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A Decoupled Automation Platform for Hydrogen/Deuterium Exchange Mass Spectrometry Experiments.

Espada A, Haro R, Castañon J, Sayago C, Perez-Cozar F, Cano L, Redero P, Molina-Martin M, Broughton H, Stites RE, Pascal BD, Griffin PR, Dodge JA, Chalmers MJ.

J Am Soc Mass Spectrom. 2019 Nov 13. doi: 10.1007/s13361-019-02331-2. [Epub ahead of print]


Interlaboratory Comparison of Hydrogen-Deuterium Exchange Mass Spectrometry Measurements of the Fab Fragment of NISTmAb.

Hudgens JW, Gallagher ES, Karageorgos I, Anderson KW, Filliben JJ, Huang RY, Chen G, Bou-Assaf GM, Espada A, Chalmers MJ, Harguindey E, Zhang HM, Walters BT, Zhang J, Venable J, Steckler C, Park I, Brock A, Lu X, Pandey R, Chandramohan A, Anand GS, Nirudodhi SN, Sperry JB, Rouse JC, Carroll JA, Rand KD, Leurs U, Weis DD, Al-Naqshabandi MA, Hageman TS, Deredge D, Wintrode PL, Papanastasiou M, Lambris JD, Li S, Urata S.

Anal Chem. 2019 Jun 4;91(11):7336-7345. doi: 10.1021/acs.analchem.9b01100. Epub 2019 May 14.


Deciphering Binding Interactions of IL-23R with HDX-MS: Mapping Protein and Macrocyclic Dodecapeptide Ligands.

Sayago C, Gonzalez Valcarcel IC, Qian Y, Lee J, Alsina-Fernandez J, Fite NC, Carrillo JJ, Zhang FF, Chalmers MJ, Dodge JA, Broughton H, Espada A.

ACS Med Chem Lett. 2018 Aug 1;9(9):912-916. doi: 10.1021/acsmedchemlett.8b00255. eCollection 2018 Sep 13.


Chemical Proteomic Characterization of a Covalent KRASG12C Inhibitor.

Wijeratne A, Xiao J, Reutter C, Furness KW, Leon R, Zia-Ebrahimi M, Cavitt RN, Strelow JM, Van Horn RD, Peng SB, Barda DA, Engler TA, Chalmers MJ.

ACS Med Chem Lett. 2018 May 21;9(6):557-562. doi: 10.1021/acsmedchemlett.8b00110. eCollection 2018 Jun 14.


Utilization of peptide phage display to investigate hotspots on IL-17A and what it means for drug discovery.

Ting JP, Tung F, Antonysamy S, Wasserman S, Jones SB, Zhang FF, Espada A, Broughton H, Chalmers MJ, Woodman ME, Bina HA, Dodge JA, Benach J, Zhang A, Groshong C, Manglicmot D, Russell M, Afshar S.

PLoS One. 2018 Jan 12;13(1):e0190850. doi: 10.1371/journal.pone.0190850. eCollection 2018.


HDX reveals the conformational dynamics of DNA sequence specific VDR co-activator interactions.

Zheng J, Chang MR, Stites RE, Wang Y, Bruning JB, Pascal BD, Novick SJ, Garcia-Ordonez RD, Stayrook KR, Chalmers MJ, Dodge JA, Griffin PR.

Nat Commun. 2017 Oct 13;8(1):923. doi: 10.1038/s41467-017-00978-7.


A Residue-Resolved Bayesian Approach to Quantitative Interpretation of Hydrogen-Deuterium Exchange from Mass Spectrometry: Application to Characterizing Protein-Ligand Interactions.

Saltzberg DJ, Broughton HB, Pellarin R, Chalmers MJ, Espada A, Dodge JA, Pascal BD, Griffin PR, Humblet C, Sali A.

J Phys Chem B. 2017 Apr 20;121(15):3493-3501. doi: 10.1021/acs.jpcb.6b09358. Epub 2016 Dec 1.


Proteolysis by Granzyme B Enhances Presentation of Autoantigenic Peptidylarginine Deiminase 4 Epitopes in Rheumatoid Arthritis.

Darrah E, Kim A, Zhang X, Boronina T, Cole RN, Fava A, Giles JT, Bingham III CO, Chalmers MJ, Griffin PR, Sadegh-Nasseri S, Rosen A.

J Proteome Res. 2017 Jan 6;16(1):355-365. doi: 10.1021/acs.jproteome.6b00617. Epub 2016 Oct 20.


Corrigendum to "Structural features underlying raloxifene's biophysical interaction with bone matrix" [Bioorg. Med. Chem. 24 (2016) 759-767].

Bivi N, Hu H, Chavali B, Chalmers MJ, Reutter CT, Durst GL, Riley A, Sato M, Allen MR, Burr DB, Dodge JA.

Bioorg Med Chem. 2016 Sep 15;24(18):4516. doi: 10.1016/j.bmc.2016.07.014. Epub 2016 Jul 14. No abstract available.


Two-Site Evaluation of the Repeatability and Precision of an Automated Dual-Column Hydrogen/Deuterium Exchange Mass Spectrometry Platform.

Cummins DJ, Espada A, Novick SJ, Molina-Martin M, Stites RE, Espinosa JF, Broughton H, Goswami D, Pascal BD, Dodge JA, Chalmers MJ, Griffin PR.

Anal Chem. 2016 Jun 21;88(12):6607-14. doi: 10.1021/acs.analchem.6b01650. Epub 2016 Jun 13.


A Binding Site on IL-17A for Inhibitory Macrocycles Revealed by Hydrogen/Deuterium Exchange Mass Spectrometry.

Espada A, Broughton H, Jones S, Chalmers MJ, Dodge JA.

J Med Chem. 2016 Mar 10;59(5):2255-60. doi: 10.1021/acs.jmedchem.5b01693. Epub 2016 Feb 18.


Structural features underlying raloxifene's biophysical interaction with bone matrix.

Bivi N, Hu H, Chavali B, Chalmers MJ, Reutter CT, Durst GL, Riley A, Sato M, Allen MR, Burr DB, Dodge JA.

Bioorg Med Chem. 2016 Feb 15;24(4):759-67. doi: 10.1016/j.bmc.2015.12.045. Epub 2015 Dec 29. Erratum in: Bioorg Med Chem. 2016 Sep 15;24(18):4516.


Structural mechanism for signal transduction in RXR nuclear receptor heterodimers.

Kojetin DJ, Matta-Camacho E, Hughes TS, Srinivasan S, Nwachukwu JC, Cavett V, Nowak J, Chalmers MJ, Marciano DP, Kamenecka TM, Shulman AI, Rance M, Griffin PR, Bruning JB, Nettles KW.

Nat Commun. 2015 Aug 20;6:8013. doi: 10.1038/ncomms9013.


HDX reveals unique fragment ligands for the vitamin D receptor.

Carson MW, Zhang J, Chalmers MJ, Bocchinfuso WP, Holifield KD, Masquelin T, Stites RE, Stayrook KR, Griffin PR, Dodge JA.

Bioorg Med Chem Lett. 2014 Aug 1;24(15):3459-63. doi: 10.1016/j.bmcl.2014.05.070. Epub 2014 May 29.


Nitric oxide-induced conformational changes in soluble guanylate cyclase.

Underbakke ES, Iavarone AT, Chalmers MJ, Pascal BD, Novick S, Griffin PR, Marletta MA.

Structure. 2014 Apr 8;22(4):602-11. doi: 10.1016/j.str.2014.01.008. Epub 2014 Feb 20.


Defining the communication between agonist and coactivator binding in the retinoid X receptor α ligand binding domain.

Boerma LJ, Xia G, Qui C, Cox BD, Chalmers MJ, Smith CD, Lobo-Ruppert S, Griffin PR, Muccio DD, Renfrow MB.

J Biol Chem. 2014 Jan 10;289(2):814-26. doi: 10.1074/jbc.M113.476861. Epub 2013 Nov 1.


Activation of AMP-activated protein kinase revealed by hydrogen/deuterium exchange mass spectrometry.

Landgraf RR, Goswami D, Rajamohan F, Harris MS, Calabrese MF, Hoth LR, Magyar R, Pascal BD, Chalmers MJ, Busby SA, Kurumbail RG, Griffin PR.

Structure. 2013 Nov 5;21(11):1942-53. doi: 10.1016/j.str.2013.08.023. Epub 2013 Sep 26.


Time window expansion for HDX analysis of an intrinsically disordered protein.

Goswami D, Devarakonda S, Chalmers MJ, Pascal BD, Spiegelman BM, Griffin PR.

J Am Soc Mass Spectrom. 2013 Oct;24(10):1584-92. doi: 10.1007/s13361-013-0669-y. Epub 2013 Jul 25.


Decoding split and pool combinatorial libraries with electron-transfer dissociation tandem mass spectrometry.

Sarkar M, Pascal BD, Steckler C, Aquino C, Micalizio GC, Kodadek T, Chalmers MJ.

J Am Soc Mass Spectrom. 2013 Jul;24(7):1026-36. doi: 10.1007/s13361-013-0633-x. Epub 2013 May 2.


Protein conformation ensembles monitored by HDX reveal a structural rationale for abscisic acid signaling protein affinities and activities.

West GM, Pascal BD, Ng LM, Soon FF, Melcher K, Xu HE, Chalmers MJ, Griffin PR.

Structure. 2013 Feb 5;21(2):229-35. doi: 10.1016/j.str.2012.12.001. Epub 2013 Jan 3.


HDX workbench: software for the analysis of H/D exchange MS data.

Pascal BD, Willis S, Lauer JL, Landgraf RR, West GM, Marciano D, Novick S, Goswami D, Chalmers MJ, Griffin PR.

J Am Soc Mass Spectrom. 2012 Sep;23(9):1512-21. doi: 10.1007/s13361-012-0419-6. Epub 2012 Jun 13.


Hydrophobic Interactions Improve Selectivity to ERα for Ben-zothiophene SERMs.

Chalmers MJ, Wang Y, Novick S, Sato M, Bryant HU, Montrose-Rafizdeh C, Griffin PR, Dodge JA.

ACS Med Chem Lett. 2012 Mar 8;3(3):207-210.


Probing adenylation: using a fluorescently labelled ATP probe to directly label and immunoprecipitate VopS substrates.

Lewallen DM, Steckler CJ, Knuckley B, Chalmers MJ, Thompson PR.

Mol Biosyst. 2012 Jun;8(6):1701-6. doi: 10.1039/c2mb25053e. Epub 2012 Mar 28.


A biomimetic polyketide-inspired approach to small-molecule ligand discovery.

Aquino C, Sarkar M, Chalmers MJ, Mendes K, Kodadek T, Micalizio GC.

Nat Chem. 2011 Nov 20;4(2):99-104. doi: 10.1038/nchem.1200.


Ligand and receptor dynamics contribute to the mechanism of graded PPARγ agonism.

Hughes TS, Chalmers MJ, Novick S, Kuruvilla DS, Chang MR, Kamenecka TM, Rance M, Johnson BA, Burris TP, Griffin PR, Kojetin DJ.

Structure. 2012 Jan 11;20(1):139-50. doi: 10.1016/j.str.2011.10.018.


Structural basis for basal activity and autoactivation of abscisic acid (ABA) signaling SnRK2 kinases.

Ng LM, Soon FF, Zhou XE, West GM, Kovach A, Suino-Powell KM, Chalmers MJ, Li J, Yong EL, Zhu JK, Griffin PR, Melcher K, Xu HE.

Proc Natl Acad Sci U S A. 2011 Dec 27;108(52):21259-64. doi: 10.1073/pnas.1118651109. Epub 2011 Dec 12.


Automated hydrogen/deuterium exchange electron transfer dissociation high resolution mass spectrometry measured at single-amide resolution.

Landgraf RR, Chalmers MJ, Griffin PR.

J Am Soc Mass Spectrom. 2012 Feb;23(2):301-9. doi: 10.1007/s13361-011-0298-2. Epub 2011 Dec 1.


Molecular mimicry regulates ABA signaling by SnRK2 kinases and PP2C phosphatases.

Soon FF, Ng LM, Zhou XE, West GM, Kovach A, Tan MH, Suino-Powell KM, He Y, Xu Y, Chalmers MJ, Brunzelle JS, Zhang H, Yang H, Jiang H, Li J, Yong EL, Cutler S, Zhu JK, Griffin PR, Melcher K, Xu HE.

Science. 2012 Jan 6;335(6064):85-8. doi: 10.1126/science.1215106. Epub 2011 Nov 24.


Disorder-to-order transition underlies the structural basis for the assembly of a transcriptionally active PGC-1α/ERRγ complex.

Devarakonda S, Gupta K, Chalmers MJ, Hunt JF, Griffin PR, Van Duyne GD, Spiegelman BM.

Proc Natl Acad Sci U S A. 2011 Nov 15;108(46):18678-83. doi: 10.1073/pnas.1113813108. Epub 2011 Nov 2.


Identification and mechanism of 10-carbon fatty acid as modulating ligand of peroxisome proliferator-activated receptors.

Malapaka RR, Khoo S, Zhang J, Choi JH, Zhou XE, Xu Y, Gong Y, Li J, Yong EL, Chalmers MJ, Chang L, Resau JH, Griffin PR, Chen YE, Xu HE.

J Biol Chem. 2012 Jan 2;287(1):183-95. doi: 10.1074/jbc.M111.294785. Epub 2011 Oct 28.


Antidiabetic actions of a non-agonist PPARγ ligand blocking Cdk5-mediated phosphorylation.

Choi JH, Banks AS, Kamenecka TM, Busby SA, Chalmers MJ, Kumar N, Kuruvilla DS, Shin Y, He Y, Bruning JB, Marciano DP, Cameron MD, Laznik D, Jurczak MJ, Schürer SC, Vidović D, Shulman GI, Spiegelman BM, Griffin PR.

Nature. 2011 Sep 4;477(7365):477-81. doi: 10.1038/nature10383.


Ligand-dependent perturbation of the conformational ensemble for the GPCR β2 adrenergic receptor revealed by HDX.

West GM, Chien EY, Katritch V, Gatchalian J, Chalmers MJ, Stevens RC, Griffin PR.

Structure. 2011 Oct 12;19(10):1424-32. doi: 10.1016/j.str.2011.08.001. Epub 2011 Sep 1.


Methods for the Analysis of High Precision Differential Hydrogen Deuterium Exchange Data.

Chalmers MJ, Pascal BD, Willis S, Zhang J, Iturria SJ, Dodge JA, Griffin PR.

Int J Mass Spectrom. 2011 Apr 30;302(1-3):59-68.


DNA binding alters coactivator interaction surfaces of the intact VDR-RXR complex.

Zhang J, Chalmers MJ, Stayrook KR, Burris LL, Wang Y, Busby SA, Pascal BD, Garcia-Ordonez RD, Bruning JB, Istrate MA, Kojetin DJ, Dodge JA, Burris TP, Griffin PR.

Nat Struct Mol Biol. 2011 May;18(5):556-63. doi: 10.1038/nsmb.2046. Epub 2011 Apr 10.


The structural basis for recognition of base J containing DNA by a novel DNA binding domain in JBP1.

Heidebrecht T, Christodoulou E, Chalmers MJ, Jan S, Ter Riet B, Grover RK, Joosten RP, Littler D, van Luenen H, Griffin PR, Wentworth P Jr, Borst P, Perrakis A.

Nucleic Acids Res. 2011 Jul;39(13):5715-28. doi: 10.1093/nar/gkr125. Epub 2011 Mar 16.


Differential hydrogen/deuterium exchange mass spectrometry analysis of protein-ligand interactions.

Chalmers MJ, Busby SA, Pascal BD, West GM, Griffin PR.

Expert Rev Proteomics. 2011 Feb;8(1):43-59. doi: 10.1586/epr.10.109. Review.


Hydrogen/deuterium exchange reveals distinct agonist/partial agonist receptor dynamics within vitamin D receptor/retinoid X receptor heterodimer.

Zhang J, Chalmers MJ, Stayrook KR, Burris LL, Garcia-Ordonez RD, Pascal BD, Burris TP, Dodge JA, Griffin PR.

Structure. 2010 Oct 13;18(10):1332-41. doi: 10.1016/j.str.2010.07.007.


Anti-diabetic drugs inhibit obesity-linked phosphorylation of PPARgamma by Cdk5.

Choi JH, Banks AS, Estall JL, Kajimura S, Boström P, Laznik D, Ruas JL, Chalmers MJ, Kamenecka TM, Blüher M, Griffin PR, Spiegelman BM.

Nature. 2010 Jul 22;466(7305):451-6. doi: 10.1038/nature09291.


A novel cross-talk in diacylglycerol signaling: the Rac-GAP beta2-chimaerin is negatively regulated by protein kinase Cdelta-mediated phosphorylation.

Griner EM, Caino MC, Sosa MS, Colón-González F, Chalmers MJ, Mischak H, Kazanietz MG.

J Biol Chem. 2010 May 28;285(22):16931-41. doi: 10.1074/jbc.M109.099036. Epub 2010 Mar 24.


Dynamics of the beta2-adrenergic G-protein coupled receptor revealed by hydrogen-deuterium exchange.

Zhang X, Chien EY, Chalmers MJ, Pascal BD, Gatchalian J, Stevens RC, Griffin PR.

Anal Chem. 2010 Feb 1;82(3):1100-8. doi: 10.1021/ac902484p.


Modulation of retinoic acid receptor-related orphan receptor alpha and gamma activity by 7-oxygenated sterol ligands.

Wang Y, Kumar N, Solt LA, Richardson TI, Helvering LM, Crumbley C, Garcia-Ordonez RD, Stayrook KR, Zhang X, Novick S, Chalmers MJ, Griffin PR, Burris TP.

J Biol Chem. 2010 Feb 12;285(7):5013-25. doi: 10.1074/jbc.M109.080614. Epub 2009 Dec 4.


Unique ligand binding patterns between estrogen receptor alpha and beta revealed by hydrogen-deuterium exchange.

Dai SY, Burris TP, Dodge JA, Montrose-Rafizadeh C, Wang Y, Pascal BD, Chalmers MJ, Griffin PR.

Biochemistry. 2009 Oct 13;48(40):9668-76. doi: 10.1021/bi901149t.


Efficient methodology for the synthesis of 3-amino-1,2,4-triazoles.

Noël R, Song X, Jiang R, Chalmers MJ, Griffin PR, Kamenecka TM.

J Org Chem. 2009 Oct 2;74(19):7595-7. doi: 10.1021/jo9016502.


Apo-human carbonic anhydrase II revisited: implications of the loss of a metal in protein structure, stability, and solvent network.

Avvaru BS, Busby SA, Chalmers MJ, Griffin PR, Venkatakrishnan B, Agbandje-McKenna M, Silverman DN, McKenna R.

Biochemistry. 2009 Aug 11;48(31):7365-72. doi: 10.1021/bi9007512.


Identification of specific hemopexin-like domain residues that facilitate matrix metalloproteinase collagenolytic activity.

Lauer-Fields JL, Chalmers MJ, Busby SA, Minond D, Griffin PR, Fields GB.

J Biol Chem. 2009 Sep 4;284(36):24017-24. doi: 10.1074/jbc.M109.016873. Epub 2009 Jul 1.


HD desktop: an integrated platform for the analysis and visualization of H/D exchange data.

Pascal BD, Chalmers MJ, Busby SA, Griffin PR.

J Am Soc Mass Spectrom. 2009 Apr;20(4):601-10. doi: 10.1016/j.jasms.2008.11.019. Epub 2008 Dec 6.


Prediction of the tissue-specificity of selective estrogen receptor modulators by using a single biochemical method.

Dai SY, Chalmers MJ, Bruning J, Bramlett KS, Osborne HE, Montrose-Rafizadeh C, Barr RJ, Wang Y, Wang M, Burris TP, Dodge JA, Griffin PR.

Proc Natl Acad Sci U S A. 2008 May 20;105(20):7171-6. doi: 10.1073/pnas.0710802105. Epub 2008 May 12.


Partial agonists activate PPARgamma using a helix 12 independent mechanism.

Bruning JB, Chalmers MJ, Prasad S, Busby SA, Kamenecka TM, He Y, Nettles KW, Griffin PR.

Structure. 2007 Oct;15(10):1258-71.


A two-stage differential hydrogen deuterium exchange method for the rapid characterization of protein/ligand interactions.

Chalmers MJ, Busby SA, Pascal BD, Southern MR, Griffin PR.

J Biomol Tech. 2007 Sep;18(4):194-204.


Analysis of O-glycan heterogeneity in IgA1 myeloma proteins by Fourier transform ion cyclotron resonance mass spectrometry: implications for IgA nephropathy.

Renfrow MB, Mackay CL, Chalmers MJ, Julian BA, Mestecky J, Kilian M, Poulsen K, Emmett MR, Marshall AG, Novak J.

Anal Bioanal Chem. 2007 Nov;389(5):1397-407. Epub 2007 Aug 22.


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