Roth Lab - Publications

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Highlighted Recent Publications

2017
  1. Lansu Ka, Karpiak Ja, Liu J, Huang XP, McCorvy JD, Kroeze WK, Che T, Nagase H, Carroll FI, Jin J, Shoichet BK, Roth BL.
    a Co-first authors
    In silico design of novel probes for the atypical opioid receptor MRGPRX2. Nat Chem Biol. 2017 Mar 13. doi: 10.1038/nchembio.2334. [Epub ahead of print]
  1. Daniel Wackerab, Sheng Wanga, John D. McCorvya, Robin M. Betz, A.J. Venkatakrishnan, Anat Levit, Katherine Lansu, Zachary L. Schools, Tao Che, David E. Nichols, Brian K. Shoichet, Ron O. Drorb, Bryan L. Rothbc
    a Co-first authors
    b Co-corresonding
    c Lead Contact
    Crystal Structure of an LSD-Bound Human Serotonin Receptor. Cell 2017 Jan 26;168(3):377-389.e12. doi: 10.1016/j.cell.2016.12.033.
2016
  1. Kim Y, Lee HM, Xiong Y, Sciaky N, Hulbert SW, Cao X, Everitt JI, Jin J, Roth BL*, Jiang YH*
    *Co-corresonding authors
    Targeting the histone methyltransferase G9a activates imprinted genes and improves survival of a mouse model of Prader-Willi syndrome. Nature. Nat Med. 2016 Dec 26. doi: 10.1038/nm.4257. [Epub ahead of print]
  2. Aashish Manglik, Henry Lin, Dipendra K. Aryal, John D. McCorvy, Daniela Dengler, Gregory Corder, Anat Levit, Ralf C. Kling, Viachaslau Bernat, Harald Hübner, Xi-Ping Huang, Maria F. Sassano, Patrick M. Giguère, Stefan Löber, Da Duan,Grégory Scherrer, Brian K. Kobilka*, Peter Gmeiner*, Bryan L. Roth* & Brian K. Shoichet*
    * Co-corresponding authors
    Structure-based discovery of opioid analgesics with reduced side effects. Nature. 2016 Aug 17:1-6. doi: 10.1038/nature19112. [Epub ahead of print]
  3. Rennekamp AJ, Huang XP, Wang Y, Patel S, Lorello PJ, Cade L, Gonzales AP, Yeh JJ, Caldarone BJ,Roth BL, Kokel D, Peterson RT. σ1 receptor ligands control a switch between passive and active threat responses. Nat Chem Biol. 2016 May 30. doi: 10.1038/nchembio.2089. [Epub ahead of print]
  4. Bruni G, Rennekamp AJ, Velenich A, McCarroll M, Gendelev L, Fertsch E, Taylor J, Lakhani P, Lensen D, Evron T, Lorello PJ, Huang XP, Kolczewski S, Carey G, Caldarone BJ, Prinssen E, Roth BL, Keiser MJ, Peterson RT, Kokel D. Zebrafish behavioral profiling identifies multitarget antipsychotic-like compounds. Nature Chem Biol. 2016 May 30. doi: 10.1038/nchembio.2097. [Epub ahead of print]
  5. Wacker D and Roth BL An alerting structure: human orexin receptor 1. Nat Struct Mol Biol. 23(4):265-266. doi: 10.1038/nsmb.3198, 2016 Apr 5
  6. Roth BL DREADDs for Neuroscientists. Neuron 89(4):683-694. doi:10.1016/j.neuron, 2016 Feb 17
  7. MR Bruchas and BL Roth New technologies for elucidating opioid receptor function. Trends in Pharmacological Sciences. doi:10.1016/j.tips.2016.01.001, 2016 Jan 29
  8. Stuckey JI, Dickson BM, Cheng N, Liu Y, Norris JL, Cholensky SH, Tempel W, Qin S, Huber KG, Sagum C, Black K, Li F, Huang XP, Roth BL, Baughman BM, Senisterra G, Pattenden SG, Vedadi M, Brown PJ, Bedford MT, Min J, Arrowsmith CH, James LI, Frye SV. A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1. Nat Chem Biol. 10.1038/nchembio.2007, 2016 Jan 25
2015
  1. Xi-Ping Huang, Joel Karpiak, Wesley K. Kroeze, Hu Zhu, Xin Chen, Sheryl S. Moy, Kara A. Saddoris, Viktoriya D. Nikolova, Martilias S. Farrell, Sheng Wang, Thomas J. Mangano, Deepak A. Deshpande, Alice Jiang, Raymond B. Penn, Jian Jin, Beverly H. Koller, Terry Kenakin, Brian K. Shoichet & Bryan L. Roth.Allosteric ligands for the pharmacologically dark receptors GPR68 and GPR65 Nature doi:10.1038/nature15699, 2015 Nov 09
  2. Elkins JM, Fedele V, Szklarz M, Abdul Azeez KR, Salah E, Mikolajczyk J, Romanov S, Sepetov N, Huang XP, Roth BL, Al Haj Zen A, Fourches D, Muratov E, Tropsha A, Morris J, Teicher BA, Kunkel M, Polley E, Lackey KE, Atkinson FL, Overington JP, Bamborough P, Müller S, Price DJ, Willson TM, Drewry DH, Knapp S, Zuercher WJ.Comprehensive characterization of the Published Kinase Inhibitor Set. Nature Biotechnol, doi: 10.1038/nbt.3374, 2015 Oct 26
  3. Arrowsmith CH, Audia JE, Austin C, Baell J, Bennett J, Blagg J, Bountra C, Brennan PE, Brown PJ, Bunnage ME, Buser-Doepner C, Campbell RM, Carter AJ, Cohen P, Copeland RA, Cravatt B, Dahlin JL, Dhanak D, Edwards AM, Frederiksen M, Frye SV, Gray N, Grimshaw CE, Hepworth D, Howe T, Huber KV, Jin J, Knapp S, Kotz JD, Kruger RG, Lowe D, Mader MM, Marsden B, Mueller-Fahrnow A, Müller S, O'Hagan RC, Overington JP, Owen DR, Rosenberg SH, Roth BL, Ross R, Schapira M, Schreiber SL, Shoichet B, Sundström M, Superti-Furga G, Taunton J, Toledo-Sherman L, Walpole C, Walters MA, Willson TM, Workman P, Young RN, Zuercher WJ. The promise and peril of chemical probes. Nature Chem Biol., 11(8):536-41. doi: 10.1038/nchembio.1867, 2015 Aug.
  4. Vardy E, Robinson JE, Li C, Olsen RH, DiBerto JF, Giguere PM, Sassano FM, Huang XP, Zhu H, Urban DJ, White KL, Rittiner JE, Crowley NA, Pleil KE, Mazzone CM, Mosier PD, Song J, Kash TL, Malanga CJ, Krashes MJ, Roth BL. A New DREADD facilitates the multiplexed chemogenetic interrogation of behavior. Neuron, 86: 936-46, 2015.
  5. Kroeze WK, Sassano MF, Huang XP, Lansu K, McCorvy JD, Giguère PM, Sciaky N, Roth BL. PRESTO-Tango as an open-source resource for interrogation of the druggable human GPCRome. Nature Struct Mol Biol. 22: 362-369, 2015.
  6. Fenalti G, Zatsepin NA, Betti C, Giguere P, Han GW, Ishchenko A, Liu W, Guillemyn K, Zhang H, James D, Wang D, Weierstall U, Spence JC, Boutet S, Messerschmidt M, Williams GJ, Gati C, Yefanov OM, White TA, Oberthuer D, Metz M, Yoon CH, Barty A, Chapman HN, Basu S, Coe J, Conrad CE, Fromme R, Fromme P, Tourwé D, Schiller PW, Roth BL, Ballet S, Katritch V, Stevens RC, Cherezov V. Structural basis for bifunctional peptide recognition at human δ-opioid receptor. Nature Struct Mol Bio. 22: 265-268, 2015
2014
  1. Wang C, Wu H, Evron T, Vardy E, Han GW, Huang XP, Mangano TJ, Urban DJ, Katrich, V, Cherezov V, Caron MG, Roth BL and Stevens RC 2014. Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs. Nature Commun 5:4355 2014
  2. Fenalti G, Giguere PM, Katritch V, Huang XP, Thompson AA, Cherezov V, Roth BL* and Stevens RC*. Molecular control of δ-opioid receptor signalling. Nature 506(7487):191-6, 2014 (*Corresponding authors)
2013
  1. Vardy E, Roth BL. 2013. Conformational ensembles in GPCR activation. Cell 152: 385-6
  2. Wacker D, Wang C, Katritch V, Han GW, Huang XP, Vardy E, McCorvy JD, Jiang Y, Chu M, Siu FY, Liu W, Xu HE, Cherezov V, Roth BL*, Stevens RC*. Structural features for functional selectivity at serotonin receptors. Science 340: 615-9, 2013 (*Corresponding authors)
  3. Lin H, Sassano MF, Roth BL*, Shoichet BK*. 2013. A pharmacological organization of G protein-coupled receptors. Nature Methods 10: 140-6, 2013 (*Corresponding authors)
  4. Wang C, Jiang Y, Ma J, Wu H, Wacker D, Katritch V, Han GW, Liu W, Huang XP, Vardy E, McCorvy JD, Gao X, Zhou XE, Melcher K, Zhang C, Bai F, Yang H, Yang L, Jiang H, Roth BL, Cherezov V, Stevens RC, Xu HE. Structural basis for molecular recognition at serotonin receptors. Science 340: 610-4, 2013
  5. Wang C, Wu H, Katritch V, Han GW, Huang XP, Liu W, Siu FY, Roth BL, Cherezov V, Stevens RC. Structure of the human smoothened receptor bound to an antitumour agent. Nature 497(7449):338-43. doi: 10.1038/nature12167. Epub 2013 May 1. 2013 May 16.
2012
  1. Roth, B.L., and Marshall, F.H. NOBEL 2012 Chemistry: Studies of a ubiquitous receptor family. Nature 492, 57, 2012
  2. Wu H, Wacker D, Mileni M, Katritch V, Han GW, Vardy E, Liu W, Thompson AA, Huang XP, Carroll FI, Mascarella SW, Westkaemper RB, Mosier PD, Roth BL, Cherezov V and Stevens RC (2012) Structure of the human κ-opioid receptor in complex with JDTic. Nature 485: 327-332, 2012.
  3. Besnard J, Ruda GF, Setola V, Abecassis K, Rodriguiz RM, Huang XP, Norval S, Sassano MF, Shin AI, Webster LA, Simeons FR, Stojanovski L, Prat A, Seidah NG, Constam DB, Bickerton GR, Read KD, Wetsel WC, Gilbert IH, Roth BL*, Hopkins AL*. Automated design of ligands to polypharmacological profiles. Nature 492: 215-220, 2012 (*Corresponding authors)
  4. Thompson AA, Liu W, Chun E, Katritch V, Wu H, Vardy E, Huang XP, Trapella C, Guerrini R, Calo G, Roth BL, Cherezov V, Stevens RC. Structure of the nociceptin/orphanin FQ receptor in complex with a peptide mimetic. Nature 485(7398):395-9, 2012 May 16

Older Foundation Papers

  1. Huang, H-S, Allen JA, Mabb AM, King IF, Miriyala J, Taylor B, Sciaky N, Dutton JW, Lee H-M, Chen X, Jin J, Bridges AS, Zylka MJ*, Roth BL* and Philpot BD*. Topoisomerase inhibitors unsilence the dormant allele of Ube3a in neurons. Nature 481: 185-189, 2011 (*Corresponding authors)
  2. Keiser MJ, Setola V, Irwin JJ, Laggner C, Abbas AI, Hufeisen SJ, Jensen NH, Kuijer MB, Matos RC, Tran TB, Whaley R, Glennon RA, Hert J, Thomas KL, Edwards DD, Shoichet BK*, Roth BL*. Predicting new molecular targets for known drugs. Nature. Nov 12;462(7270):175-81, 2009 (*Corresponding authors)
  3. Alexander GM, Rogan SC, Abbas AI, Armbruster BN, Pei Y, Allen JA, Nonneman RJ, Hartmann J, Moy SS, Nicolelis MA, McNamara JO, Roth BL. Remote control of neuronal activity in transgenic mice expressing evolved G protein-coupled receptors. Neuron. Jul 16;63(1):27-39, 2009.
  4. BN Armbruster, X Li, S Herlitzer, M Pausch and BL Roth. Evolving the lock to fit the key to create a family of G protein-coupled receptors potently activated by an inert ligand.. Proc Natl Acad Sci 104(12):5163-8, 2007.
  5. Keiser MJ, Roth BL, Armbruster BN, Ernsberger P, Irwin JJ, Shoichet BK. Relating protein pharmacology by ligand chemistry. Nature Biotechnol. 2007 Feb;25(2):197-206.
  6. BL Roth, K Baner, RB Westkaemper, KC Rice, S Steinberg, P Ernsberger, and RB Rothman. Salvinorin A: a potent naturally occurring nonnitrogenous kappa opioid selective agonist. Proc Natl Acad Sci USA, 99: 11934-11939, 2002.
  7. RB Rothman, MH Baumann, JE Savage, L Rauser, A McBride, S Hufisein and BL Roth. Evidence for possible involvement of 5-HT(2B) receptors in the cardiac valvulopathy associated with fenfluramine and other serotonergic medications.Circulation. 102(23):2836-41, 2000.

Recent Reviews

  1. Urban DJ and Roth BL. DREADDs (designer receptors exclusively activated by designer drugs): chemogenetic tools with therapeutic utility. Ann Rev Pharmacol Toxicol 55: 399-417, 2015.
  2. Sternson SM and Roth BL. Chemogenetic tools to interrogate brain functions. Ann Rev Neurosi 37: 387-407, 2014
  3. Giguere PM, Kroeze WK and Roth BL. Tuning up the right signal: chemical and genetic approaches to study GPCR functions. Curr Opin Cell Biol 27: 51-55, 2014.
  4. Zhu H and Roth BL. Silencing synapses with DREADDs. Neuron 82: 723-725, 2014.
  5. Allen JA and Roth BL. Strategies to discover unexpected targets for drugs active at G protein-coupled receptors. Ann Rev Pharmacol Toxicol 51: 117-144, 2011.
  6. Berger M, Gray JA and Roth BL. The expanded biology of serotonin. Ann Rev Med 60: 355-366, 2009.
  7. Roth BL. Drugs and valvular heart disease. New England Journal of Medicine 356: 6-9, 2007.