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Publications indexed to the term Molecular Conformation

FacultyTitle
1Structures of β1-adrenergic receptor in complex with Gs and ligands of different efficacies. (Su M, Paknejad N, Zhu L, Wang J, Do HN, Miao Y, Liu W, Hite RK, Huang XY) Nat Commun 2022 Jul 14;13(1):4095       15 Citations
2Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. (Liu S, Paknejad N, Zhu L, Kihara Y, Ray M, Chun J, Liu W, Hite RK, Huang XY) Nat Commun 2022 Feb 08;13(1):731       47 Citations
1Biological evaluation and synthesis of calcitroic acid. (Yu OB, Webb DA, Di Milo ES, Mutchie TR, Teske KA, Chen T, Lin W, Peluso-Iltis C, Rochel N, Helmstädter M, Merk D, Arnold LA) Bioorg Chem 2021 Nov;116:105310       6 Citations
1The Nontypeable Haemophilus influenzae Major Adhesin Hia Is a Dual-Function Lectin That Binds to Human-Specific Respiratory Tract Sialic Acid Glycan Receptors. (Atack JM, Day CJ, Poole J, Brockman KL, Timms JRL, Winter LE, Haselhorst T, Bakaletz LO, Barenkamp SJ, Jennings MP) mBio 2020 Nov 03;11(6)       11 Citations
1Structural Characterization of Biomolecules through Atomistic Simulations Guided by DEER Measurements. (Marinelli F, Fiorin G) Structure 2019 Feb 05;27(2):359-370.e12       16 Citations
1Insights into Tear Film Stability from Babies and Young Adults: A Study of Human Meibum Lipid Conformation and Rheology. (Mudgil P, Borchman D, Ramasubramanian A) Int J Mol Sci 2018 Nov 07;19(11)       17 Citations
1Concise Total Synthesis of (-)-Affinisine Oxindole, (+)-Isoalstonisine, (+)-Alstofoline, (-)-Macrogentine, (+)-Na -Demethylalstonisine, (-)-Alstonoxine A, and (+)-Alstonisine. (Stephen MR, Rahman MT, Tiruveedhula VVNPB, Fonseca GO, Deschamps JR, Cook JM) Chemistry 2017 Nov 07;23(62):15805-15819       23 Citations
2Differences in Sulfotyrosine Binding amongst CXCR1 and CXCR2 Chemokine Ligands. (Moussouras NA, Getschman AE, Lackner ER, Veldkamp CT, Dwinell MB, Volkman BF) Int J Mol Sci 2017 Sep 03;18(9)       16 Citations
1Synthesis and properties of a series of β-cyclodextrin/nitrone spin traps for improved superoxide detection. (Poulhès F, Rizzato E, Bernasconi P, Rosas R, Viel S, Jicsinszky L, Rockenbauer A, Bardelang D, Siri D, Gaudel-Siri A, Karoui H, Hardy M, Ouari O) Org Biomol Chem 2017 Aug 02;15(30):6358-6366       7 Citations
1High quality NMR structures: a new force field with implicit water and membrane solvation for Xplor-NIH. (Tian Y, Schwieters CD, Opella SJ, Marassi FM) J Biomol NMR 2017 Jan;67(1):35-49       23 Citations
1Total Synthesis of Macrocarpines D and E via an Enolate-Driven Copper-Mediated Cross-Coupling Process: Replacement of Catalytic Palladium with Copper Iodide. (Rahman MT, Deschamps JR, Imler GH, Schwabacher AW, Cook JM) Org Lett 2016 Sep 02;18(17):4174-7       19 Citations
1Small Molecule Inhibitor of CBFβ-RUNX Binding for RUNX Transcription Factor Driven Cancers. (Illendula A, Gilmour J, Grembecka J, Tirumala VSS, Boulton A, Kuntimaddi A, Schmidt C, Wang L, Pulikkan JA, Zong H, Parlak M, Kuscu C, Pickin A, Zhou Y, Gao Y, Mishra L, Adli M, Castilla LH, Rajewski RA, Janes KA, Guzman ML, Bonifer C, Bushweller JH) EBioMedicine 2016 Jun;8:117-131       81 Citations
1Cytokines and growth factors cross-link heparan sulfate. (Migliorini E, Thakar D, Kühnle J, Sadir R, Dyer DP, Li Y, Sun C, Volkman BF, Handel TM, Coche-Guerente L, Fernig DG, Lortat-Jacob H, Richter RP) Open Biol 2015 Aug;5(8)       53 Citations
2Correlations between the Electronic Properties of Shewanella oneidensis Cytochrome c Nitrite Reductase (ccNiR) and Its Structure: Effects of Heme Oxidation State and Active Site Ligation. (Stein N, Love D, Judd ET, Elliott SJ, Bennett B, Pacheco AA) Biochemistry 2015 Jun 23;54(24):3749-58       10 Citations
1Bacterial Renalase: Structure and Kinetics of an Enzyme with 2- and 6-Dihydro-β-NAD(P) Oxidase Activity from Pseudomonas phaseolicola. (Hoag MR, Roman J, Beaupre BA, Silvaggi NR, Moran GR) Biochemistry 2015 Jun 23;54(24):3791-802       18 Citations
1Conformational dynamics of metallo-β-lactamase CcrA during catalysis investigated by using DEER spectroscopy. (Aitha M, Moritz L, Sahu ID, Sanyurah O, Roche Z, McCarrick R, Lorigan GA, Bennett B, Crowder MW) J Biol Inorg Chem 2015 Apr;20(3):585-94       17 Citations
1Attenuation of anti-tuberculosis therapy induced hepatotoxicity by Spirulina fusiformis, a candidate food supplement. (Martin SJ, Baskaran UL, Vedi M, Sabina EP) Toxicol Mech Methods 2014 Dec;24(8):584-92       19 Citations
1Old drug new use--amoxapine and its metabolites as potent bacterial β-glucuronidase inhibitors for alleviating cancer drug toxicity. (Kong R, Liu T, Zhu X, Ahmad S, Williams AL, Phan AT, Zhao H, Scott JE, Yeh LA, Wong ST) Clin Cancer Res 2014 Jul 01;20(13):3521-30       78 Citations
1Stereospecific total synthesis of the indole alkaloid ervincidine. Establishment of the C-6 hydroxyl stereochemistry. (Rallapalli SK, Namjoshi OA, Tiruveedhula VV, Deschamps JR, Cook JM) J Org Chem 2014 May 02;79(9):3776-80       4 Citations
1Electronic communication across diamagnetic metal bridges: a homoleptic gallium(III) complex of a redox-active diarylamido-based ligand and its oxidized derivatives. (Liddle BJ, Wanniarachchi S, Hewage JS, Lindeman SV, Bennett B, Gardinier JR) Inorg Chem 2012 Dec 03;51(23):12720-8       18 Citations
2Heparin oligosaccharides inhibit chemokine (CXC motif) ligand 12 (CXCL12) cardioprotection by binding orthogonal to the dimerization interface, promoting oligomerization, and competing with the chemokine (CXC motif) receptor 4 (CXCR4) N terminus. (Ziarek JJ, Veldkamp CT, Zhang F, Murray NJ, Kartz GA, Liang X, Su J, Baker JE, Linhardt RJ, Volkman BF) J Biol Chem 2013 Jan 04;288(1):737-46       73 Citations
1Structure of the chemokine receptor CXCR1 in phospholipid bilayers. (Park SH, Das BB, Casagrande F, Tian Y, Nothnagel HJ, Chu M, Kiefer H, Maier K, De Angelis AA, Marassi FM, Opella SJ) Nature 2012 Nov 29;491(7426):779-83       401 Citations
1Identification of a 2-phenyl-substituted octahydrobenzo[f]quinoline as a dopamine D₃ receptor-selective full agonist ligand. (Clark AH, McCorvy JD, Conley JM, Williams WK, Bekkam M, Watts VJ, Nichols DE) Bioorg Med Chem 2012 Nov 01;20(21):6366-74       9 Citations
2Molecular description of the propagation of chirality from molecules to complex systems: different mechanisms controlled by hydrophobic interactions. (Marinelli F, Sorrenti A, Corvaglia V, Leone V, Mancini G) Chemistry 2012 Nov 12;18(46):14680-8       19 Citations
2Structure-guided design of A(3) adenosine receptor-selective nucleosides: combination of 2-arylethynyl and bicyclo[3.1.0]hexane substitutions. (Tosh DK, Deflorian F, Phan K, Gao ZG, Wan TC, Gizewski E, Auchampach JA, Jacobson KA) J Med Chem 2012 May 24;55(10):4847-60       77 Citations
1Bioconversion of silybin to phase I and II microbial metabolites with retained antioxidant activity. (Abourashed EA, Mikell JR, Khan IA) Bioorg Med Chem 2012 May 01;20(9):2784-8       34 Citations
1Photochemistry of furyl- and thienyldiazomethanes: spectroscopic characterization of triplet 3-thienylcarbene. (Pharr CR, Kopff LA, Bennett B, Reid SA, McMahon RJ) J Am Chem Soc 2012 Apr 11;134(14):6443-54       17 Citations
1Structural determinants of ubiquitin-CXC chemokine receptor 4 interaction. (Saini V, Marchese A, Tang WJ, Majetschak M) J Biol Chem 2011 Dec 23;286(51):44145-44152       38 Citations
1Assessment of dopamine D₁ receptor affinity and efficacy of three tetracyclic conformationally-restricted analogs of SKF38393. (Clark AH, McCorvy JD, Watts VJ, Nichols DE) Bioorg Med Chem 2011 Sep 15;19(18):5420-31       9 Citations
1MAVENs: motion analysis and visualization of elastic networks and structural ensembles. (Zimmermann MT, Kloczkowski A, Jernigan RL) BMC Bioinformatics 2011 Jun 28;12:264       36 Citations
1Expression, refolding, and initial structural characterization of the Y. pestis Ail outer membrane protein in lipids. (Plesniak LA, Mahalakshmi R, Rypien C, Yang Y, Racic J, Marassi FM) Biochim Biophys Acta 2011 Jan;1808(1):482-9       18 Citations
1Botulinum neurotoxin A protease: discovery of natural product exosite inhibitors. (Silhár P, Capková K, Salzameda NT, Barbieri JT, Hixon MS, Janda KD) J Am Chem Soc 2010 Mar 10;132(9):2868-9       47 Citations
1A structure-affinity and comparative molecular field analysis of sigma-2 (sigma2) receptor ligands. (Abate C, Mosier PD, Berardi F, Glennon RA) Cent Nerv Syst Agents Med Chem 2009 Sep;9(3):246-57       33 Citations
1Analyzing the catalytic role of Asp97 in the methionine aminopeptidase from Escherichia coli. (Mitra S, Job KM, Meng L, Bennett B, Holz RC) FEBS J 2008 Dec;275(24):6248-59       8 Citations
1Reactivity of (2-alkenyl-3-pentene-1,5-diyl)iron complexes: preparation of functionalized vinylcyclopropanes and cycloheptadienes. (Pandey RK, Wang L, Wallock NJ, Lindeman S, Donaldson WA) J Org Chem 2008 Sep 19;73(18):7236-45       12 Citations
1Thermal stability and degradation kinetics of polystyrene/organically-modified montmorillonite nanocomposites. (Chigwada G, Kandare E, Wang D, Majoni S, Mlambo D, Wilkie CA, Hossenlopp JM) J Nanosci Nanotechnol 2008 Apr;8(4):1927-36       32 Citations
1Catalytic features of the botulinum neurotoxin A light chain revealed by high resolution structure of an inhibitory peptide complex. (Silvaggi NR, Wilson D, Tzipori S, Allen KN) Biochemistry 2008 May 27;47(21):5736-45       55 Citations
1The impact of altered protein-heme interactions on the resonance Raman spectra of heme proteins. Studies of heme rotational disorder. (Rwere F, Mak PJ, Kincaid JR) Biopolymers 2008 Mar;89(3):179-86       16 Citations
1Synthesis of cyclopropanes via organoiron methodology: preparation of rac-dysibetaine CPa. (Siddiquee TA, Lukesh JM, Lindeman S, Donaldson WA) J Org Chem 2007 Dec 07;72(25):9802-3       15 Citations
1Catalytic generation of N2O3 by the concerted nitrite reductase and anhydrase activity of hemoglobin. (Basu S, Grubina R, Huang J, Conradie J, Huang Z, Jeffers A, Jiang A, He X, Azarov I, Seibert R, Mehta A, Patel R, King SB, Hogg N, Ghosh A, Gladwin MT, Kim-Shapiro DB) Nat Chem Biol 2007 Dec;3(12):785-94       208 Citations
1Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain complexed with small-molecule inhibitors highlight active-site flexibility. (Silvaggi NR, Boldt GE, Hixon MS, Kennedy JP, Tzipori S, Janda KD, Allen KN) Chem Biol 2007 May;14(5):533-42       120 Citations
1Epoxygenase eicosanoids: synthesis of tetrahydrofuran-diol metabolites and their vasoactivity. (Falck JR, Reddy LM, Byun K, Campbell WB, Yi XY) Bioorg Med Chem Lett 2007 May 01;17(9):2634-8       16 Citations
1The synthesis and structure-activity relationship studies of selective acetyl-CoA carboxylase inhibitors containing 4-(thiazol-5-yl)but-3-yn-2-amino motif: polar region modifications. (Xu X, Weitzberg M, Keyes RF, Li Q, Wang R, Wang X, Zhang X, Frevert EU, Camp HS, Beutel BA, Sham HL, Gu YG) Bioorg Med Chem Lett 2007 Mar 15;17(6):1803-7       19 Citations
1Nucleophilic addition to (3-methylpentadienyl)iron(1+) cations: counterion control of regioselectivity; application to the enantioselective synthesis of 4,5-disubstituted cyclohexenones. (Chaudhury S, Donaldson WA) J Am Chem Soc 2006 May 10;128(18):5984-5       16 Citations
1The X-ray crystal structures of human alpha-phosphomannomutase 1 reveal the structural basis of congenital disorder of glycosylation type 1a. (Silvaggi NR, Zhang C, Lu Z, Dai J, Dunaway-Mariano D, Allen KN) J Biol Chem 2006 May 26;281(21):14918-26       64 Citations
1An unusual intramolecular hetero-Diels-Alder cycloaddition. (Stoner EJ, Allen MS, Christesen AC, Henry RF, Hollis LS, Keyes R, Marsden I, Rehm TC, Shiroor SG, Soni NB, Stewart KD) J Org Chem 2005 Apr 15;70(8):3332-5       6 Citations
1Diastereoselective synthesis and ESR study of 4-phenylDEPMPO spin traps. (Hardy M, Chalier F, Finet JP, Rockenbauer A, Tordo P) J Org Chem 2005 Mar 18;70(6):2135-42       14 Citations
1Characterization of BIV Env core: implication for mechanism of BIV-mediated cell fusion. (Li S, Zhu J, Peng Y, Cui S, Wang C, Gao GF, Tien P) Biochem Biophys Res Commun 2005 Apr 08;329(2):603-9       3 Citations
1Characterization of the active site and insight into the binding mode of the anti-angiogenesis agent fumagillin to the manganese(II)-loaded methionyl aminopeptidase from Escherichia coli. (D'souza VM, Brown RS, Bennett B, Holz RC) J Biol Inorg Chem 2005 Jan;10(1):41-50       11 Citations
1Apolipoprotein A-II regulates HDL stability and affects hepatic lipase association and activity. (Boucher J, Ramsamy TA, Braschi S, Sahoo D, Neville TA, Sparks DL) J Lipid Res 2004 May;45(5):849-58       48 Citations
1Mononuclear N3S(thioether)-ligated copper(II) methoxide complexes: synthesis, characterization, and hydrolytic reactivity. (Tubbs KJ, Fuller AL, Bennett B, Arif AM, Berreau LM) Inorg Chem 2003 Aug 11;42(16):4790-1       33 Citations
1Molecular dynamics of 1-palmitoyl-2-oleoylphosphatidylcholine membranes containing transmembrane alpha-helical peptides with alternating leucine and alanine residues. (Subczynski WK, Pasenkiewicz-Gierula M, McElhaney RN, Hyde JS, Kusumi A) Biochemistry 2003 Apr 08;42(13):3939-48       43 Citations
1Iron-mediated preparation of vinylcyclopropanecarboxylates: scope, mechanism, and applications. (Yun YK, Godula K, Cao Y, Donaldson WA) J Org Chem 2003 Feb 07;68(3):901-10       36 Citations
1Catalytic enantioselective synthesis of (-)-prostaglandin E1 methyl ester based on a tandem 1,4-addition-aldol reaction. (Arnold LA, Naasz R, Minnaard AJ, Feringa BL) J Org Chem 2002 Oct 18;67(21):7244-54       103 Citations
1Discovery of imidazole glycerol phosphate dehydratase inhibitors through 3-D database searching. (Schweitzer BA, Loida PJ, CaJacob CA, Chott RC, Collantes EM, Hegde SG, Mosier PD, Profeta S) Bioorg Med Chem Lett 2002 Jul 08;12(13):1743-6       18 Citations
1Isolation and characterization of Brachystemidines A-E, novel alkaloids from Brachystemma calycinum. (Cheng YX, Zhou J, Tan NH, Teng RW, Lu Y, Wang C, Zheng QT) J Nat Prod 2002 May;65(5):750-2       11 Citations
1A dynamic model for bilirubin binding to human serum albumin. (Petersen CE, Ha CE, Harohalli K, Feix JB, Bhagavan NV) J Biol Chem 2000 Jul 14;275(28):20985-95       89 Citations
1Effects of lutein and cholesterol on alkyl chain bending in lipid bilayers: a pulse electron spin resonance spin labeling study. (Yin JJ, Subczynski WK) Biophys J 1996 Aug;71(2):832-9       62 Citations
1Impact of angiotensin-converting enzyme substrate conformation on fractional hydrolysis in lung. (Merker MP, Armitage IM, Audi SH, Kakalis LT, Linehan JH, Maehl JR, Roerig DL, Dawson CA) Am J Physiol 1996 Feb;270(2 Pt 1):L251-9       10 Citations
1NMR studies of the conformations and location of nucleotides bound to the Escherichia coli MutT enzyme. (Frick DN, Weber DJ, Abeygunawardana C, Gittis AG, Bessman MJ, Mildvan AS) Biochemistry 1995 Apr 25;34(16):5577-86       45 Citations
1The antiviral peptide carbobenzoxy-D-phenylalanyl-L-phenylalanylglycine changes the average conformation of phospholipids in membranes. (Yeagle PL, Dentino AR, Smith FT, Spooner P, Watts A) Biochemistry 1993 Nov 16;32(45):12197-202       8 Citations
1Influence of phospholipid unsaturation on the cholesterol distribution in membranes. (Pasenkiewicz-Gierula M, Subczynski WK, Kusumi A) Biochimie 1991 Oct;73(10):1311-6       50 Citations
1Orientational and motional properties of copper (II) complexes of dibenzotetraaza [14]annulenes in lipid bilayers: an ESR study. (Pezeshk A, Pezeshk V, Subczynski WK) J Inorg Biochem 1991 Oct;44(1):47-53       2 Citations
1Microimmiscibility and three-dimensional dynamic structures of phosphatidylcholine-cholesterol membranes: translational diffusion of a copper complex in the membrane. (Subczynski WK, Antholine WE, Hyde JS, Kusumi A) Biochemistry 1990 Aug 28;29(34):7936-45       69 Citations
1Rotational diffusion of a steroid molecule in phosphatidylcholine-cholesterol membranes: fluid-phase microimmiscibility in unsaturated phosphatidylcholine-cholesterol membranes. (Pasenkiewicz-Gierula M, Subczynski WK, Kusumi A) Biochemistry 1990 May 01;29(17):4059-69       69 Citations
1The influence of ion species on phosphatidylcholine bilayer structure and packing. (Cunningham BA, Shimotake JE, Tamura-Lis W, Mastran T, Kwok WM, Kauffman JW, Lis LJ) Chem Phys Lipids 1986 Jan;39(1-2):135-43       43 Citations
1ESR of copper and iron complexes with antitumor and cytotoxic properties. (Antholine WE, Kalyanaraman B, Petering DH) Environ Health Perspect 1985 Dec;64:19-35       47 Citations