystal structure of a fluorescent single-chain Fv chimera. Protein Eng Des Sel. 2021 Feb 15;34. doi: 10.1093/protein/gzaa029. PubMed PMID: 33586761; PubMed Central PMCID: PMC7901706. method MX · beamline 5.0.2
  34. Glassman CR, Mathiharan YK, Jude KM, Su L, Panova O, Lupardus PJ, et al. Structural basis for IL-12 and IL-23 receptor sharing reveals a gateway for shaping actions on T versus NK cells. Cell. 2021 Feb 18;184(4):983-999.e24. doi: 10.1016/j.cell.2021.01.018. PubMed PMID: 33606986; PubMed Central PMCID: PMC7899134. method MX · beamline 8.2.2
  35. Baba R, Matsuda S, Arakawa Y, Yamada R, Suzuki N, Ando T, et al. LSD1 enzyme inhibitor TAK-418 unlocks aberrant epigenetic machinery and improves autism symptoms in neurodevelopmental disorder models. Sci Adv. 2021 Mar;7(11). doi: 10.1126/sciadv.aba1187. PubMed PMID: 33712455; PubMed Central PMCID: PMC7954450. method MX · beamline 5.0.2
  36. Huang, J., et al., 2021 Mar. Second distinct conformation of the phosphohistidine loop in succinyl-CoA synthetase. Acta Crystallogr. D Struct. Biol. 77, 357–368. doi:10.1107/S2059798321000334 PMID: 33645539. method MX · beamline 5.0.2
  37. Surka, C., et al., 2021 Mar. CC-90009, a novel cereblon E3 ligase modulator, targets acute myeloid leukemia blasts and leukemia stem cells. Blood 137, 661–677. doi:10.1182/blood.2020008676 PMID: 33197925, PMCID: PMC8215192. method MX · beamline 5.0.1
  38. Nakajima R, Oono H, Kumazawa K, Ida T, Hirata J, White RD, et al. Discovery of 6-Oxo-4-phenyl-hexanoic acid derivatives as RORγt inverse agonists showing favorable ADME profile. Bioorg Med Chem Lett. 2021 Mar 15;36:127786. doi: 10.1016/j.bmcl.2021.127786. PubMed PMID: 33493627. beamline 5.0.2
  39. Paul D. Adams. O-/N-/S-Specificity in Glycosyltransferase Catalysis: From Mechanistic Understanding to Engineering. ACS Catalysis. PMID not assigned; doi: 10.1021/acscatal.0c04171. method MX (from the beamline, not the text) · beamline 5.0.3 · staff author: Paul D. Adams · non-biomedical
  40. Yang KS, Ma XR, Ma Y, Alugubelli YR, Scott DA, Vatansever EC, et al. A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*. ChemMedChem. 2021 Mar 18;16(6):942-948. doi: 10.1002/cmdc.202000924. PubMed PMID: 33283984; PubMed Central PMCID: PMC7979488. beamline 5.0.2 · staff author: Banumathi Sankaran
  41. Davies CW, Stowe I, Phung QT, Ho H, Bakalarski CE, Gupta A, et al. Discovery of a caspase cleavage motif antibody reveals insights into noncanonical inflammasome function. Proc Natl Acad Sci U S A. 2021 Mar 23;118(12). doi: 10.1073/pnas.2018024118. PubMed PMID: 33723046; PubMed Central PMCID: PMC8000503. method MX · beamline 5.0.2
  42. Mulligan VK, Workman S, Sun T, Rettie S, Li X, Worrall LJ, et al. Computationally designed peptide macrocycle inhibitors of New Delhi metallo-β-lactamase 1. Proc Natl Acad Sci U S A. 2021 Mar 23;118(12). doi: 10.1073/pnas.2012800118. PubMed PMID: 33723038; PubMed Central PMCID: PMC8000195. method MX · beamline 5.0.1
  43. Hu E, Hong FT, Aral J, Long J, Piper DE, Poppe L, et al. Discovery of Selective Pituitary Adenylate Cyclase 1 Receptor (PAC1R) Antagonist Peptides Potent in a Maxadilan/PACAP38-Induced Increase in Blood Flow Pharmacodynamic Model. J Med Chem. 2021 Mar 25;64(6):3427-3438. doi: 10.1021/acs.jmedchem.0c01396. PubMed PMID: 33715378. method MX · beamline 5.0.1
  44. Chang, L., et al., 2021 Apr. Discovery of small molecules targeting the tandem tudor domain of the epigenetic factor UHRF1 using fragment-based ligand discovery. Sci. Rep. 11, 1121. doi:10.1038/s41598-020-80588-4 PMID: 33441849, PMCID: PMC7806715. method MX · beamline 5.0.1
  45. Flower, T.G., et al., 2021 Apr. Structure of SARS-CoV-2 ORF8, a rapidly evolving immune evasion protein. Proc Natl Acad Sci USA 118. doi:10.1073/pnas.2021785118 PMID: 33361333, PMCID: PMC7812859. method MX · beamline 5.0.2
  46. Hsia, Y., et al., 2021 Apr. Design of multi-scale protein complexes by hierarchical building block fusion. Nat. Commun. 12, 2294. doi:10.1038/s41467-021-22276-z PMID: 33863889, PMCID: PMC8052403. [also TOC2] method MX · beamline 8.2.2
  47. Jeng SCY, Trachman RJ 3rd, Weissenboeck F, Truong L, Link KA, Jepsen MDE, et al. Fluorogenic aptamers resolve the flexibility of RNA junctions using orientation-dependent FRET. RNA. 2021 Apr;27(4):433-444. doi: 10.1261/rna.078220.120. PubMed PMID: 33376189; PubMed Central PMCID: PMC7962493. method MX · beamline 5.0.1, 5.0.2
  48. Rebensburg SV, Wei G, Larue RC, Lindenberger J, Francis AC, Annamalai AS, et al. Sec24C is an HIV-1 host dependency factor crucial for virus replication. Nat Microbiol. 2021 Apr;6(4):435-444. doi: 10.1038/s41564-021-00868-1. PubMed PMID: 33649557; PubMed Central PMCID: PMC8012256. method MX · beamline 5.0.1
  49. Thouvenel CD, Fontana MF, Netland J, Krishnamurty AT, Takehara KK, Chen Y, et al. Multimeric antibodies from antigen-specific human IgM+ memory B cells restrict Plasmodium parasites. J Exp Med. 2021 Apr 5;218(4). doi: 10.1084/jem.20200942. PubMed PMID: 33661302; PubMed Central PMCID: PMC7938364. method MX · beamline 5.0.2
  50. Cockerill GS, Angell RM, Bedernjak A, Chuckowree I, Fraser I, Gascon-Simorte J, et al. Discovery of Sisunatovir (RV521), an Inhibitor of Respiratory Syncytial Virus Fusion. J Med Chem. 2021 Apr 8;64(7):3658-3676. doi: 10.1021/acs.jmedchem.0c01882. PubMed PMID: 33729773. beamline 5.0.2
  51. Huestis MP, Dela Cruz D, DiPasquale AG, Durk MR, Eigenbrot C, Gibbons P, et al. Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3H)-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor. J Med Chem. 2021 Apr 8;64(7):3940-3955. doi: 10.1021/acs.jmedchem.0c02085. PubMed PMID: 33780623. method MX · beamline 5.0.2
  52. Kingsley LJ, He X, McNeill M, Nelson J, Nikulin V, Ma Z, et al. Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology. J Med Chem. 2021 Apr 22;64(8):4857-4869. doi: 10.1021/acs.jmedchem.0c02152. PubMed PMID: 33821636. beamline 5.0.3
  53. Pajak J, Atz R, Hilbert BJ, Morais MC, Kelch BA, Jardine PJ, et al. Viral packaging ATPases utilize a glutamate switch to couple ATPase activity and DNA translocation. Proc Natl Acad Sci U S A. 2021 Apr 27;118(17). doi: 10.1073/pnas.2024928118. PubMed PMID: 33888587; PubMed Central PMCID: PMC8092589. method MX · beamline 5.0.1
  54. McCallum M, De Marco A, Lempp FA, Tortorici MA, Pinto D, Walls AC, et al. N-terminal domain antigenic mapping reveals a site of vulnerability for SARS-CoV-2. Cell. 2021 Apr 29;184(9):2332-2347.e16. doi: 10.1016/j.cell.2021.03.028. PubMed PMID: 33761326; PubMed Central PMCID: PMC7962585. method MX · beamline 5.0.2
  55. Lopez-Ramirez MA, McCurdy S, Li W, Haynes MK, Hale P, Francisco K, et al. Inhibition of the HEG1-KRIT1 interaction increases KLF4 and KLF2 expression in endothelial cells. FASEB Bioadv. 2021 May;3(5):334-355. doi: 10.1096/fba.2020-00141. PubMed PMID: 33977234; PubMed Central PMCID: PMC8103725. method MX · beamline 5.0.3
  56. Woodson M, Pajak J, Mahler BP, Zhao W, Zhang W, Arya G, et al. A viral genome packaging motor transitions between cyclic and helical symmetry to translocate dsDNA. Sci Adv. 2021 May;7(19). doi: 10.1126/sciadv.abc1955. PubMed PMID: 33962953; PubMed Central PMCID: PMC8104870. method MX · beamline 5.0.1
  57. VanBlargan LA, et al., 2021 May 3. Broadly neutralizing monoclonal antibodies protect against multiple tick-borne flaviviruses J Exp Med. 218(5):e20210174. doi: 10.1084/jem.20210174. PMID: 33831142, PMCID: PMC8040518. method MX · beamline 4.2.2
  58. Seydoux E, Wan YH, Feng J, Wall A, Aljedani S, Homad LJ, et al. Development of a VRC01-class germline targeting immunogen derived from anti-idiotypic antibodies. Cell Rep. 2021 May 4;35(5):109084. doi: 10.1016/j.celrep.2021.109084. PubMed PMID: 33951425; PubMed Central PMCID: PMC8127986. method MX · beamline 5.0.1, 5.0.2
  59. Lee E, Bujalowski PJ, Teramoto T, Gottipati K, Scott SD, Padmanabhan R, et al. Structures of flavivirus RNA promoters suggest two binding modes with NS5 polymerase. Nat Commun. 2021 May 5;12(1):2530. doi: 10.1038/s41467-021-22846-1. PubMed PMID: 33953197; PubMed Central PMCID: PMC8100141. method MX · beamline 5.0.1
  60. Rossey I, Hsieh CL, Sedeyn K, Ballegeer M, Schepens B, Mclellan JS, et al. A vulnerable, membrane-proximal site in human respiratory syncytial virus F revealed by a prefusion-specific single-domain antibody. J Virol. 2021 May 10;95(11). doi: 10.1128/JVI.02279-20. PubMed PMID: 33692208; PubMed Central PMCID: PMC8139709. method MX · beamline 5.0.2
  61. Chim N, Meza RA, Trinh AM, Yang K, Chaput JC. Following replicative DNA synthesis by time-resolved X-ray crystallography. Nat Commun. 2021 May 11;12(1):2641. doi: 10.1038/s41467-021-22937-z. PubMed PMID: 33976175; PubMed Central PMCID: PMC8113479. method MX · beamline 5.0.2, 5.0.3, 8.2.1
  62. Kim HS, Hammill JT, Scott DC, Chen Y, Rice AL, Pistel W, et al. Improvement of Oral Bioavailability of Pyrazolo-Pyridone Inhibitors of the Interaction of DCN1/2 and UBE2M. J Med Chem. 2021 May 13;64(9):5850-5862. doi: 10.1021/acs.jmedchem.1c00035. PubMed PMID: 33945681; PubMed Central PMCID: PMC8159160. method MX · beamline 8.2.1
  63. Yan NL, Santos-Martins D, Nair R, Chu A, Wilson IA, Johnson KA, et al. Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design. J Med Chem. 2021 May 13;64(9):6273-6299. doi: 10.1021/acs.jmedchem.1c00339. PubMed PMID: 33939422; PubMed Central PMCID: PMC8428256. method MX · beamline 5.0.3
  64. Jafari N, Del Rio J, Akimoto M, Byun JA, Boulton S, Moleschi K, et al. Noncanonical protein kinase A activation by oligomerization of regulatory subunits as revealed by inherited Carney complex mutations. Proc Natl Acad Sci U S A. 2021 May 25;118(21). doi: 10.1073/pnas.2024716118. PubMed PMID: 34006641; PubMed Central PMCID: PMC8166182. method MX · beamline 8.2.2
  65. Gish JS, Jarvis L, Childers KC, Peters SC, Garrels CS, Smith IW, et al. Structure of blood coagulation factor VIII in complex with an anti-C1 domain pathogenic antibody inhibitor. Blood. 2021 May 27;137(21):2981-2986. doi: 10.1182/blood.2020008940. PubMed PMID: 33529335; PubMed Central PMCID: PMC8160500. method MX · beamline 5.0.1
  66. Vyskocil S, Cardin D, Ciavarri J, Conlon J, Cullis C, England D, et al. Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route. J Med Chem. 2021 May 27;64(10):6902-6923. doi: 10.1021/acs.jmedchem.1c00374. PubMed PMID: 34000802. beamline 5.0.2, 5.0.3
  67. Deo C, Abdelfattah AS, Bhargava HK, Berro AJ, Falco N, Farrants H, et al. The HaloTag as a general scaffold for far-red tunable chemigenetic indicators. Nat Chem Biol. 2021 Jun;17(6):718-723. doi: 10.1038/s41589-021-00775-w. PubMed PMID: 33795886. method MX · beamline 8.2.1
  68. Fang J, Leichter SM, Jiang J, Biswal M, Lu J, Zhang ZM, et al. Substrate deformation regulates DRM2-mediated DNA methylation in plants. Sci Adv. 2021 Jun;7(23). doi: 10.1126/sciadv.abd9224. PubMed PMID: 34078593; PubMed Central PMCID: PMC8172135. method MX · beamline 5.0.1, 5.0.2 · non-biomedical
  69. Govande AA, Duncan-Lowey B, Eaglesham JB, Whiteley AT, Kranzusch PJ. Molecular basis of CD-NTase nucleotide selection in CBASS anti-phage defense. Cell Rep. 2021 Jun 1;35(9):109206. doi: 10.1016/j.celrep.2021.109206. PubMed PMID: 34077735. method MX · beamline 8.2.2
  70. Sauer MM, Tortorici MA, Park YJ, Walls AC, Homad L, Acton OJ, et al. Structural basis for broad coronavirus neutralization. Nat Struct Mol Biol. 2021 Jun;28(6):478-486. doi: 10.1038/s41594-021-00596-4. PubMed PMID: 33981021. beamline 5.0.1, 8.2.1
  71. Schiller ZA, Rudolph MJ, Toomey JR, Ejemel M, LaRochelle A, Davis SA, et al. Blocking Borrelia burgdorferi transmission from infected ticks to nonhuman primates with a human monoclonal antibody. J Clin Invest. 2021 Jun 1;131(11). doi: 10.1172/JCI144843. PubMed PMID: 33914704; PubMed Central PMCID: PMC8159683. method MX · beamline 8.2.2
  72. Vadivel K, Schmidt AE, Cascio D, Padmanabhan K, Krishnaswamy S, Brandstetter H, et al. Structure of human factor VIIa-soluble tissue factor with calcium, magnesium and rubidium. Acta Crystallogr D Struct Biol. 2021 Jun 1;77(Pt 6):809-819. doi: 10.1107/S2059798321003922. PubMed PMID: 34076594; PubMed Central PMCID: PMC8171065. method MX · beamline 5.0.2
  73. Biswal M, Diggs S, Xu D, Khudaverdyan N, Lu J, Fang J, et al. Two conserved oligomer interfaces of NSP7 and NSP8 underpin the dynamic assembly of SARS-CoV-2 RdRP. Nucleic Acids Res. 2021 Jun 4;49(10):5956-5966. doi: 10.1093/nar/gkab370. PubMed PMID: 33999154; PubMed Central PMCID: PMC8191759. method MX · beamline 5.0.1, 5.0.2
  74. Hosseinzadeh P, Watson PR, Craven TW, Li X, Rettie S, Pardo-Avila F, et al. Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun. 2021 Jun 7;12(1):3384. doi: 10.1038/s41467-021-23609-8. PubMed PMID: 34099674; PubMed Central PMCID: PMC8185074. method MX · beamline 5.0.3
  75. Baas BJ, Medellin BP, LeVieux JA, Erwin K, Lancaster EB, Johnson WH Jr, et al. Kinetic and Structural Analysis of Two Linkers in the Tautomerase Superfamily: Analysis and Implications. Biochemistry. 2021 Jun 8;60(22):1776-1786. doi: 10.1021/acs.biochem.1c00220. PubMed PMID: 34019384; PubMed Central PMCID: PMC8257045. method MX · beamline 8.2.2
  76. Wei P, Jordan KR, Buhrman JD, Lei J, Deng H, Marrack P, et al. Structures suggest an approach for converting weak self-peptide tumor antigens into superagonists for CD8 T cells in cancer. Proc Natl Acad Sci U S A. 2021 Jun 8;118(23). doi: 10.1073/pnas.2100588118. PubMed PMID: 34074778; PubMed Central PMCID: PMC8201969. method MX · beamline 8.2.2
  77. Tao ZF, Wang X, Chen J, Ingram JP, Jin S, Judge RA, et al. Structure-Based Design of A-1293102, a Potent and Selective BCL-X(L) Inhibitor. ACS Med Chem Lett. 2021 Jun 10;12(6):1011-1016. doi: 10.1021/acsmedchemlett.1c00162. PubMed PMID: 34141086; PubMed Central PMCID: PMC8201748. method MX · beamline 5.0.3
  78. Mindrebo JT, Chen A, Kim WE, Re RN, Davis TD, Noel JP, et al. Structure and mechanistic analyses of the gating mechanism of elongating ketosynthases. ACS Catal. 2021 Jun 18;11(12):6787-6799. doi: 10.1021/acscatal.1c00745. PubMed PMID: 36187225; PubMed Central PMCID: PMC9524369. method MX · beamline 8.2.1, 8.2.2
  79. Sarkar A, Kim EY, Jang T, Hongdusit A, Kim H, Choi JM, et al. Microbially Guided Discovery and Biosynthesis of Biologically Active Natural Products. ACS Synth Biol. 2021 Jun 18;10(6):1505-1519. doi: 10.1021/acssynbio.1c00074. PubMed PMID: 33988973. method MX · beamline 8.2.1
  80. Pajak J, Dill E, Reyes-Aldrete E, White MA, Kelch BA, Jardine PJ, et al. Atomistic basis of force generation, translocation, and coordination in a viral genome packaging motor. Nucleic Acids Res. 2021 Jun 21;49(11):6474-6488. doi: 10.1093/nar/gkab372. PubMed PMID: 34050764; PubMed Central PMCID: PMC8216284. method MX · beamline 5.0.1
  81. Chen YS, Kozlov G, Moeller BE, Rohaim A, Fakih R, Roux B, et al. Crystal structure of an archaeal CorB magnesium transporter. Nat Commun. 2021 Jun 29;12(1):4028. doi: 10.1038/s41467-021-24282-7. PubMed PMID: 34188059; PubMed Central PMCID: PMC8242095. method MX · beamline 5.0.2
  82. Fan S, Gangwar SP, Machius M, Rudenko G. Interplay between hevin, SPARC, and MDGAs: Modulators of neurexin-neuroligin transsynaptic bridges. Structure. 2021 Jul 1;29(7):664-678.e6. doi: 10.1016/j.str.2021.01.003. PubMed PMID: 33535026; PubMed Central PMCID: PMC8254758. method MX · beamline 5.0.1
  83. Liu Z, Zhao F, Zhao B, Yang J, Ferrara J, Sankaran B, et al. Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins. Nat Commun. 2021 Jul 6;12(1):4158. doi: 10.1038/s41467-021-24421-0. PubMed PMID: 34230497; PubMed Central PMCID: PMC8260726. method MX · beamline 5.0.2, 8.2.1 · staff author: Banumathi Sankaran
  84. Alvarado G, Salmen W, Ettayebi K, Hu L, Sankaran B, Estes MK, et al. Broadly cross-reactive human antibodies that inhibit genogroup I and II noroviruses. Nat Commun. 2021 Jul 14;12(1):4320. doi: 10.1038/s41467-021-24649-w. PubMed PMID: 34262046; PubMed Central PMCID: PMC8280134. method MX · beamline 5.0.1 · staff author: Banumathi Sankaran
  85. Slavik KM, et al., 2021 Jul 14. cGAS-like receptors sense RNA and control 3’2′-cGAMP signalling in Drosophila. Nature. 597(7874):109-113. doi: 10.1038/s41586-021-03743-5. PMID: 34261127. method MX · beamline 5.0.1, 8.2.2
  86. Starr TN, et al., 2021 Jul 14. SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape Nature. 597(7874):97-102. doi: 10.1038/s41586-021-03807-6. PMID: 34261126. method MX · beamline 4.2.2
  87. Suzuki A, Kunugi A, Tajima Y, Suzuki N, Suzuki M, Toyofuku M, et al. Strictly regulated agonist-dependent activation of AMPA-R is the key characteristic of TAK-653 for robust synaptic responses and cognitive improvement. Sci Rep. 2021 Jul 15;11(1):14532. doi: 10.1038/s41598-021-93888-0. PubMed PMID: 34267258; PubMed Central PMCID: PMC8282797. method MX · beamline 5.0.3
  88. Ultsch M, Holliday MJ, Gerhardy S, Moran P, Scales SJ, Gupta N, et al. Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif. Commun Biol. 2021 Jul 27;4(1):916. doi: 10.1038/s42003-021-02387-5. PubMed PMID: 34316015; PubMed Central PMCID: PMC8316464. method MX · beamline 5.0.2
  89. Davies CW, Vidal SE, Phu L, Sudhamsu J, Hinkle TB, Chan Rosenberg S, et al. Antibody toolkit reveals N-terminally ubiquitinated substrates of UBE2W. Nat Commun. 2021 Jul 29;12(1):4608. doi: 10.1038/s41467-021-24669-6. PubMed PMID: 34326324; PubMed Central PMCID: PMC8322077. method MX · beamline 5.0.2
  90. Dahlin HR, Zheng N, Scott JD. Beyond PKA: Evolutionary and structural insights that define a docking and dimerization domain superfamily. J Biol Chem. 2021 Aug;297(2):100927. doi: 10.1016/j.jbc.2021.100927. PubMed PMID: 34256050; PubMed Central PMCID: PMC8339350. method MX · beamline 8.2.2
  91. Lentzsch AM, Stamos JL, Yao J, Russell R, Lambowitz AM. Structural basis for template switching by a group II intron-encoded non-LTR-retroelement reverse transcriptase. J Biol Chem. 2021 Aug;297(2):100971. doi: 10.1016/j.jbc.2021.100971. PubMed PMID: 34280434; PubMed Central PMCID: PMC8363836. method MX · beamline 5.0.1
  92. Nam, S.-E., et al., 2021 Aug. Insights on autophagosome-lysosome tethering from structural and biochemical characterization of human autophagy factor EPG5. Commun. Biol. 4, 291. doi:10.1038/s42003-021-01830-x PMID: 33674710, PMCID: PMC7935953. method MX · beamline 5.0.2
  93. Oh J, Shin J, Unarta IC, Wang W, Feldman AW, Karadeema RJ, et al. Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II. Nat Chem Biol. 2021 Aug;17(8):906-914. doi: 10.1038/s41589-021-00817-3. PubMed PMID: 34140682; PubMed Central PMCID: PMC8319059. method MX · beamline 5.0.1, 5.0.3, 8.2.1
  94. Guan L, Hariharan P. X-ray crystallography reveals molecular recognition mechanism for sugar binding in a melibiose transporter MelB. Commun Biol. 2021 Aug 2;4(1):931. doi: 10.1038/s42003-021-02462-x. PubMed PMID: 34341464; PubMed Central PMCID: PMC8329300. method MX · beamline 5.0.1, 5.0.2
  95. Robinson CD, Sweeney EG, Ngo J, Ma E, Perkins A, Smith TJ, et al. Host-emitted amino acid cues regulate bacterial chemokinesis to enhance colonization. Cell Host Microbe. 2021 Aug 11;29(8):1221-1234.e8. doi: 10.1016/j.chom.2021.06.003. PubMed PMID: 34233153; PubMed Central PMCID: PMC8522913. method MX · beamline 5.0.2
  96. Ikeda S, Sugiyama H, Tokuhara H, Murakami M, Nakamura M, Oguro Y, et al. Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl Moiety. J Med Chem. 2021 Aug 12;64(15):11014-11044. doi: 10.1021/acs.jmedchem.1c00432. PubMed PMID: 34328319. beamline 5.0.3
  97. Chen H, Deng S, Albadari N, Yun MK, Zhang S, Li Y, et al. Design, Synthesis, and Biological Evaluation of Stable Colchicine-Binding Site Tubulin Inhibitors 6-Aryl-2-benzoyl-pyridines as Potential Anticancer Agents. J Med Chem. 2021 Aug 26;64(16):12049-12074. doi: 10.1021/acs.jmedchem.1c00715. PubMed PMID: 34378386; PubMed Central PMCID: PMC9206500. method MX · beamline 8.2.1
  98. Koike T, Yoshikawa M, Ando HK, Farnaby W, Nishi T, Watanabe E, et al. Discovery of Soticlestat, a Potent and Selective Inhibitor for Cholesterol 24-Hydroxylase (CH24H). J Med Chem. 2021 Aug 26;64(16):12228-12244. doi: 10.1021/acs.jmedchem.1c00864. PubMed PMID: 34387987. method MX · beamline 5.0.3
  99. Gleason PR, Kolbaba-Kartchner B, Henderson JN, Stahl EP, Simmons CR, Mills JH. Structural Origins of Altered Spectroscopic Properties upon Ligand Binding in Proteins Containing a Fluorescent Noncanonical Amino Acid. Biochemistry. 2021 Aug 31;60(34):2577-2585. doi: 10.1021/acs.biochem.1c00291. PubMed PMID: 34415744; PubMed Central PMCID: PMC8879415. method MX · beamline 5.0.2
  100. Aljedani SS, Liban TJ, Tran K, Phad G, Singh S, Dubrovskaya V, et al. Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization. PLoS Pathog. 2021 Sep;17(9):e1009543. doi: 10.1371/journal.ppat.1009543. PubMed PMID: 34559844; PubMed Central PMCID: PMC8494329. method MX · beamline 5.0.1, 5.0.2
  101. Huang LS, Lümmen P, Berry EA. Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors. Biochim Biophys Acta Proteins Proteom. 2021 Sep;1869(9):140679. doi: 10.1016/j.bbapap.2021.140679. PubMed PMID: 34089891; PubMed Central PMCID: PMC8516616. method MX · beamline 5.0.2, 8.2.2
  102. Su Z, et al., 2021 Sep 1. J Serial crystallography using automated drop dispensing. Synchrotron Radiat. 28(Pt 5):1386-1392. doi: 10.1107/S1600577521006160. PMID: 34475287. [also TOC3] method MX · beamline 8.2.1
  103. Shang J, Kojetin DJ. Structural mechanism underlying ligand binding and activation of PPARγ. Structure. 2021 Sep 2;29(9):940-950.e4. doi: 10.1016/j.str.2021.02.006. PubMed PMID: 33713599; PubMed Central PMCID: PMC8418994. method MX · beamline 5.0.3
  104. Chamakuri S, Lu S, Ucisik MN, Bohren KM, Chen YC, Du HC, et al. DNA-encoded chemistry technology yields expedient access to SARS-CoV-2 M(pro) inhibitors. Proc Natl Acad Sci U S A. 2021 Sep 7;118(36). doi: 10.1073/pnas.2111172118. PubMed PMID: 34426525; PubMed Central PMCID: PMC8433497. method MX · beamline 5.0.1 · staff author: Banumathi Sankaran
  105. Sabat M, Dougan DR, Knight B, Lawson JD, Scorah N, Smith CR, et al. Discovery of the Bruton’s Tyrosine Kinase Inhibitor Clinical Candidate TAK-020 (S)-5-(1-((1-Acryloylpyrrolidin-3-yl)oxy)isoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one, by Fragment-Based Drug Design. J Med Chem. 2021 Sep 9;64(17):12893-12902. doi: 10.1021/acs.jmedchem.1c01026. PubMed PMID: 34448571. method MX · beamline 5.0.3
  106. Sharma R, Choi KJ, Quan MD, Sharma S, Sankaran B, Park H, et al. Liquid condensation of reprogramming factor KLF4 with DNA provides a mechanism for chromatin organization. Nat Commun. 2021 Sep 22;12(1):5579. doi: 10.1038/s41467-021-25761-7. PubMed PMID: 34552088; PubMed Central PMCID: PMC8458463. method MX · beamline 5.0.1, 5.0.2 · staff author: Banumathi Sankaran
  107. Chan JC, Zhang B, Martinez M, Kuruba B, Brozik J, Kang C, et al. Structural studies of Myceliophthora Thermophila Laccase in the presence of deep eutectic solvents. Enzyme Microb Technol. 2021 Oct;150:109890. doi: 10.1016/j.enzmictec.2021.109890. PubMed PMID: 34489043. method MX · beamline 5.0.2, 5.0.3 · non-biomedical
  108. DaSilva JO, Yang K, Surriga O, Nittoli T, Kunz A, Franklin MC, et al. A Biparatopic Antibody- Drug Conjugate to Treat MET-Expressing Cancers, Including Those that Are Unresponsive to MET Pathway Blockade. Mol Cancer Ther. 2021 Oct;20(10):1966-1976. doi: 10.1158/1535-7163.MCT-21-0009. PubMed PMID: 34315762; PubMed Central PMCID: PMC9398133. method MX · beamline 5.0.2
  109. Trachman RJ 3rd, Ferré-D’Amaré AR. An uncommon [K(+)(Mg(2+))(2)] metal ion triad imparts stability and selectivity to the Guanidine-I riboswitch. RNA. 2021 Oct;27(10):1257-1264. doi: 10.1261/rna.078824.121. PubMed PMID: 34257148; PubMed Central PMCID: PMC8457001. method MX · beamline 5.0.1, 5.0.2
  110. Wofford HA, Myers-Dean J, Vogel BA, Alamo KAE, Longshore-Neate FA, Jagodzinski F, et al. Domain Analysis and Motif Matcher (DAMM): A Program to Predict Selectivity Determinants in Monosiga brevicollis PDZ Domains Using Human PDZ Data. Molecules. 2021 Oct 5;26(19). doi: 10.3390/molecules26196034. PubMed PMID: 34641578; PubMed Central PMCID: PMC8512817. beamline 5.0.1, 5.0.2
  111. Giurgiu C, Fang Z, Aitken HRM, Kim SC, Pazienza L, Mittal S, et al. Structure-Activity Relationships in Nonenzymatic Template-Directed RNA Synthesis. Angew Chem Int Ed Engl. 2021 Oct 11;60(42):22925-22932. doi: 10.1002/anie.202109714. PubMed PMID: 34428345; PubMed Central PMCID: PMC8490286. Method MX ·. beamline 5.0.1, 8.2.1, 8.2.2
  112. Feng Y, Park H, Ryu JC, Yoon SO. N-Aromatic-Substituted Indazole Derivatives as Brain- Penetrant and Orally Bioavailable JNK3 Inhibitors. ACS Med Chem Lett. 2021 Oct 14;12(10):1546-1552. doi: 10.1021/acsmedchemlett.1c00334. PubMed PMID: 34676036; PubMed Central PMCID: PMC8521607. beamline 5.0.2
  113. Li Q, Maola VA, Chim N, Hussain J, Lozoya-Colinas A, Chaput JC. Synthesis and Polymerase Recognition of Threose Nucleic Acid Triphosphates Equipped with Diverse Chemical Functionalities. J Am Chem Soc. 2021 Oct 27;143(42):17761-17768. doi: 10.1021/jacs.1c08649. PubMed PMID: 34637287. method MX · beamline 5.0.2
  114. Viswanathan, T., et al., 2021 Nov. Functional and structural characterization of AntR, an Sb(III) responsive transcriptional repressor. Mol. Microbiol. doi:10.1111/mmi.14721 PMID: 33786926, PMCID: PMC8862607. method MX · beamline 8.2.2 · non-biomedical
  115. Bagde SR, Mathews II, Fromme JC, Kim CY. Modular polyketide synthase contains two reaction chambers that operate asynchronously. Science. 2021 Nov 5;374(6568):723-729. doi: 10.1126/science.abi8532. PubMed PMID: 34735234; PubMed Central PMCID: PMC8689591. method MX · beamline 5.0.2 · non-biomedical
  116. 121. Patterson JR, Graves AP, Stoy P, Cheung M, Desai TA, Fries H, et al. Identification of Diarylurea Inhibitors of the Cardiac-Specific Kinase TNNI3K by Designing Selectivity Against VEGFR2, p38α, and B-Raf. J Med Chem. 2021 Nov 11;64(21):15651-15670. doi: 10.1021/acs.jmedchem.1c00700. PubMed PMID: 34699203. method MX · beamline 5.0.3
  117. Liang WC, Yin J, Lupardus P, Zhang J, Loyet KM, Sudhamsu J, et al. Dramatic activation of an antibody by a single amino acid change in framework. Sci Rep. 2021 Nov 16;11(1):22365. doi: 10.1038/s41598-021-01530-w. PubMed PMID: 34785671; PubMed Central PMCID: PMC8595303. method MX · beamline 5.0.2
  118. Gebert LFR, Law M, MacRae IJ. A structured RNA motif locks Argonaute2:miR-122 onto the 5′ end of the HCV genome. Nat Commun. 2021 Nov 25;12(1):6836. doi: 10.1038/s41467-021-27177-9. PubMed PMID: 34824224; PubMed Central PMCID: PMC8616905. method MX · beamline 5.0.2
  119. Hobbs HT, Shah NH, Badroos JM, Gee CL, Marqusee S, Kuriyan J. Differences in the dynamics of the tandem-SH2 modules of the Syk and ZAP-70 tyrosine kinases. Protein Sci. 2021 Dec;30(12):2373-2384. doi: 10.1002/pro.4199. PubMed PMID: 34601763; PubMed Central PMCID: PMC8605373. method MX · beamline 8.2.2
  120. Radhakrishnan M, Packianathan C, Sankaran B, Kandavelu P, Rosen BP. Purification, Crystallization, and Preliminary Crystallographic Studies of Human As(III) S-Adenosylmethionine Methyltransferase (hAS3MT). Crystallogr Rep. 2021 Dec;66(7):1311-1315. doi: 10.1134/s1063774521070129. PubMed PMID: 35221644; PubMed Central PMCID: PMC8879404. method MX · beamline 8.2.1, 8.2.2 · staff author: Banumathi Sankaran
  121. Appling FD, Berlow RB, Stanfield RL, Dyson HJ, Wright PE. The molecular basis of allostery in a facilitated dissociation process. Structure. 2021 Dec 2;29(12):1327-1338.e5. doi: 10.1016/j.str.2021.07.011. PubMed PMID: 34520739; PubMed Central PMCID: PMC8642270. method MX · beamline 5.0.1, 5.0.3
  122. Shi H, Kimsey IJ, Gu S, Liu HF, Pham U, Schumacher MA, et al. Revealing A-T and G-C Hoogsteen base pairs in stressed protein-bound duplex DNA. Nucleic Acids Res. 2021 Dec 2;49(21):12540-12555. doi: 10.1093/nar/gkab936. PubMed PMID: 34792150; PubMed Central PMCID: PMC8643651. method MX · beamline 5.0.2
  123. Choi SH, Jeon B, Kim N, Wu HH, Ko TP, Ruszczycky MW, et al. Evidence for an Enzyme-Catalyzed Rauhut-Currier Reaction during the Biosynthesis of Spinosyn A. J Am Chem Soc. 2021 Dec 8;143(48):20291-20295. doi: 10.1021/jacs.1c09482. PubMed PMID: 34813308; PubMed Central PMCID: PMC8665079. method MX · beamline 5.0.1
  124. Mathison CJN, Yang Y, Nelson J, Huang Z, Jiang J, Chianelli D, et al. Antitarget Selectivity and Tolerability of Novel Pyrrolo[2,3-d]pyrimidine RET Inhibitors. ACS Med Chem Lett. 2021 Dec 9;12(12):1912-1919. doi: 10.1021/acsmedchemlett.1c00450. PubMed PMID: 34917254; PubMed Central PMCID: PMC8667305. method MX · beamline 5.0.3
  125. Taylor DM, Anglin J, Hu L, Wang L, Sankaran B, Wang J, et al. Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48. ACS Infect Dis. 2021 Dec 10;7(12):3345-3354. doi: 10.1021/acsinfecdis.1c00501. PubMed PMID: 34817169; PubMed Central PMCID: PMC9677231. method MX · beamline 8.2.1, 8.2.2 · staff author: Banumathi Sankaran
  126. Estes B, Sudom A, Gong D, Whittington DA, Li V, Mohr C, et al. Next generation Fc scaffold for multispecific antibodies. iScience. 2021 Dec 17;24(12):103447. doi: 10.1016/j.isci.2021.103447. PubMed PMID: 34877503; PubMed Central PMCID: PMC8633962. method MX · beamline 5.0.2
  127. A. Scholl,D. Parkinson,R. Koch, L. Tamura. Advanced Light Source Operation and Critical Research during the COVID-19 Pandemic. Synchrotron Radiation News. PMID not assigned; doi: 10.1080/08940886.2021.1906061. [also TOC3] method MX · beamline 5.0.2, 8.3.1

TOC2 — High Quality and High Throughput SAXS (36)

  1. Ben-Sasson AJ, et al., 2021 Jan. Design of biologically active binary protein 2D materials. Nature 589(7842):468-473. doi:10.1038/s41586-020-03120-8 PMID: 33408408; PMCID: PMC7855610 method SAXS · beamline 12.3.1
  2. Gunn KH, et al., 2021 Jan. Comparison of angiopoietin-like protein 3 and 4 reveals structural and mechanistic similarities. J. Biol. Chem. 296:100312. doi:10.1016/j.jbc.2021.100312 PMID: 33482195; PMCID: PMC7949051 method SAXS · beamline 12.3.1
  3. Eckenroth BE, Cao VB, Averill AM, Dragon JA, Doublié S. Unique Structural Features of Mammalian NEIL2 DNA Glycosylase Prime Its Activity for Diverse DNA Substrates and Environments. Structure. 2021 Jan 7;29(1):29-42.e4. doi: 10.1016/j.str.2020.08.001. PubMed PMID: 32846144; PubMed Central PMCID: PMC7796977. method SAXS · beamline 12.3.1
  4. Yu D, et al., 2021 Jan 8. Enzymatic characterization of three human RNA adenosine methyltransferases reveals diverse substrate affinities and reaction optima. J. Biol. Chem. 296:100270. doi:10.1016/j.jbc.2021.100270 PMID: 33428944; PMCID: PMC7948815 method SAXS · beamline 12.3.1
  5. Hammel M, et al., 2021 Jan 11. An atypical BRCT-BRCT interaction with the XRCC1 scaffold protein compacts human DNA Ligase IIIα within a flexible DNA repair complex. Nucleic Acids Res. 49(1):306-321. doi:10.1093/nar/gkaa1188 PMID: 33330937 PMCID: PMC7797052 method SAXS · beamline 12.3.1 · staff author: Michal Hammel
  6. Walker RG, et al., 2021 Feb. Heparin-mediated dimerization of follistatin. Exp. Biol. Med. (Maywood) 246(4):467-482. doi:10.1177/1535370220966296 PMID: 33197333 method SAXS · beamline 12.3.1
  7. Lapenta F, et al., 2021 Feb 11. Self-assembly and regulation of protein cages from pre-organised coiled-coil modules. Nat. Commun. 12(1):939. doi:10.1038/s41467-021-21184-6 PMID: 33574245; PMCID: PMC7878516 method SAXS · beamline 12.3.1
  8. Chen Q, Zhuo Y, Sharma P, Perez I, Francis DJ, Chakravarthy S, et al. An Eight Amino Acid Segment Controls Oligomerization and Preferred Conformation of the two Non-visual Arrestins. J Mol Biol. 2021 Feb 19;433(4):166790. doi: 10.1016/j.jmb.2020.166790. PubMed PMID: 33387531; PubMed Central PMCID: PMC7870585. method MX; SAXS · beamline 12.3.1
  9. Wang X, et al., 2021 Mar. Efficient production of oxidized terpenoids via engineering fusion proteins of terpene synthase and cytochrome P450. Metab. Eng. 64:41-51. doi:10.1016/j.ymben.2021.01.004 PMID: 33482331; PMCID: PMC7987753 method SAXS · beamline 12.3.1 · non-biomedical
  10. McConnell SA, et al., 2021 Mar 23. Sortase-assembled pili in Corynebacterium diphtheriae are built using a latch mechanism. Proc Natl Acad Sci USA 118(12). doi:10.1073/pnas.2019649118 PMID: 33723052; PMCID: PMC7999877 method SAXS · beamline 12.3.1
  11. Divine R, Dang HV, Ueda G, Fallas JA, Vulovic I, Sheffler W, et al. Designed proteins assemble antibodies into modular nanocages. Science. 2021 Apr 2;372(6537). doi: 10.1126/science.abd9994. PubMed PMID: 33795432; PubMed Central PMCID: PMC8592034. method SAXS · beamline 12.3.1
  12. Harper, C.C., et al., 2021 May. Direct observation of ion emission from charged aqueous nanodrops: effects on gaseous macromolecular charging. Chem. Sci. 12, 5185–5195. doi:10.1039/D0SC05707J PMID: 34168773 PMCID: PMC8179642 method SAXS · beamline 12.3.1 · non-biomedical
  13. Hammel M, et al., 2021 May 30. X-ray scattering reveals disordered ers and dynamic interfaces in complexes and mechanisms for DNA double-strand break repair impacting cell and cancer biology. Protein Sci. doi:10.1002/pro.4133 PMID: 34056803; PMCID: PMC8376411 method SAXS · beamline 12.3.1 · staff author: Michal Hammel
  14. Toyama, Y., et al., 2021 Jun. Oligomeric assembly regulating mitochondrial HtrA2 function as examined by methyl-TROSY NMR. Proc Natl Acad Sci USA 118. doi:10.1073/pnas.2025022118 PMID: 33692127; PMCID: PMC7980377 method SAXS · beamline 12.3.1
  15. Vulovic I, Yao Q, Park YJ, Courbet A, Norris A, Busch F, et al. Generation of ordered protein assemblies using rigid three-body fusion. Proc Natl Acad Sci U S A. 2021 Jun 8;118(23). doi: 10.1073/pnas.2015037118. PubMed PMID: 34074752; PubMed Central PMCID: PMC8201882. method SAXS · beamline 12.3.1
  16. Paar M, et al., 2021 Jun 14. Albumin in patients with liver disease shows an altered conformation. Commun Biol. 4(1):731. doi:10.1038/s42003-021-02269-w PMID: 34127764; PMCID: PMC8203801 method SAXS · beamline 12.3.1
  17. Leite WC, et al., 2021 Jun 17. Conformational Dynamics in the Interaction of SARS-CoV-2 Papain-like Protease with Human Interferon-Stimulated Gene 15 Protein. J. Phys. Chem. Lett. 12(23):5608-5615. doi:10.1021/acs.jpclett.1c00831 PMID: 34110168 method SAXS · beamline 12.3.1
  18. Wilamowski M, et al., 2021 Jun 29. Transient and stabilized complexes of Nsp7, Nsp8, and Nsp12 in SARS-CoV-2 replication. Biophys. J. doi:10.1016/j.bpj.2021.06.006 PMID: 34197805; PMCID: PMC8238635 method SAXS · beamline 12.3.1
  19. Hambarde S, et al., 2021 Jul 15. EXO5-DNA structure and BLM interactions direct DNA resection critical for ATR-dependent replication restart. Mol. Cell 81(14):2989-3006.e9. doi:10.1016/j.molcel.2021.05.027 PMID: 34197737; PMCID: PMC8720176 method SAXS · beamline 12.3.1
  20. Gupta K, et al., 2021 Jul 21. Assembly of higher-order SMN oligomers is essential for metazoan viability and requires an exposed structural motif present in the YG zipper dimer. Nucleic Acids Res. 49(13):7644-7664. doi:10.1093/nar/gkab508 PMID: 34181727; PMCID: PMC8287954 method SAXS · beamline 12.3.1
  21. Wilson DM, et al., 2021 Aug. Fragment- and structure-based drug discovery for developing therapeutic agents targeting the DNA Damage Response. Prog. Biophys. Mol. Biol. 163:130-142. doi:10.1016/j.pbiomolbio.2020.10.005 PMID: 33115610; PMCID: PMC8666131 method SAXS · beamline 12.3.1
  22. Hammel M, Rosenberg DJ, Bierma J, Hura GL, Thapar R, Lees-Miller SP, et al. Visualizing functional dynamicity in the DNA-dependent protein kinase holoenzyme DNA-PK complex by integrating SAXS with cryo-EM. Prog Biophys Mol Biol. 2021 Aug;163:74-86. doi: 10.1016/j.pbiomolbio.2020.09.003. PubMed PMID: 32966823; PubMed Central PMCID: PMC8896507. method MX; SAXS · beamline 12.3.1 · staff author: Gregory L. Hura; Michal Hammel; John A. Tainer
  23. Lees-Miller JP, et al., 2021 Aug. Uncovering DNA-PKcs ancient phylogeny, unique sequence motifs and insights for human disease. Prog. Biophys. Mol. Biol. 163:87-108. doi:10.1016/j.pbiomolbio.2020.09.010 PMID: 33035590; PMCID: PMC8021618 method SAXS · beamline 12.3.1
  24. Jacoby G, Segal Asher M, Ehm T, Abutbul Ionita I, Shinar H, Azoulay-Ginsburg S, et al. Order from Disorder with Intrinsically Disordered Peptide Amphiphiles. J Am Chem Soc. 2021 Aug 4;143(30):11879-11888. doi: 10.1021/jacs.1c06133. PubMed PMID: 34310121; PubMed Central PMCID: PMC8397319. method SAXS · beamline 12.3.1 · non-biomedical
  25. Tscheliessnig R, et al., 2021 Sep. Crystalline S-Layer Portein Monolayers Induce Water Turbulences on the Nanometer Scale. Crystals 11(9):1147. doi:10.3390/cryst11091147. No PMID. method SAXS · beamline 12.3.1 · non-biomedical
  26. Stachowski TR, et al., 2021 Sep 1. A SAXS-based approach to rationally evaluate radical scavengers – toward eliminating radiation damage in solution and crystallographic studies. J. Synchrotron Radiat. 28(Pt 5):1309-1320. doi:10.1107/S1600577521004045 PMID: 34475280 PMCID: PMC8415334 method SAXS · beamline 12.3.1
  27. Woodall NB, Weinberg Z, Park J, Busch F, Johnson RS, Feldbauer MJ, et al. De novo design of tyrosine and serine kinase-driven protein switches. Nat Struct Mol Biol. 2021 Sep;28(9):762-770. doi: 10.1038/s41594-021-00649-8. PubMed PMID: 34518698; PubMed Central PMCID: PMC8601088. method SAXS · beamline 12.3.1
  28. Maben Z, Arya R, Georgiadis D, Stratikos E, Stern LJ. Conformational dynamics linked to domain closure and substrate binding explain the ERAP1 allosteric regulation mechanism. Nat Commun. 2021 Sep 6;12(1):5302. doi: 10.1038/s41467-021-25564-w. PubMed PMID: 34489420; PubMed Central PMCID: PMC8421391. method SAXS · beamline 12.3.1
  29. Borowska MT, et al., 2021 Sep 28. The molecular characterization of antibody binding to a superantigen-like protein from a commensal microbe. Proc Natl Acad Sci USA 118(39). doi:10.1073/pnas.2023898118 PMID: 34548394; PMCID: PMC8488583 method SAXS · beamline 12.3.1
  30. Alexander LT, et al., 2021 Dec. Target highlights in CASP14: Analysis of models by structure providers. Proteins 89(12):1647-1672. doi:10.1002/prot.26247 PMID: 34561912; PMCID: PMC8616854 method SAXS · beamline 12.3.1
  31. Garrigues RJ, et al., 2021 Dec 1. A Structural Basis for Inhibition of the Complement Initiator Protease C1r by Lyme Disease Spirochetes. J. Immunol. 207(11):2856-2867. doi:10.4049/jimmunol.2100815 PMID: 34759015; PMCID: PMC8612984 method SAXS · beamline 12.3.1
  32. Yang B, et al., 2021 Dec 6. Self-Assembly of a Bilayer 2D Supramolecular Organic Framework in Water. Angew. Chem. Int. Ed. Engl. 60(50):26268-26275. doi:10.1002/anie.202111425 PMID: 34562051 method SAXS · beamline 12.3.1 · non-biomedical
  33. Stevenson J, Ngo M, Brandt A, Weadge JT, Suits MDL. Analysis of Two SusE-Like Enzymes From Bacteroides thetaiotaomicron Reveals a Potential Degradative Capacity for This Protein Family. Front Microbiol. 2021;12:645765. doi: 10.3389/fmicb.2021.645765. PubMed PMID: 34149636; PubMed Central PMCID: PMC8211771. Method SAXS · beamline 12.3.1
  34. Moiani D, et al., 2021. An efficient chemical screening method for structure-based inhibitors to nucleic acid enzymes targeting the DNA repair-replication interface and SARS CoV-2. Methods Enzymol. 661:407- 431. doi:10.1016/bs.mie.2021.09.003 PMID: 34776222; PMCID: PMC8474023 method SAXS · beamline 12.3.1
  35. Schriber EA, et al., 2021. Investigation of Nucleation and Growth at a Liquid-Liquid Interface by Solvent Exchange and Synchrotron Small-Angle X-Ray Scattering. Front. Chem. 9:593637. doi:10.3389/fchem.2021.593637 PMID: 34354977; PMCID: PMC8329353 method SAXS · beamline 12.3.1 · non-biomedical
  36. Hodge CD, et al., 2021. Rigid monoclonal antibodies improve detection of SARS-CoV-2 nucleocapsid protein. mAbs 13(1):1905978. doi:10.1080/19420862.2021.1905978 PMID: 33843452; PMCID: PMC8043170 method SAXS · beamline 12.3.1

TOC3 — Flexible Macromolecular Crystallography (MX) (32)

  1. Travis BA, et al. Structural Basis for Virulence Activation of Francisella tularensis. Mol Cell. 2021 Jan 7. doi: 10.1016/j.molcel.2020.10.035. PMID: 33217319; PMCID: PMC7959165. method MX · beamline 8.3.1
  2. Kang, W., et al., 2021 Feb. X-Ray Crystallographic Analysis of NifB with a Full Complement of Clusters: Structural Insights into the Radical SAM-Dependent Carbide Insertion During Nitrogenase Cofactor Assembly. Angew Chem Int Ed 60, 2364–2370. doi:10.1002/anie.202011367 PMID: 33035363; PMCID: PMC8410456 method MX · beamline 8.3.1 · non-biomedical
  3. Sevillano N, et al. Structure of an affinity-matured inhibitory recombinant fab against urokinase plasminogen activator reveals basis of potency and specificity. Biochim Biophys Acta Proteins Proteom. 2021 Feb 1. doi: 10.1016/j.bbapap.2020.140562. PMID: 33221341; PMCID: PMC7770097. [also TOC4] method MX · beamline 8.3.1
  4. Ma J, Cai B, Zhang S, Jian T, De Yoreo JJ, Chen CL, et al. Nanoparticle-Mediated Assembly of Peptoid Nanosheets Functionalized with Solid-Binding Proteins: Designing Heterostructures for Hierarchy. Nano Lett. 2021 Feb 24;21(4):1636-1642. doi: 10.1021/acs.nanolett.0c04285. PubMed PMID: 33555891. method MX · beamline 8.3.1 · non-biomedical
  5. Gee, C.L., et al., 2021 Apr. Structures of two novel crystal forms of Aspergillus oryzae alpha amylase (taka-amylase). J. Biosci. Bioeng. doi:10.1016/j.jbiosc.2021.02.008 PMID: 33814275; PMCID: PMC8187280 method MX · beamline 8.3.1 · non-biomedical
  6. Vecchio AJ, et al. Structural basis for Clostridium perfringens enterotoxin targeting of claudins at tight junctions in mammalian gut. Proc Natl Acad Sci U S A. 2021 Apr 13. doi: 10.1073/pnas.2024651118. PMID: 33876770; PMCID: PMC8053971. method MX · beamline 8.3.1
  7. Beggs GA, Ayala JC, Kavanaugh LG, Read TD, Hooks GM, Schumacher MA, et al. Structures of Neisseria gonorrhoeae MtrR-operator complexes reveal molecular mechanisms of DNA recognition and antibiotic resistance-conferring clinical mutations. Nucleic Acids Res. 2021 Apr 19;49(7):4155-4170. doi: 10.1093/nar/gkab213. PubMed PMID: 33784401; PubMed Central PMCID: PMC8053128. [also TOC1] method MX · beamline 8.3.1
  8. Brilot AF, et al. CM1-driven assembly and activation of yeast γ-tubulin small complex underlies microtubule nucleation. Elife. 2021 May 5. doi: 10.7554/eLife.65168. PMID: 33949948; PMCID: PMC8099430. method MX · beamline 8.3.1 · non-biomedical
  9. Wang M, et al. Programmable two-dimensional nanocrystals assembled from POSS-containing peptoids as efficient artificial light-harvesting systems. Sci Adv. 2021 May 14. doi: 10.1126/sciadv.abg1448. PMID: 33990330; PMCID: PMC8121420. method MX · beamline 8.3.1 · non-biomedical
  10. Dai J, et al. Protein-Embedded Metalloporphyrin Arrays Templated by Circularly Permuted Tobacco Mosaic Virus Coat Proteins. ACS Nano. 2021 May 25. doi: 10.1021/acsnano.0c07165. PMID: 33285072; PMCID: PMC13173553. method MX · beamline 8.3.1 · non-biomedical
  11. Brambley CA, et al. Sphingomonas sp. KT-1 PahZ2 Structure Reveals a Role for Conformational Dynamics in Peptide Bond Hydrolysis. J Phys Chem B. 2021 Jun 10. doi: 10.1021/acs.jpcb.1c01216. PMID: 34060838; PMCID: PMC8657308. method MX · beamline 8.3.1 · non-biomedical
  12. Sands NA, et al. Two human antibodies to a meningococcal serogroup B vaccine antigen enhance binding of complement Factor H by stabilizing the Factor H binding site. PLoS Pathog. 2021 Jun 14. doi: 10.1371/journal.ppat.1009655. PMID: 34125873; PMCID: PMC8224966. method MX · beamline 8.3.1
  13. Ibrahim M, Moriarty NW, Kern J, Holton JM, Brewster AS, Bhowmick A, et al. Reply to Wang et al.: Clear evidence of binding of Ox to the oxygen-evolving complex of photosystem II is best observed in the omit map. Proc Natl Acad Sci U S A. 2021 Jun 15;118(24). doi: 10.1073/pnas.2102342118. PubMed PMID: 34117122; PubMed Central PMCID: PMC8214684. method MX · beamline 8.3.1 · staff author: Paul D. Adams, James Holton · non-biomedical
  14. Kozlyuk N, Gilston BA, Salay LE, Gogliotti RD, Christov PP, Kim K, Ovee M, Waterson AG, Chazin WJ. A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors. Proteins. 2021 Jul 2;89(11):1399-1412. doi: 10.1002/prot.26162. PMID: 34156100; PMCID: PMC8492516. method MX · beamline 8.3.1
  15. Didychuk, A.L., et al., 2021 Jul. A pentameric protein ring with novel architecture is required for herpesviral packaging. elife 10. doi:10.7554/eLife.62261 PMID: 33554858, PMCID: PMC7889075 method MX · beamline 8.3.1
  16. Hammons JA, Baer MD, Jian T, Lee JRI, Weiss TM, De Yoreo JJ, et al. Early-Stage Aggregation and Crystalline Interactions of Peptoid Nanomembranes. J Phys Chem Lett. 2021 Jul 8;12(26):6126-6133. doi: 10.1021/acs.jpclett.1c01033. PubMed PMID: 34181429. method MX · beamline 8.3.1 · non-biomedical
  17. Brennan RG, et al., 2021 Jul 27. Evolution of a œÉ-(c-di-GMP)-anti-œÉ switch. Proc Natl Acad Sci U S A. 118(30):e2105447118. doi: 10.1073/pnas.2105447118. PMID: 34290147; PMCID: PMC8325347 method MX · beamline 8.3.1 · non-biomedical
  18. Leurs U, et al. GHB analogs confer neuroprotection through specific interaction with the CaMKIIα hub domain. Proc Natl Acad Sci U S A. 2021 Aug 3. doi: 10.1073/pnas.2108079118. PMID: 34330837; PMCID: PMC8346900. method MX · beamline 8.3.1
  19. Thomaston JL, et al. Rimantadine Binds to and Inhibits the Influenza A M2 Proton Channel without Enantiomeric Specificity. Biochemistry. 2021 Aug 3. doi: 10.1021/acs.biochem.1c00437. PMID: 34342217; PMCID: PMC8810914. method MX · beamline 8.3.1
  20. Agnew C, et al. Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization. Nat Commun. 2021 Aug 16. doi: 10.1038/s41467-021-25248-5. PMID: 34400635; PMCID: PMC8368100. method MX · beamline 8.3.1
  21. Rutbeek NR, et al. Molecular mechanism of quorum sensing inhibition in Streptococcus by the phage protein paratox. J Biol Chem. 2021 Sep 1. doi: 10.1016/j.jbc.2021.100992. PMID: 34298018; PMCID: PMC8383118. method MX · beamline 8.3.1
  22. Aleshin AE, et al. Structural basis for the association of PLEKHA7 with membrane-embedded phosphatidylinositol lipids. Structure. 2021 Sep 2. doi: 10.1016/j.str.2021.03.018. PMID: 33878292; PMCID: PMC8419008. method MX · beamline 8.3.1
  23. Kamenik AS, et al. Energy penalties enhance flexible receptor docking in a model cavity. Proc Natl Acad Sci U S A. 2021 Sep 7. doi: 10.1073/pnas.2106195118. PMID: 34475217; PMCID: PMC8433570. method MX · beamline 8.3.1 · non-biomedical
  24. Rietmeijer RA, Sorum B, Li B, Brohawn SG. Physical basis for distinct basal and mechanically gated activity of the human K(+) channel TRAAK. Neuron. 2021 Sep 15;109(18):2902-2913.e4. doi: 10.1016/j.neuron.2021.07.009. PubMed PMID: 34390650; PubMed Central PMCID: PMC8448962. method MX · beamline 8.3.1
  25. Schuller, M., et al., 2021 Oct. Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci. Adv. 7. doi:10.1126/sciadv.abf8711 PMID: 33853786, PMCID: PMC8046379 method MX · beamline 8.3.1
  26. Scott, A.J., et al., 2021 Nov. Constructing ion channels from water-soluble α-helical barrels. Nat. Chem. doi:10.1038/s41557-021-00688-0 PMID: 33972753; PMCID: PMC7611114 method MX · beamline 8.3.1
  27. Hussein R, Ibrahim M, Bhowmick A, Simon PS, Chatterjee R, Lassalle L, et al. Structural dynamics in the water and proton channels of photosystem II during the S(2) to S(3) transition. Nat Commun. 2021 Nov 11;12(1):6531. doi: 10.1038/s41467-021-26781-z. PubMed PMID: 34764256; PubMed Central PMCID: PMC8585918. [also TOC1] method MX · beamline 5.0.1, 5.0.2, 5.01, 8.2.1, 8.3.1 · staff author: James M. Holton; Paul D. Adams · non-biomedical
  28. Fransson T, Alonso-Mori R, Chatterjee R, Cheah MH, Ibrahim M, Hussein R, Zhang M, Fuller F, Gul S, Kim IS, Simon PS, Bogacz I, Makita H, de Lichtenberg C, Song S, Batyuk A, Sokaras D, Massad R, Doyle M, Britz A, Weninger C, Zouni A, Messinger J, Yachandra VK, Yano J, Kern J, Bergmann U. Effects of x-ray free-electron laser pulse intensity on the Mn Kβ1,3 x-ray emission spectrum in photosystem II—A case study for metalloprotein crystals and solutions. Struct Dyn. 2021 Nov 22;8(6):064302. doi: 10.1063/4.0000130. PMID: 34849380; PMCID: PMC8610604. method MX · beamline 8.3.1 · non- biomedical
  29. McPherson A. Structures of additional crystal forms of Satellite tobacco mosaic virus grown from a variety of salts. Acta Crystallogr F Struct Biol Commun. 2021 Dec 1;77(Pt 12):473-483. doi: 10.1107/S2053230X21011547. PubMed PMID: 34866603; PubMed Central PMCID: PMC8647216. method MX · beamline 8.3.1 · non-biomedical
  30. Hongjun Dong, Michelle C.Y. Chang. Structural Basis for Branched Substrate Selectivity in a Ketoreductase from Ascaris suum. ACS Catalysis. PMID not assigned; doi: 10.1021/acscatal.1c01642. method MX · beamline 8.3.1
  31. Yang Song, Ming-Ming Wang, Chun-Long Chen, et al.. Highly Bright and Photostable Two-Dimensional Nanomaterials Assembled from Sequence-Defined Peptoids. ACS Materials Letters. PMID not assigned; doi: 10.1021/acsmaterialslett.1c00110. method MX · beamline 8.3.1 · non-biomedical
  32. Cai X, Wang M, Mu P, Jian T, Liu D, Ding S, et al. Sequence-Defined Nanotubes Assembled from IR780-Conjugated Peptoids for Chemophototherapy of Malignant Glioma. Research (Wash D C). 2021;2021:9861384. doi: 10.34133/2021/9861384. PubMed PMID: 34104892; PubMed Central PMCID: PMC8147695. method MX · beamline 8.3.1

TOC4 — High-Throughput X-Ray Mass Spectrometry (XFMS) (1)

  1. Line G Kristensen, James M Holton, Behzad Rad, Yan Chen, Christopher J Petzold, Sayan Gupta, Corie Y Ralston. Hydroxyl radical mediated damage of proteins in low oxygen solution investigated using X-ray footprinting mass spectrometry. J Synchrotron Radiat. 2021 Sep 1;28(Pt 5):1333-1342. doi: 10.1107/S1600577521004744. PMID: 34475282 PMCID: PMC8415330 [also TOC3] method: XFMS · beamline 3.3.1 · staff author: Corie Ralston, Sayan Gupta

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