current research


1bbl 1hry 1ihv

2014 – 2016

450. Mitra M, Hercík K, Byeon IJ, Ahn J, Hill S, Hinchee-Rodriguez K, Singer D, Byeon CH, Charlton LM, Nam G, Heidecker G, Gronenborn AM, Levin JG. Structural determinants of human APOBEC3A enzymatic and nucleic acid binding properties.  Nucleic Acids Res 42(2):1095-110 (2014).  PMC3902935

451. Jung J, Byeon IJ, Delucia M, Koharudin LM, Ahn J, Gronenborn AM. Binding of HIV-1 Vpr to the human homolog of the yeast DNA repair protein RAD23 (hHR23A) requires its XPC binding (XPCB) as well as the ubiquitin associated 2 (UBA2) domains. J Biol Chem 289(5):2577-88 (2014).  PMC3908392

452. Debiec KT, Gronenborn AM, Chong LT. Evaluating the strength of salt bridges – A comparison of current biomolecular force fields. J Phys Chem B 118(24):6561-9 (2014). PMC4064690

453. Sharaf NG, Poliner E, Slack RL, Christen MT, Byeon IJ, Parniak MA, Gronenborn AM, Ishima R.The p66 immature precursor of HIV-1 reverse transcriptase. Proteins 82(10):2343-52 (2014). PMC4441793

454. Qin J, Gronenborn AM. Weak protein complexes: challenging to study but essential for life. FEBS J 281(8):1948-9 (2014).

455. Férir G, Huskens D, Noppen S, Koharudin LM, Gronenborn AM, Schols D. Broad anti-HIV activity of the Oscillatoria agardhii agglutinin homologue lectin family. J Antimicrob Chemother 69(10):2746-58 (2014). PMC4164143

456. Koharudin LM, Gronenborn AM. Antiviral lectins as potential HIV microbicides. Curr Opin Virol 7:95-100 (2014). PMC4149946

457. Koharudin LM, Wu Y, DeLucia M, Mehrens J, Gronenborn AM, Ahn J.Structural basis of allosteric activation of sterile α motif and histidine-aspartate domain-containing protein 1 (SAMHD1) by nucleoside triphosphates. J Biol Chem 289(47):32617-27  (2014). PMC4239615

458. Hritz J, Byeon IJ, Krzysiak T, Martinez A, Sklenar V, Gronenborn AM. Dissection of binding between a phosphorylated tyrosine hydroxylase peptide and 14-3-3ζ: A complex story elucidated by NMR.  Biophys J 107(9):2185-94 (2014). PMC4223184

459. Mitra M, Singer D, Mano Y, Hritz J, Nam G, Gorelick RJ, Byeon IJ, Gronenborn AM, Iwatani Y, Levin JG. Sequence and structural determinants of human APOBEC3H deaminase and anti-HIV-1 activities. Retrovirology 12(1):3 (2015). PMC4323217

460. Carneiro MG, Koharudin LM, Griesinger C, Gronenborn AM, Lee D. (1)H, (13)C and (15)N resonance assignment of the anti-HIV lectin from Oscillatoria agardhii. Biomol NMR Assign 9(2):317-9 (2015).  PMC4537409

461. Carneiro MG, Koharudin LM, Ban D, Sabo TM, Trigo-Mourino P, Mazur A, Griesinger C, Gronenborn AM, Lee D. Sampling of Glycan-Bound Conformers by the Anti-HIV Lectin Oscillatoria agardhii agglutinin in the Absence of Sugar. Angew Chem Int Ed Engl 54(22):6462-5 (2015). PMC4480366

462. Koharudin LM, Debiec KT, Gronenborn AM. Structural insight into fungal cell wall recognition by a CVNH protein with a single LysM domain. Structure 23(11):2143-54 (2015).  PMC4635050

463. Lu M, Hou G, Zhang H, Suiter CL, Ahn J, Byeon IJ, Perilla JR, Langmead CJ, Hung I, Gor’kov PL, Gan Z, Brey W, Aiken C, Zhang P, Schulten K, Gronenborn AM, Polenova T. Dynamic allostery governs cyclophilin A-HIV capsid interplay. Proc Natl Acad Sci U S A 112(47):14617-22 (2015). PMC4664340

464. Sharaf NG and Gronenborn AM. (2015) (19)F-modified proteins and (19)F-containing ligands as tools in solution NMR studies of protein interactions. Methods Enzymol 565:67-95. PMC4715678

Wu, Y, Koharudin, LM, Mehrens, J, DeLucia, M, Byeon, CH, Byeon, IJ, Calero, G, Ahn, J, Gronenborn, AM. (2015) Structural basis of clade-specific engagement of SAMHD1 restriction factors by lentiviral Vpx virulence factors. J. Biol. Chem. 290(29):17935-45. PMC4505041.

465. Gupta R, Lu M, Hou G, Caporini MA, Rosay M, Maas W, Struppe J, Suiter C, Ahn J, Byeon IJ, Franks WT, Orwick-Rydmark M, Bertarello A, Oschkinat H, Lesage A, Pintacuda G, Gronenborn AM, Polenova T. (2016) Dynamic nuclear polarization enhanced MAS NMR spectroscopy for structural analysis of HIV-1 protein assemblies .  J Phys Chem B 120(2):329-39. PMID: 26709853

466. Liu X, Hillwig ML, Koharudin LM, Gronenborn AM. (2016) Unified biogenesis of ambiguine, fischerindole, hapalindole and welwitindolinone: identification of a monogeranylated indolenine as a cryptic common biosynthetic intermediate by an unusual magnesium-dependent aromatic prenyltransferase. Chem Commun (Camb) 52(8):1737-40. PMC4720564

467. Matei E, Gronenborn AM. (2016) Frontispiece: (19) F Paramagnetic relaxation enhancement: A valuable tool for distance measurements in proteins. Angew Chem Int Ed Engl 55(1) PMC4715678

468. Liu C, Perilla JR, Ning J, Lu M, Hou G, Ramalho R, Himes BA, Zhao G, Bedwell GJ, Byeon IJ, Ahn J, Gronenborn AM, Prevelige PE, Rousso I, Aiken C, Polenova T, Schulten K, Zhang P. Cyclophilin A stabilizes the HIV-1 capsid through a novel non-canonical binding site. Nat Commun. 7:10714 (2016). PMC4785225

469. Krzysiak TC, Chen BB, Lear T, Mallampalli RK, Gronenborn AM. (2016) Crystal structure and interaction studies of the human FBxo3 ApaG domain. FEBS J. 283(11):2091-101. PMC5065005

470. Perilla JR, Gronenborn AM. (2016) Molecular architecture of the retroviral capsid. Trends Biochem Sci. 41(5):410-420.  PMC4879823

471. Stevenson HP, Lin G, Barnes CO, Sutkeviciute I, Krzysiak T, Weiss SC, Reynolds S, Wu Y, Nagarajan V, Makhov AM, Lawrence R, Lamm E, Clark L, Gardella TJ, Hogue BG, Ogata CM, Ahn J, Gronenborn AM, Conway JF, Vilardaga JP, Cohen AE, Calero G. (2016) Transmission electron microscopy for the evaluation and optimization of crystal growth. Acta Crystallogr D Struct Biol. 72(Pt 5):603-15. PMC4854312

472. Sharaf NG, Ishima R, Gronenborn AM. (2016) Conformational plasticity of the NNRTI-binding pocket in HIV-1 reverse transcriptase – A fluorine NMR study. Biochemistry  55(28):3864-73. PMC4955860

473. Byeon IL, Byeon CH, Wu T, Mitra M, Singer D, Levin JG, Gronenborn AM. (2016) Nuclear Magnetic Resonance structure of the APOBEC3B catalytic domain: Structural basis for substrate binding and DNA deaminase activity. Biochemistry 55(21):2944-59. PMC4943463

474. Debiec KT, Cerutti DS, Baker LR, Gronenborn AM, Case DA, Chong LT. (2016) Further along the road less traveled: AMBER ff15ipq, an original protein force field built on a self-consistent physical model. J Chem Theory Comput. 12(8):3926-47. PMC4980686

475. Matei E, Basu R, Furey W, Shi J, Calnan C, Aiken C, Gronenborn AM. (2016) Structure and glycan binding of a new cyanovirin-N homolog. J Biol Chem. 291(36):18967-76. PMC5009269

476. Wu Y, Zhou X, Barnes CO, DeLucia M, Cohen AE, Gronenborn AM, Ahn J, Calero G. (2016) The DDB1-DCAF1-Vpr-UNG2 crystal structure reveals how HIV-1 Vpr steers human UNG2 toward destruction. Nat Struct Mol Biol. 23(10):933-940. PMC5385928

477. Zhang H, Hou G, Lu M, Ahn J, Byeon IL, Langmead CJ, Perilla JR, Hung I, Gor’kov PL, Gan Z, Brey WW, Case DA, Schulten K, Gronenborn AM, Polenova T. (2016) HIV-1 capsid function is regulated by dynamics: Quantitative atomic-resolution insights by integrating magic-angle-spinning NMR, QM/MM, and MD. J Am Chem Soc. 138, 42, 14066-14075.

478. Sharaf NG, Brereton AE, Byeon IL, Karplus PA, Gronenborn AM. (2016) NMR structure of the HIV-1 reverse transcriptase thumb subdomain. J Biomol NMR. 66(4):273-280.PMC5218889