Source: https://www.chess.cornell.edu/macchess/publications
Timestamp: 2019-04-23 00:37:27+00:00

Document:
Gorelik A., Illes K., and Nagar B. "Crystal structure of the mammalian lipopolysaccharide detoxifier". PNAS, USA, 115 (5), E896-E905, 2018, Instrument: G1.
Huang Q., Stalnecker C., Zhang C., McDermott LA., Iyer P., O'Neill J., ReimerS., Cerione RA., and Katt WP. "Characterization of the interactions of potent allosteric inhibitors with glutaminase C, a key enzyme in cancer cell glutamine metabolism." J Biol Chem. 9;293(10):3535-3545, 2018.
Jenkins KA., Fossat MJ., Zhang S., Rai DK., Klein S., Gillilan R., White Z., Gerlich G., McCallum SA., Winter R., Gruner SM., Barrick D., and Royer KA. "The consequences of cavity creation on the folding landscape of a repeat protein depend upon context". PNAS 115, 8153-8161, 2018.
Kozlov G.,Wong K.,Wang W., Skubák P., Muñoz-Escobar J., Liu Y., Siddiqui N.,Pannu NS., Gehring K. "Ankyrin repeats as a dimerization module." Biochemical and Biophysical Research Communications, v 495, Issue 1, 1002-1007, 2018.
Kozlov G., Wong K., Gehring K. "Crystal structure of the Legionella effector Lem22". Proteins, 86:263-267, 2018.
Lan TY, Wierman JL, Tate MW, Philipp HT, Martin-Garcia JM, Zhu L, Kissick D, Fromme P, Fischetti RF, Liu W, Elser V, Gruner SM, "Solving protein structure from sparse serial microcrystal diffraction data at a storage-ring synchrotron source." IUCrJ, 5(Pt 5), 548-558, 2018.
Molodtsov V., Sineva E., Zhang L., Huang X., Cashel M., Ades SE., Murakami K.S. "Allosteric Effector ppGpp Potentiates the Inhibition of Transcript Initiation by DksA". Molecular Cell, V 69, 5, 828-839.e5, 2018, Instrument: F1.
Molodtsov, V., and Murakami, K.S. "Minimalism and functionality: Structural lessons from the heterodimeric N4 bacteriophageRNA polymerase II." J. Biol. Chem., 293, 13616-13625, 2018, Instrument: F1.
Mosaei H., Molodtsov V., Kepplinger B., Harbottle J., Moon CW., Jeeves RE., Ceccaroni L., Shin Y., Morton-LaingS., Marrs ECL., Wills C., Clegg W., Yuzenkova Y., Perry JD., Bacon J., ErringtonJ.,Allenby NEE., Hall MJ., Zenkin N. "Mode of Action of Kanglemycin A, an Ansamycin Natural Product that Is Active against Rifampicin-Resistant Mycobacterium tuberculosis." Molecular Cell, v. 72 (2), 263-274, 2018, Instrument F1.
Murray AB., Lomelino CL., Supuran CT,. McKenna R. ""Seriously Sweet": Acesulfame K Exhibits Selective Inhibition Using Alternative Binding Modes in Carbonic Anhydrase Isoforms". J. Med .Chem., 8;61(3), 1176-118, 2018.
Rai DK., Beaucage G., Vogtt K., Ilavsky J., Kammler HK. "In situ study of aggregate topology during growth of pyrolytic silica". J.Aerosol Science, v 118, 2018, 34-44, 2018.
O'Donnell JP., Byrnes LJ., Cooley RB. and SondermannH. "A hereditary spastic paraplegia–associated atlastin variant exhibits defective allosteric coupling in the catalytic core." J. Biol. Chem., 293(2) 687–700, 2018.
O’Donnell, J.P., March, H.M., Sondermann, H., and Sevier, C.S. "Disrupted hydrogen bond network and impaired ATPase activity in an Hsc70 cysteine mutant". Biochemistry, 57(7): 1073-1086, 2018.
Szebenyi DM., Kriksunov I., Howe KJ., Ramsey JS,. Hall DG., Heck ML., Krasnoff SB. "Crystal structure of diaphorin methanol monosolvate isolated from Diaphorina citri Kuwayama, the insect vector of citrus greening disease". Acta Crystallographica, E Crystallogr Commun. 74(Pt 4):445-449, 2018.
Xu J., Kozlov G., McPherson PS., and GehringK. "A PH-like domain of the Rab12 guanine nucleotide exchange factor DENND3 binds actin and is required for autophagy". J Biol Chem., 293(12): 4566–4574, 2018, Instrument A1.
Alamo L., Ware J.S., Pinto A., Gillilan R.E., Seidman J.G., Seidman C.E., Padrón R. "Effects of myosin variants on interacting-heads motif explain distinct hypertrophic and dilated cardiomyopathy phenotypes," Elife eLife 2017;6:e24634, 2017.
Bhatt A., Mahon B.P., Cruzeiro V.W., Cornelio B., Laronze-Cochard M., Ceruso M., Sapi J., Rance G., Khlobystov A.N., Fontana A., Roitberg A., Supuran C.T., McKenna R. "Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity," Chem Bio Chem 18(2), 213-222, 2017.
Bingaman J.L., Zhang S., Stevens D.R., Yennawar N.H., Hammes-Schiffer S., Bevilacqua P.C., "The GlcN6P cofactor plays multiple catalytic roles in the glmS ribozyme," Nature Chemical Biology 13(4), 439-445, 2017.
Cadoni R., Pala N, Lomelino C., Mahon BP., McKenna R., Dallocchio R., Dessì A., Carcelli M., Rogolino D., Sanna V., Rassu M., Iaccarino C., Vullo D., Supuran CT., and Sechi M. "Exploring Heteroaryl-pyrazole Carboxylic Acids as Human Carbonic Anhydrase XII Inhibitors." ACS Med. Chem. Lett. , 8 (9), 941–946, 2017.
Casu B., Arya T., Bessette B. and Baron C. "Fragment-based screening identifies novel targets for inhibitors of conjugative transfer of antimicrobial resistance by plasmid pKM101." Scientific Reports, v 7, Article number: 14907, 2017.
Comandur R., Olson E.D. and Musier-Forsyth K. "Conservation of tRNA mimicry in the 5'-untranslated region of distinct HIV-1 subtypes". Published by Cold Spring Harbor Laboratory Press for the RNA Society, RNA, 2017.
Das K., Martinez SE., Arnold E. "Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance". Antimicrobial Agents and Chemotherapy, v 61 Issue 6 e00224-17, 2017.
Gibbs E.B., Lu F., Portz B., Fisher M.J., Medellin B.P., Laremore T.N., Zhang Y.J., Gilmour D.S. & Showalter S.A. "Phosphorylation induces sequence-specific conformational switches in the RNA polymerase II C-terminal domain". Nature Communications 8, Article number: 15233, doi:10.1038/ncomms15233, 2017.
Glasser E., Agrawal AA., Jenkins JL. and KielkopfCL. "Cancer-associated mutations mapped on high resolution structures of the U2AF2 RNA recognition motifs." Biochemistry., 56(36): 4757–4761, Published online, 2017.
Gorelik A., Randriamihaja A., Illes K., Nagar B. "A key tyrosine substitution restricts nucleotide hydrolysis by the ectoenzyme NPP5". FEBS J., 284, 3718-3726, 2017.
Günther S., Deredge D., Bowers A.L., Luchini A., Bonsor D.A. Beadenkopf R., Liotta L., Wintrode P.L., Sundberg E.J. "Family Cytokines Use Distinct Molecular Mechanisms to Signal through Their Shared Co-receptor". Immunity, v. 47, 3, 510-523, e4, 2017.
Gupta K., Sharp R., Yuan J.B., Li H. and Van Duyne G.D. "Coiled-coil interactions mediate serine integrase directionality". Nucleic Acids Research, Vol. 45, No. 12, 7339–7353, 2017.
Hettle A., Fillo A., Abe K., Massel P., Pluvinage B., Langelaan D.N., Smith S.P. and Boraston A.B. "Properties of a family 56 carbohydrate-binding module and its role in the recognition and hydrolysis of ß-1,3-glucan". JBC, doi: 10.1074/jbc.M117.806711, 2017.
Hopkins. J.B., Gillilan, R.E., Skou, S. "BioXTAS RAW: improvements to a free open-source program for small-angle X-ray scattering data reduction and analysis." J. Appl. Cryst. , 50, 2017.
Jayanthi S, Koppolu B.P., Nguyen K.G., mith S.G., Felber B.K., Kumar T.K.S.& Zaharoff D.A. "Modulation of Interleukin-12 activity in the presence of heparin". Scientific Reports 7, Article number: 5360 doi:10.1038/s41598-017-05382-1, 2017.
Lan TY, Wierman JL, Tate MW, Philipp HT, Elser V, Gruner SM, "Reconstructing three-dimensional protein crystal intensities from sparse unoriented two-axis X-ray diffraction patterns", Journal of Applied Crystallography 50(4), 985-993 (2017).
Leamy K.A., Yennawar N.H., and Bevilacqua P.C. "Cooperative RNA Folding under Cellular Conditions Arises From Both Tertiary Structure Stabilization and Secondary Structure Destabilization". Biochemistry, 2017, 56 (27), 3422–3433, DOI: 10.1021/acs.biochem.7b00325, 2017.
Lemon D.J., Yang X., Srivastava P., Luk Y-Y. & Garza A.G."Polymertropism of rod-shaped bacteria: movement along aligned polysaccharide fibers". Scientific Reports 7, Article number: 7643, doi:10.1038/s41598-017-07486-0, 2017.
Lynch M.J., Levenson R., Kim E.A., Sircar R., Blair D.F., Dahlquist F.W., Crane B.R. "Co-Folding of a FliF-FliG Split Domain Forms the Basis of the MS:C Ring Interface within the Bacterial Flagellar MotorOriginal". Structure, v. 25, (2), 317-328, 2017.
Maffioli SA. Zhang Y., Degen D., Carzaniga T. Del Gatto G., Serina S., Monciardini P,. Mazzetti C., Guglierame P., Candiani G., Chiriac A.I., Facchetti G., Kaltofen P., Sah H-G., Dehò G., Donadio S., Ebright R.H. "Antibacterial "Nucleoside-Analog Inhibitor of Bacterial RNA Polymerase". Cell, V. 169, Issue 7, 1240-1248, e23, 2017.
Malhotra K., Modak A., Nangia S., Daman T.H., Gunse U., Robinson V.L., Mokranjac D., May E.R. and Alder N.N. "Cardiolipin mediates membrane and channel interactions of the mitochondrial TIM23 protein import complex receptor Tim50". Science Advances, Vol. 3, no. 9, e1700532, DOI: 10.1126/sciadv.1700532, 2017.
Mboge M.Y., Mahon B.P., Lamas N., Socorro L., Carta F., Supuran C.T., Frost S.C., McKenna R. "Structure activity study of carbonic anhydrase IX: Selective inhibition with ureido-substituted benzenesulfonamides". European Journal of Medicinal Chemistry, v. 132, 184-191, 2017.
Meisburger S.P., Ando N., "Correlated Motions from Crystallography beyond Diffraction," Accounts of Chemical Research 50(3), 580-583, 2017.
Molodtsov, V., Scharf, N.T., Stefan, M.A., Garcia, G.A. and Murakami, K.S. "Structural basis for rifamycin resistance of bacterial RNA polymerase by the three most clinically important RpoB mutations found in Mycobacterium tuberculosis". Molecular Microbiology. doi:10.1111/mmi.13606, 2017.
Muñoz-Escobar J., Matta-Camacho E., Cho C, Kozlov G., Gehring K. "Bound Waters Mediate Binding of Diverse Substrates to a Ubiquitin Ligase". Structure, v. 25, 5, 719–729, e3. 2017.
Nguyen K., Li J., Puthenveeti R., Lin X., Poe M.M., Hsiao C-H.C., Vinogradova O. and Wiemer A.J. "The butyrophilin 3A1 intracellular domain undergoes a conformational change involving the juxtamembrane region". FASEB J., doi: 10.1096/fj.201601370RR, 2017.
Nocentini A., Bua S., Lomelino CL., McKenna R., Menicatti M., Bartolucci G., Tenci B., Mannelli LDC., Ghelardini C., Gratteri P., and Supuran CT. "Discovery of New Sulfonamide Carbonic Anhydrase IX Inhibitors Incorporating Nitrogenous Bases". ACSMed.Chem.Lett., 8, 1314−1319, 2017.
Oudouhou F., Casu B., Puemi A.S.D., Sygusch J., Baron C., "Analysis of Novel Interactions between Components of the Selenocysteine Biosynthesis Pathway, SEPHS1, SEPHS2, SEPSECS, and SECp43," Biochemistry 56(17), 2261-2270, 2017.
Park W.M., Bedewy M., Berggren K.K. & Keating A.E. "Modular assembly of a protein nanotriangle using orthogonally interacting coiled coils". Scientific Reports 7, Article number: 10577 doi:10.1038/s41598-017-10918-6, 2017.
Park H-W, Ma Z., Zhu H., Jiang S., Robinson RC. and Endow SA. "Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein". Scientific Reports, v 7, Article number: 15121, 2017.
Plumridge A, Meisburger S.P, Andresen K, Pollack L, "The impact of base stacking on the conformations and electrostatics of single-stranded DNA," Nucleic Acids Research 45(7), 3932-3943 2017.
Plumridge A., Meisburger S.P., Pollack L., "Visualizing single-stranded nucleic acids in solution," Nucleic Acids Research 45(9), 2017.
Portz B., Lu F., Gibbs E.B., Mayfield J.E., Mehaffey M.R., Zhang Y.J., Brodbelt J.S., Showalter S.A. & Gilmour D.S. "Structural heterogeneity in the intrinsically disordered RNA polymerase II C-terminal domain". Nature Communications 8, Article number: 15231, doi:10.1038/ncomms15231, 2017.
Pudasaini A., Shim J.S., Song Y.H., Shi H., Kiba T., Somers D.E., Imaizumi T., and Zoltowski B.D. "Kinetics of the LOV domain of ZEITLUPE determine its circadian function in Arabidopsis". eLife, 6: e21646. 2017.
Roig-Solvas B., Makowski L. "Calculation of the cross-sectional shape of a fibril from equatorial scattering". Ths paper is written in celebration of the occasion of Donald L.D. Caspar’s 90th Birthday. Journal of Structural Biology, 2017.
Shek R., Dattmore DA., Stives DP., Jackson AL., Chatfield CH., Hicks KA., French JB. "Structural and Functional Basis for Targeting Campylobacter jejuni Agmatine Deiminase To Overcome Antibiotic Resistance." Biochemistry. 56(51):6734-6742, 2017.
Tian D., Battles MB., Moin SM., Chen M., Modjarrad K., Kumar A., Kanekiyo M., Graepel KW., Taher NM., Hotard AL., Moore ML., Zhao M., Zheng Z-Z., Xia N-S., McLellan JS. and Graham BS. "Structural basis of respiratory syncytial virus subtype-dependent neutralization by an antibody targeting the fusion glycoprotein". Nature Communications, v 8, Article number: 1877, 2017.
Wong K., Perpich J.D., Kozlov G., Cygler M., Kwaik Y.A., Gehring K. "Structural Mimicry by a Bacterial F Box Effector Hijacks the Host Ubiquitin-Proteasome SystemOriginal". Structure, v. 25, (2), 376-383, 2017.
Zhang H., Kozlov G., Li X., Wu H., Gulerez I. & Gehring K. "PRL3 phosphatase active site is required for binding the putative magnesium transporter CNNM3". Scientific Reports 7, Article number: 48, doi:10.1038/s41598-017-00147-2, 2017.
Alamo L, Qi D, Wriggers W, Antonio, Zhu J, Bilbao A, Gillilan RE, Hu S, Padron R. "Conserved intramolecular interactions maintain myosin interacting-heads motifs explaining tarantula muscle super-relaxed state structural basis." Journal of Molecular Biology (2016).
Ando N, Li H, Brignole EJ, Thompson S, McLaughlin MI, Page JE, Asturias FJ, Stubbe J, and Drennan CL. "Allosteric Inhibition of Human Ribonucleotide Reductase by dATP Entails the Stabilization of a Hexamer". Biochemistry, 55 (2), pp 373–381, (2016).
Bauman JD, Harrison JJEK, Arnold E. "Rapid experimental SAD phasing and hot-spot identification with halogenated fragments." IUCrJ 3(1), 51-60 (2016).
Bhambure R, Gillespie CM, Phillips M, Graalfs H, Lenhoff AM. "Ionic strength-dependent changes in tentacular ion exchangers with variable ligand density. I. Structural properties". Journal of Chromatography A, Volume 1463, 9 September 2016, Pages 90-101, ISSN 0021-9673, (2016).
Bhatt, A., Mahon, B. P., Cruzeiro, V. W. D., Cornelio, B., Laronze-Cochard, M., Ceruso, M., Sapi, J., Rance, G. A., Khlobystov, A. N., Fontana, A., Roitberg, A., Supuran, C. T. and McKenna, R. "Structure–Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity". ChemBioChem. doi:10.1002/cbic.201600513 (2016).
Bhardwaj A, Sankhala RS, Olia AS, Brooke D, Casjens SR, Taylor DJ, Prevelige PE Jr, Cingolani G. "Structural Plasticity of the Protein Plug That Traps Newly Packaged Genomes in Podoviridae Virions." The Journal of Biological Chemistry 291, 215-226 (2016).
Boyaci H, Shah T, Hurley A, Kokona B, Li Z, Ventocilla C, Jeffrey PD, Semmelhack MF, Fairman R, Bassler BL, Hughson FM. "Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO". PLOC, (2016).
Branchini BR., Southworth TL., Fontaine DM., Murtiashaw MH., McGurk A., Talukder MH., Qureshi R., Yetil D., Sundlov JA. and Gulick AM. "Cloning of the Orange Light-Producing Luciferase from Photinus scintillans". Photochemistry and Photobiology, 93: 479–485, 2017.
Cho S, Dickey SW, Urban S. "Crystal Structures and Inhibition Kinetics Reveal a Two-Stage Catalytic Mechanism with Drug Design Implications for Rhomboid Proteolysis." Molecular Cell 61(3), 329-340 (2016).
Cooley RB, O’Donnell JP and Sondermann H. “Coincidence detection and bi-directional transmembrane signaling control a bacterial second messenger receptor.” eLife 2016;5:e21848, (2016).
Corcos AR, Villanueva O, Walroth RC, Sharma SK, Bacsa J, Lancaster KM, MacBeth CE, Berry JF, "Oxygen Activation by Co(II) and a Redox Non-Innocent Ligand: Spectroscopic Characterization of a Radical–Co(II)–Superoxide Complex with Divergent Catalytic Reactivity," Journal of the American Chemical Society 138(6), 1796-1799 (2016).
Dahlstrom KM, Giglio KM, Sondermann H and O'Toole GA "The Inhibitory Site of a Diguanylate Cyclase Is a Necessary Element for Interaction and Signaling with an Effector Protein". J. Bacteriol. v. 198 no. 11, 1595-1603, (2016).
Das K, Balzarini J, Miller MT, Maguire AR, DeStefano JJ, and Arnold E. "Conformational States of HIV-1 Reverse Transcriptase for Nucleotide Incorporation vs Pyrophosphorolysis—Binding of Foscarnet". ACS Chem. Biol. (2016).
Devarkar SC, Wang C, Miller MT, Ramanathan A, Jiang F, Khan AG, Patel SS, and Marcotrigiano J. "Structural basis for m7G recognition and 2'-O-methyl discrimination in capped RNAs by the innate immune receptor RIG-I". PNAS, vol. 113 no. 3 pp. 596–601, (2016).
Eisemann T, McCauley M, Langelier M-F, Gupta K, Roy S, Van Duyne GD, Pascal JM. "Tankyrase-1 Ankyrin Repeats Form an Adaptable Binding Platform for Targets of ADP-Ribose Modification". Structure, 24, 1–14, (2016).
Ericson DL, Yin X, Scalia A, Samara YN, Stearns R, Vlahos H, Ellson R, Sweet RM, Soares AS. "Acoustic Methods to Monitor Protein Crystallization and to Detect Protein Crystals in Suspensions of Agarose and Lipidic Cubic Phase". Journal of Laboratory Automation, v. 21 no. 1, pp. 107-114, (2016).
Fenwick MK, Philmus B, Begley TP, and Ealick SE. "Burkholderia glumae ToxA Is a Dual-Specificity Methyltransferase That Catalyzes the Last Two Steps of Toxoflavin Biosynthesis". Biochemistry, 55 (19), pp 2748–2759, (2016).
Fenwick MK and Ealick SE. "Crystal Structures of the Iron–Sulfur Cluster-Dependent Quinolinate Synthase in Complex with Dihydroxyacetone Phosphate, Iminoaspartate Analogues, and Quinolinate". Biochemistry, 55 (30), 4135-4139, (2016).
Gibbs EB and Showalter SA. "Quantification of Compactness and Local Order in the Ensemble of the Intrinsically Disordered Protein FCP1". J. Phys. Chem. B, 120 (34), pp 8960–8969, (2016).
Gorelik A, Illes K, Superti-Furga G, Nagar B, "Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-Like Phosphodiesterase SMPDL3A," The Journal of Biological Chemistry (2016).
Hopkins JB and Thorne RE, "Quantifying radiation damage in biomolecular small-angle X-ray scattering", J Appl Crystallogr, 49(3), 880-890 (2016).
Huang Q, Gruner SM, Kim CU, Mao Y, Wu X, Szebenyi DM. "Reduction of lattice disorder in protein crystals by high-pressure cryocooling," J Appl Crystallogr. 49(1), 149-157 (2016).
Huang Q, Szebenyi DME, "Improving diffraction resolution using a new dehydration method." Acta Crystallographica Section F 72(2), 152-159 (2016).
Karasawa A., Kawate T. "Structural basis for subtype-specific inhibition of the P2X7 receptor". eLife, 2016.
Kim CU, Song HJ, Avvaru BS, Gruner SM, Park SY, and McKenna R. "Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals." PNAS, v. 113 no. 19, pp. 5257–5262, (2016).
Li Y, Erickson JW, Stalnecker CA, Katt WP, Huang Q, Cerione RA, Ramachandran S, "Mechanistic Basis of Glutaminase Activation: A Key Enzyme that Promotes Glutamine Metabolism in Cancer Cells", J Bio Chem (2016).
Lomelino CL, Mahon BP, McKenna R, Carta F, Supuran CT. "Kinetic and X-ray crystallographic investigations on carbonic anhydrase isoforms I, II, IX and XII of a thioureido analog of SLC-0111". Bioorganic & Medicinal Chemistry, v 24, 5, pp. 976–981, (2016).
Lucido MJ, Orlando BJ, Vecchio AJ, Malkowski MG. "Crystal structure of aspirin-acetylated human cyclooxygenase-2: Insight into the formation of products with reversed stereochemistry." Biochemistry including biophysical chemistry and molecular biology 55(8), 1226-1238 (2016).
Lukk T, Gillilan RE, Szebenyi DM, Zipfel WR. "A visible-light-excited fluorescence method for imaging protein crystals without added dyes." J Appl Crystallogr 49, 234-240 (2016).
Mahon BP, Kurian JJ, Lomelino CL, Smith IR, Socorro L, Bennett A, Hendon AM, Chipman P, Savin DA, Agbandje-McKenna M and McKenna R. "Microbatch Mixing: “Shaken not Stirred”, a Method for Macromolecular Microcrystal Production for Serial Crystallography". Crystal Growth & Design, 16 (11), 6214-6221, (2016).
Mahon BP, Bhatt A, Socorro L, Driscoll JM, Okoh C, Lomelino CL, Mboge MY, Kurian JJ, Tu C, Agbandje-McKenna M, Frost SC, and McKenna R. "The Structure of Carbonic Anhydrase IX Is Adapted for Low-pH Catalysis". Biochemistry, 55 (33), 4642-4653 (2016).
Matsuyama BY, Krasteva P, Baraquet C, Harwood CS, Sondermann H, Navarro MVAS. "Mechanistic insights into c-di-GMP–dependent control of the biofilm regulator FleQ from Pseudomonas aeruginosa". PNAS, v. 113, 2, (2016).
McDermott LA , Iyer P, Vernetti L, Rimer S, Sun J, Boby M, Yang T, Fioravanti M, O’Neill J, Wang L, Drakes D, Katt W, Huang Q, Cerione R. "Design and evaluation of novel glutaminase inhibitors." Bioorganic & Medicinal Chemistry (2016).
Meisburger SP, Taylor AB, Khan CA, Zhang S, Fitzpatrick PF, and Ando A. "Domain Movements upon Activation of Phenylalanine Hydroxylase Characterized by Crystallography and Chromatography-Coupled Small-Angle X-ray Scattering". J. Am. Chem. Soc., 138 (20), pp. 6506–6516, (2016).
Miller MT, Tuske S, Das K, DeStefano JJ, Arnold E. "Structure of HIV-1 reverse transcriptase bound to a novel 38-mer hairpin template-primer DNA aptamer." Protein Sci. 25, 46-55 (2016).
Mori S, Simkhada D, Zhang H, Erb MS, Zhang Y, Williams H, Fedoseyenko D, Russell WK, Kim D, Fleer N, Ealick SE, and Watanabe CMH. "Polyketide Ring Expansion Mediated by a Thioesterase, Chain Elongation and Cyclization Domain, in Azinomycin Biosynthesis: Characterization of AziB and AziG". Biochemistry, 55 (4), pp 704–714, (2016).
Oot RA, Kane PM, Berry EA & Wilkens S. "Crystal structure of yeast V1-ATPase in the autoinhibited state". EMBO Journal, 35, 1694-1706, (2016).
Pabit SA, Katz AM, Tolokh AS, Drozdetski A, Baker N, Onufriev AV, and Pollack L. "Understanding nucleic acid structural changes by comparing wide-angle x-ray scattering (WAXS) experiments to molecular dynamics simulations". J. Chem. Phys. 144, 205102 (2016).
Payne T, Yee E, Dzikovski B, Crane B, "Constraints on the Radical Cation Center of Cytochrome c Peroxidase for Electron Transfer from Cytochrome c." Biochemistry 55(34), 4807-4822 (2016).
Patel D, Antwi J, Koneru PC, Serrao E, Forli S, Kessl JJ, Feng L, Deng N, Levy PM, Fuchs JR, Olson AJ, Engelman AN, Bauman JD, Kvaratskhelia M and Arnold E. "A New Class of Allosteric HIV-1 Integrase Inhibitors Identified by Crystallographic Fragment Screening of the Catalytic Core Domain". J. Biolog. Chem., v. 291, NO. 45, pp. 23569 –23577, (2016)..
Pinard MA, Kurian J., Aggarwal M, Agbandje-McKenna M. and McKenna R. "Cryoannealing-induced space-group transition of crystals of the carbonic anhydrase psCA3". Acta Crystallographica Section F, Volume 72, Part 7, 573-577 (2016).
Reimer JM, Aloise MN, Harrison PM, Schmeing TM, "Synthetic cycle of the initiation module of a formylating nonribosomal peptide synthetase," Nature 529, 239-242 (2016).
Richardson BC, Halaby SL, Gustafson MA, Fromme JC. "The Sec7 N-terminal regulatory domains facilitate membrane-proximal activation of the Arf1 GTPase". eLIFE (2016).
Sarowar S, Hu J, Werneburg GT, Thanassi DG, Li H. "The Escherichia coli P and type 1 pilus assembly chaperones PapD and FimC are monomeric in solution". J. Bacteriol., (2016).
Schormann, N., Zhukovskaya, N., Bedwell, G., Nuth, M., Gillilan, R., Prevelige, P. E., Ricciardi, R. P., Banerjee, S. and Chattopadhyay, D. "Poxvirus uracil-DNA glycosylase—An unusual member of the family I uracil-DNA glycosylases." Protein Science, 25: 2113–2131. doi:10.1002/pro.3058, (2016).
Singh G, Zhang J, Ma Y, Cerione RA, Antonyak MA, "The different conformational states of Tissue Transglutaminase have opposing affects on cell viability". The Journal of Biological Chemistry (2016).
Trempe J.-F, Šašková KG, Sivá M, Ratcliffe CDH, Veverka V, Hoegl A, Ménade M, Feng X, Shenker S, Svoboda M, Kožíšek M, Konvalinka J, Gehring K. "Structural studies of the yeast DNA damage-inducible protein Ddi1 reveal domain architecture of this eukaryotic protein family". Sci. Rep. 6, 33671, (2016).
Wierman J, Lan TY, Tate M, Philipp H, Elser V, and Gruner S. "Protein Crystal Structure from Non-oriented, Single-axis Sparse X-ray Data." IUCrJ 3: 43-50 (2016).
Xiong Z-X, Huang J., Poda G., Pomès R., Privé G.G. "Structure of Human Acid Sphingomyelinase Reveals the Role of the Saposin Domain in Activating Substrate Hydrolysis". J. Mol. Biology, In Press, (2016).
Xu C, Kozlov G, Wong K, Gehring K, Cygler M. "Crystal Structure of the Salmonella Typhimurium Effector GtgE". PLoS ONE 11(12): e0166643. doi:10.1371/journal. pone.0166643 (2016).
Zhang H, Chang Y-C,, Huang Q, Brennan ML, Wu J. "Structural and Functional Analysis of a Talin Triple-Domain Module Suggests an Alternative Talin Autoinhibitory Configuration". Structure, v. 24, 5, pp. 721–729, (2016).
Hopkins J., "Development Of Low Temperature Biological Small Angle X-Ray Scattering, Cryosaxs, And Study Of Ice Formation In Aqueous Solutions" Ph.D. Thesis, Cornell University, Advisor: Robert Thorne, (2016).
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