List of Publications:


  1. Motiwala Z., Aduri N. G., Shaye H., Han G. W., Lam J. H., Katritch V., Cherezov V., Gati C. Structural basis of GABA reuptake inhibition. Nature 606, 820–826 Nature>>

  2. El Daibani A., Paggi J., Kim K., Laloudakis Y., Popov P., Bernhard S., Olsen R. H., Diberto J., Katritch V., Wunsch B., Dror R. Structure Insights into Biased Signaling of kappa Opioid Receptor The FASEB Journal, 36 The FASEB Journal>>

  3. Yang C., Li J., Deng Z., Luo S., Liu J., Fang W., Liu F., Liu T., Zhang X., Zhang Y., Meng Z., Zhang S., Luo J., Liu C., Yang D., Liu L., Sukhova G. K., Sadybekov A., Katritch V., Libby P., Wang J., Guo J., Shi G. P. Eosinophils protect pressure overload- and β-adrenoreceptor agonist-induced cardiac hypertrophy Cardiovasc Res. doi: 10.1093/cvr/cvac060 Cardiovasc Res>>

  4. Nazarova A. L., Katritch V. It all clicks together: In silico drug discovery becoming mainstream Clin Transl Med. 2022;12:e766. Clin Transl Med>>

  5. Kay Y., Tsan L., Davis E. A., Tian C., Décarie-Spain L., Sadybekov A., Pushkin A. N., Katritch V., Kanoski S. E., Herring B. E. Schizophrenia-associated SAP97 mutations increase glutamatergic synapse strength in the dentate gyrus and impair contextual episodic memory in rats Nat Commun. 13, 798 Nat Commun>>

  6. Sadybekov A. A., Sadybekov A. V., Liu Y., Iliopoulos-Tsoutsouvas C., Huang X. P., Pickett J., Houser B., Patel N., Tran N. K., Tong F., Zvonok N., Jain M. K., Savych O., Radchenko D. S., Nikas S. P., Petasis N. A., Moroz Y. S., Roth B. L., Makriyannis A., Katritch V. Synthon-based ligand discovery in virtual libraries of over 11 billion compounds Nature, 601, 452-459 Nature>>
    Nature | News&Views >>
    Nature Reviews Drug Discovery | Highlights >>
    Science Magazine | In the Pipeline >>


  1. Battiti F. O., Zaidi S. A., Katritch V., Newman A. H., Bonifazi A. Chiral Cyclic Aliphatic Linkers as Building Blocks for Selective Dopamine D 2 or D 3 Receptor Agonists J Med Chem. doi: 10.1021/acs.jmedchem.1c01433. J Med Chem>>

  2. Michaelian N., Sadybekov A., Besserer-Offroy É., Han G. W., Krishnamurthy H., Zamlynny B. A., Fradera X., Siliphaivanh P., Presland J., Spencer K. B., Soisson S. M., Popov P., Sarret P., Katritch V., Cherezov V. Structural insights on ligand recognition at the human leukotriene B4 receptor 1 Nat Commun. DOI: 10.1038/s41467-021-23149-1. Nat Commun>>

  3. Bonifazi A., Battiti F. O., Sanchez J., Zaidi S. A., Bow E., Makarova M., Cao J., Shaik A. B., Sulima A., Rice K. C., Katritch V., Canals M., Lane J. R., Newman A. H. Novel Dual-Target μ-Opioid Receptor and Dopamine D 3 Receptor Ligands as Potential Nonaddictive Pharmacotherapeutics for Pain Management J Med Chem. DOI: 10.1021/acs.jmedchem.1c00611. J Med Chem>>

  4. Zaidi S. A., Katritch V. Structural Characterization of KOR Inactive and Active States for 3D Pharmacology and Drug Discovery Handb Exp Pharmacol. DOI: 10.1007/164_2021_461 Handb Exp Pharmacol>>

  5. Uprety R., Che T., Zaidi S. A., Grinnell S. G., Varga B. R., Faouzi A., Slocum S. T., Allaoa A., Varadi A., Nelson M., Bernhard S. M., Kulko E., LeRouzic V., Eans S. O., Simons C. A., Hunkele A., Subrath J., Pan Y. X., Javitch J. A., McLaughlin J. P., Roth B. L., Pasternak G. W., Katritch V., Majumdar S. Controlling Opioid Receptor Functional Selectivity by Targeting Distinct Subpockets of the Orthosteric Site DOI: 10.7554/eLife.56519 eLife>>

  6. Sarott R., Viray A. E. G., Pfaff P., Sadybekov A., Rajic G., Katritch V., Carreira E., Frank J. Optical Control of Cannabinoid Receptor 2–Mediated Ca2+ Release Enabled By Synthesis of Photoswitchable Probes. JACS 143, 2, 736-743 JACS>>


  1. Sadybekov A. A., Brouillette R. L., Marin E., Sadybekov A. V., Luginina A., Gusach A., Mishin A., Besserer-Offroy É., Longpré J. M., Borshchevskiy V., Cherezov V., Sarret P., Katritch V. Structure-Based Virtual Screening of Ultra-Large Library Yields Potent Antagonists for a Lipid GPCR Biomolecules 10, 1634 Biomolecules>>

  2. Daley E. J., Khatri A., Dean T., Vilardaga J. P., Zaidi S. A., Katritch V., Gardella T. J. Ligand-Dependent Effects of Methionine-8 Oxidation in Parathyroid Hormone Peptide Analogs. Endocrinology. doi:10.1210/endocr/bqaa216 Endocrinology>>

  3. Shaye H., Ishchenko A., Lam J.H., Han G. W., Xue L., Rondard P., Pin J. P., Katritch V., Gati C., Cherezov V. Structural basis of the activation of a metabotropic GABA receptor. Nature 584, 298-303 Nature>>

  4. Sadybekov A., Katritch V. Breaking the Enigma Code of Angiotensin II Type 2 Receptor Signaling. Structure, 28, 390-392. Structure>>

  5. Lamichhane R., Liu J. J., White K. L., Katritch V., Stevens R. C., Wüthrich K., Millar D. P. Biased Signaling of the G-Protein-Coupled Receptor β2AR Is Governed by Conformational Exchange Kinetics. Structure. 28 (3), 371-377. Structure>>

  6. Patel N., Huang X. P., Grandner J., Johansson L. C., Stauch B., McCorvy J. D., Liu Y., Roth B., Katritch V. Structure-based discovery of potent and selective melatonin receptor agonists. Elife. 2020,9. pii: e53779. Elife>>


  1. Gusach A., Luginina A., Marin E., Brouillette R. L., Besserer-Offroy É., Longpré J. M., Ishchenko A., Popov P., Patel N., Fujimoto T., Maruyama T., Stauch B., Ergasheva M., Romanovskaia D., Stepko A., Kovalev K., Shevtsov M., Gordeliy V., Han G. W., Katritch V., Borshchevskiy V., Sarret P., Mishin A., Cherezov V. Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors. Nat Commun. 10(1):5573 Nat Commun>>

  2. Claff T., Yu J., Blais V., Patel N., Martin C., Wu L., Han G. W., Holleran B. J., Van der Poorten O., White K. L., Hanson M. A., Sarret P., Gendron L., Cherezov V., Katritch V., Ballet S., Liu Z. J., Müller C. E., Stevens R. C. Elucidating the active δ-opioid receptor crystal structure with peptide and small-molecule agonists. Sci Adv. 5(11): eaax9115. Sci Adv>>

  3. Luginina A., Gusach A., Marin E., Mishin A., Brouillette R., Popov P., Shiriaeva A., Besserer-Offroy E., Longpré J. M., Lyapina E., Ishchenko A., Patel N., Polovinkin V., Safronova N., Bogorodskiy A., Edelweiss E., Hu H., Weierstall U., Liu W., Batyuk A., Gordeliy V., Han G. W., Sarret P., Katritch V., Borshchevskiy V., and Cherezov V. Structure-based mechanism of cysteinyl leukotriene receptor inhibition by antiasthmatic drugs. Sci Adv. 5(10): eaax2518. Sci Adv.>>

  4. Zarzycka B., Zaidi S. A., Roth B. L., Katritch V. Harnessing Ion-Binding Sites for GPCR Pharmacology. Pharmacol Rev.71(4), 571-595 Pharmacol Rev>>

  5. Levine P. M., Balana A. J., Sturchler E., Koole C., Noda H., Zarzycka B., Daley E. J., Truong T. T., Katritch V., Gardella T. J., Wootten D., Sexton P. M., McDonald P., Pratt M. R. O-GlcNAc engineering of GPCR peptide-agonists improves their stability and in vivo activity. doi: 10.1021/jacs.9b05365. JACS>>

  6. Stauch B., Johansson L. C., McCorvy J. D., Patel N., Han G. W., Huang X. P., Gati C., Batyuk A., Slocum S. T., Ishchenko A., Brehm W., White T. A., Michaelian N., Madsen C., Zhu L., Grant T. D., Grandner J. M., Shiriaeva A., Olsen R. H. J., Tribo A. R., Yous S., Stevens R. C., Weierstall U., Katritch V., Roth B. L., Liu W., Cherezov V. Structural basis of ligand recognition at the human MT1 melatonin receptor. Nature. 569(7755), 284-288. Nature>>

  7. Johansson L. C., Stauch B., McCorvy J. D., Han G. W., Patel N., Huang X. P., Batyuk A., Gati C., Slocum S. T., Li C., Grandner J. M., Hao S., Olsen R. H. J., Tribo A. R., Zaare S., Zhu L., Zatsepin N. A., Weierstall U., Yous S., Stevens R. C., Liu W., Roth B. L., Katritch V., Cherezov V. XFEL structures of the human MT2 melatonin receptor reveal the basis of subtype selectivity. Nature. 569(7755), 289-292 Nature>>

  8. Popov P., Kozlovskii I., Katritch V. Computational design for thermostabilization of GPCRs. Curr Opin Struct Biol., 55, 25-33. ScienceDirect>>

  9. Seidel L., Zarzycka B., Katritch V., Coin I. Exploring Pairwise Chemical Crosslinking To Study Peptide-Receptor Interactions. Chembiochem., 20(5), 683-692. PubMed>>

  10. Li X., Hua T., Vemuri K., Ho J. H., Wu Y., Wu L., Popov P., Benchama O., Zvonok N., Locke K., Qu L., Han G. W., Iyer M. R., Cinar R., Coffey N. J., Wang J., Wu M., Katritch V., Zhao S., Kunos G., Bohn L. M., Makriyannis A., Stevens R. C., Liu Z. J. Crystal Structure of the Human Cannabinoid Receptor CB2 Cell, doi: 10.1016/j.cell.2018.12.011. ScienceDirect>>

  11. Audet M., White K. L., Breton B., Zarzycka B., Han G. W., Lu Y., Gati C., Batyuk A., Popov P., Velasquez J., Manahan D., Hu H., Weierstall U., Liu W., Shui W., Katritch V., Cherezov V., Hanson M. A., Stevens R. C. Crystal structure of misoprostol bound to the labor inducer prostaglandin E2 receptor. Nat Chem Biol., 15, 11-17. Nat Chem Biol>>


  1. Ye W., Tu Y. H., Cooper A. J., Zhang Z., Katritch V., Liman E. R. Activation Stoichiometry and Pore Architecture of TRPA1 Probed with Channel Concatemers. Sci Rep, 8, 17104. Sci Rep>>

  2. Yang S., Wu Y., Xu T. H., de Waal P. W., He Y., Pu M., Chen Y., DeBruine Z. J., Zhang B., Zaidi S. A., Popov P., Guo Y., Han G. W., Lu Y., Suino-Powell K., Dong S., Harikumar K. G., Miller L. J., Katritch V., Xu H. E., Shui W., Stevens R. C., Melcher K., Zhao S., Xu F. Crystal structure of the Frizzled 4 receptor in a ligand-free state. Nature, 560, 666-670. Nature>>

  3. Popov P., Peng Y., Shen L., Stevens R. C., Cherezov V., Liu Z. J., Katritch V. Computational design of thermostabilizing point mutations for G protein-coupled receptors. Elife. pii: e34729. doi: 10.7554/eLife.34729. eLife>>

  4. Eddy M. T., Gao Z. G., Mannes P., Patel N., Jacobson K. A., Katritch V., Stevens R. C., Wüthrich K. Extrinsic Tryptophans as NMR Probes of Allosteric Coupling in Membrane Proteins: Application to the A2A Adenosine Receptor. J Am Chem Soc. doi: 10.1021/jacs.8b03805 JACS>>

  5. Tian C., Kay Y., Sadybekov A., Rao S., Katritch V., Herring B. E. An intellectual disability-related missense mutation in Rac1 prevents LTP induction Front. Mol. Neurosci. doi: 10.3389/fnmol.2018.00223 Front. Mol. Neurosci.>>

  6. Fyfe T. J., Zarzycka B., Lim H. D., Kellam B., Mistry S. N., Katrich V., Scammells P. J., Lane J. R., Capuano B. A Thieno[2,3- d]pyrimidine Scaffold Is a Novel Negative Allosteric Modulator of the Dopamine D2 Receptor. J Med Chem. doi: 10.1021/acs.jmedchem.7b01565 J. Med. Chem.>>

  7. An Interview with Vsevolod “Seva” Katritch. Trends Pharmacol Sci., 39, 93-95. Cell >>

  8. Peng Y., McCorvy J. D., Harpsøe K., Lansu K., Yuan S., Popov P., Qu L., Pu M., Che T., Nikolajsen L. F., Huang X. P., Wu Y., Shen L., Bjørn-Yoshimoto W. E., Ding K., Wacker D., Han G. W., Cheng J., Katritch V., Jensen A. A., Hanson M. A., Zhao S., Gloriam D. E., Roth B. L., Stevens R. C., Liu Z. J. 5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology. Cell, 172, 719-730. PubMed >>

  9. White K. L., Eddy M. T., Gao Z. G., Han G. W., Lian T., Deary A., Patel N., Jacobson K. A., Katritch V., Stevens R. C. Structural Connection between Activation Microswitch and Allosteric Sodium Site in GPCR Signaling. Structure, 26, 259-269. PubMed >>

  10. Che T., Majumdar S., Zaidi S. A., Ondachi P., McCorvy J. D., Wang S., Mosier P. D., Uprety R., Vardy E., Krumm B. E., Han G. W., Lee M. Y., Pardon E., Steyaert J., Huang X. P., Strachan R. T., Tribo A. R., Pasternak G. W., Carroll F. I., Stevens R. C., Cherezov V., Katritch V., Wacker D., Roth B. L. Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor. Cell, 172, 55-67. PubMed >>

  11. Vickery O. N., Carvalheda C. A., Zaidi S. A., Pisliakov A. V., Katritch V., Zachariae U. Intracellular Transfer of Na+ in an Active-State G-Protein-Coupled Receptor. Structure, 26, 171-180. PubMed >>


  1. Roach J. J., Sasano Y., Schmid C. L., Zaidi S., Katritch V., Stevens R. C., Bohn L. M., Shenvi R. A. Dynamic Strategic Bond Analysis Yields a Ten-Step Synthesis of 20-nor-Salvinorin A, a Potent κ-OR Agonist. ACS Cent Sci, 3, 1329-1336. PubMed >>

  2. Westphal M. V., Schafroth M. A., Sarott R. C., Imhof M. A., Bold C. P., Leippe P., Dhopeshwarkar A., Grandner J. M., Katritch V., Mackie K., Trauner D., Carreira E. M., Frank J. A. Synthesis of Photoswitchable Δ9-Tetrahydrocannabinol Derivatives Enables Optical Control of Cannabinoid Receptor 1 Signaling. J Am Chem Soc, 139, 18206-18212. PubMed >>

  3. Sadybekov A., Tian C., Arnesano C., Katritch V., Herring B. E. An autism spectrum disorder-related de novo mutation hotspot discovered in the GEF1 domain of Trio. Nat Commun, 8, 601. Nat Commun >>

  4. Seidel L., Zarzycka B., Zaidi S. A., Katritch V.*, Coin I. Structural insight into the activation of a class B G-protein-coupled receptor by peptide hormones in live human cells. eLife, doi: 10.7554/eLife.27711 eLife >>

  5. Ishchenko A., Wacker D., Kapoor M., Zhang A., Han G. W., Basu S., Patel N., Messerschmidt M., Weierstall U., Liu W., Katritch V., Roth B. L., Stevens R. C., Cherezov V. Structural insights into the extracellular recognition of the human serotonin 2B receptor by an antibody. PNAS, 114, 8223-8228. PNAS >>

  6. Zhang H., Han G. W., Batyuk A., Ishchenko A., White K. L., Patel N., Sadybekov A., Zamlynny B., Rudd M. T., Hollenstein K., Tolstikova A., White T. A., Hunter M. S., Weierstall U., Liu W., Babaoglu K., Moore E. L., Katz R. D., Shipman J. M., Garcia-Calvo M., Sharma S., Sheth P., Soisson S. M., Stevens R. C., Katritch V.*, Cherezov V. Structural basis for selectivity and diversity in angiotensin II receptors. Nature, 544, 327-332. PubMed >>
    ScienceDaily >>
    USC News >>
    Nature | News&Views >>
    Science Signaling | Papers of Note >>

  7. Zheng Z., Huang X. P., Mangano T. J., Zou R., Chen X., Zaidi S. A., Roth B. L., Stevens R. C., Katritch V.* Structure-based discovery of new antagonist and biased agonist chemotypes for the kappa opioid receptor. J Med Chem, 60, 3070-3081. PubMed >>


  1. Batyuk A., Galli L., Ishchenko A., Han G. W., Gati C., Popov P. A., Lee M. Y., Stauch B., White T. A., Barty A., Aquila A., Hunter M. S., Liang M., Boutet S., Pu M., Liu Z. J., Nelson G., James D., Li C., Zhao Y., Spence J. C., Liu W., Fromme P., Katritch V., Weierstall U., Stevens R. C., Cherezov V. Native phasing of X-ray free-electron laser data for a G protein-coupled receptor. Sci Adv, 2, e1600292. PubMed >>

  2. Mishin A. V., Luginina A. P., Potapenko A. P., Borshchevskiy V. I., Katritch V., Edelweiss E., Okhrimenko I. S., Gordeliy V. I., Cherezov V. G. Expression and purification of an engineered human endothelin receptor B in a monomeric form. Dokl Biochem Biophys, 467, 157-161. PubMed >>

  3. Lv X., Liu J., Shi Q., Tan Q., Wu D., Skinner J. J., Walker A. L., Zhao L., Gu X., Chen N., Xue L., Si P., Zhang L., Wang Z., Katritch V., Liu Z. J., Stevens R. C. In vitro expression and analysis of the 826 human G protein-coupled receptors. Protein & cell, 7, 325-337. PubMed >>


  1. Lamichhane R., Liu J. J., Pljevaljcic G., White K. L., van der Schans E., Katritch V., Stevens R. C., Wuthrich K., Millar D. P. Single-molecule view of basal activity and activation mechanisms of the g protein-coupled receptor β2AR. Proc Natl Acad Sci USA, 112, 14254-14259. PubMed >>

  2. Miller R. L., Thompson A. A., Trapella C., Guerrini R., Malfacini D., Patel N., Han G. W., Cherezov V., Calo G., Katritch V., Stevens R. C. The importance of ligand-receptor conformational pairs in stabilization: Spotlight on the N/OFQ G protein-coupled receptor. J Biol Chem, 290, 29127-29139. PubMed >>

  3. Zhang H., Unal H., Desnoyer R., Han G. W., Patel N., Katritch V., Karnik S. S., Cherezov V., Stevens R. C. Structural basis for ligand recognition and functional selectivity at angiotensin receptor. Structure, 23, 2291-2299. PubMed >>

  4. Kiselev E., Balasubramanian R., Uliassi E., Brown K. A., Trujillo K., Katritch V., Hammes E., Stevens R. C., Harden T. K., Jacobson K. A. Design, synthesis, pharmacological characterization of a fluorescent agonist of the P2Y14 receptor. Bioorg Med Chem Lett, 25, 4733-4739. PubMed >>

  5. Paoletta S., Sabbadin D., von Kugelgen I., Hinz S., Katritch V., Hoffmann K., Abdelrahman A., Strassburger J., Baqi Y., Zhao Q., Stevens R. C., Moro S., Muller C. E., Jacobson K. A. Modeling ligand recognition at the P2Y12 receptor in light of X-ray structural information. J Comput Aided Mol Des, 29, 737-756. PubMed >>

  6. Zhang H., Unal H., Gati C., Han G. W., Liu W., Zatsepin N. A., James D., Wang D., Nelson G., Weierstall U., Sawaya M. R., Xu Q., Messerschmidt M., Williams G. J., Boutet S., Yefanov O. M., White T. A., Wang C., Ishchenko A., Tirupula K. C., Desnoyer R., Coe J., Conrad C. E., Fromme P., Stevens R. C., Katritch V., Karnik S. S., Cherezov V. Structure of the angiotensin receptor revealed by serial femtosecond crystallography. Cell, 161, 833-844. PubMed >>

  7. Jacobson K. A., Paoletta S., Katritch V., Wu B., Gao Z. G., Zhao Q., Stevens R. C., Kiselev E. Nucleotides acting at P2Y receptors: Connecting structure and function. Mol Pharmacol 88, 220-230. PubMed >>

  8. Zhang D., Gao Z. G., Zhang K., Kiselev E., Crane S., Wang J., Paoletta S., Yi C., Ma L., Zhang W., Han G. W., Liu H., Cherezov V., Katritch V., Jiang H., Stevens R. C., Jacobson K. A., Zhao Q., Wu B. Two disparate ligand-binding sites in the human P2Y1 receptor. Nature 520, 317-321. PubMed >>

  9. Kang Y, Zhou XE, Gao X, He Y, Liu W, Ishchenko A, Barty A, White TA, Yefanov O, Han GW, Xu Q, de Waal PW, Ke J, Tan MH, Zhang C, Moeller A, West GM, Pascal BD, Van Eps N, Caro LN, Vishnivetskiy SA, Lee RJ, Suino-Powell KM, Gu X, Pal K, Ma J, Zhi X, Boutet S, Williams GJ, Messerschmidt M, Gati C, Zatsepin NA, Wang D, James D, Basu S, Roy-Chowdhury S, Conrad CE, Coe J, Liu H, Lisova S, Kupitz C, Grotjohann I, Fromme R, Jiang Y, Tan M, Yang H, Li J, Wang M, Zheng Z, Li D, Howe N, Zhao Y, Standfuss J, Diederichs K, Dong Y, Potter CS, Carragher B, Caffrey M, Jiang H, Chapman HN, Spence JC, Fromme P, Weierstall U, Ernst OP, Katritch, V., Gurevich VV, Griffin PR, Hubbell WL, Stevens RC, Cherezov V, Melcher K, Xu HE, Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser. Nature, doi:10.1038/nature14656. PubMed >>

  10. E. Vardy, M. F. Sassano, A. J. Rennekamp, W. K. Kroeze, P. D. Mosier, R. B. Westkaemper, C. W. Stevens, V. Katritch , R. C. Stevens, R. T. Peterson, B. L. Roth, Single Amino Acid Variation Underlies Species-Specific Sensitivity to Amphibian Skin-Derived Opioid-like Peptides. Chem Biol 22, 764-775. PubMed >>

  11. Massink, A., Gutierrez-de-Teran, H., Lenselink, E.B., Ortiz Zacarias, N.V., Xia, L., Heitman, L.H., Katritch, V., Stevens, R.C., and AP, I.J. (2015). Sodium Ion Binding Pocket Mutations and Adenosine A2A Receptor Function. Mol Pharmacol 87, 305-313. PubMed >>

  12. 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. (2015) Structural basis for bifunctional peptide recognition at human delta-opioid receptor. Nat Struct Mol Biol 22: 265-268. PubMed >>

  13. Isberg, V., de Graaf, C., Bortolato, A., Cherezov, V., Katritch, V., Marshall, F.H., Mordalski, S., Pin, J.P., Stevens, R.C., Vriend, G., and D.E. Gloriam (2015). Generic GPCR residue numbers - aligning topology maps while minding the gaps. Trends Pharmacol Sci 36, 22-31. PubMed >>


  1. Katritch, V.*, Fenalti, G., Abola, E.E., Roth, B.L., Cherezov, V., and Stevens, R.C. (2014). Allosteric sodium in class A GPCR signaling. Trends Biochem Sci 39, 233-244. PubMed >>

  2. Kiselev E, Barrett MO, Katritch V, Paoletta S, Weitzer CD, Brown KA, Hammes E, Yin AL, Zhao Q, Stevens RC, Harden TK, Jacobson KA (2014). Exploring a 2-Naphthoic Acid Template for the Structure-Based Design of P2Y14 Receptor Antagonist Molecular Probes. ACS chemical biology 9, 2833-2842. PubMed >>

  3. Kufareva, I., Katritch, V., Participants of GPCR Dock 2013, Stevens, R.C., and Abagyan, R. (2014). Advances in GPCR modeling evaluated by the GPCR Dock 2013 assessment: meeting new challenges. Structure 22, 1120-1139. PubMed >>

  4. Massink, A., Gutierrez-de-Teran, H., Lenselink, E.B., Ortiz Zacarias, N.V., Xia, L., Heitman, L.H., Katritch, V., Stevens, R.C., and AP, IJzerman. (2015). Sodium Ion Binding Pocket Mutations and Adenosine A2A Receptor Function. Mol Pharmacol 87, 305-313. PubMed >>

  5. Wang C, Wu H, Evron T, Vardy E, Han GW, Huang XP, Hufeisen SJ, Mangano TJ, Urban DJ, Katritch V, Cherezov V, Caron MG, Roth BL, Stevens RC (2014). Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs. Nat Commun 5, 4355. PubMed >>

  6. Weierstall U, James D, Wang C, White TA, Wang D, Liu W, Spence JC, Bruce Doak R, Nelson G, Fromme P, Fromme R, Grotjohann I, Kupitz C, Zatsepin NA, Liu H, Basu S, Wacker D, Han GW, Katritch V, Boutet S, Messerschmidt M, Williams GJ, Koglin JE, Marvin Seibert M, Klinker M, Gati C, Shoeman RL, Barty A, Chapman HN, Kirian RA, Beyerlein KR, Stevens RC, Li D, Shah ST, Howe N, Caffrey M, Cherezov V. (2014). Lipidic cubic phase injector facilitates membrane protein serial femtosecond crystallography. Nat Commun 5, 3309. PubMed >>

  7. Wu H, Wang C, Gregory KJ, Han GW, Cho HP, Xia Y, Niswender CM, Katritch V, Meiler J, Cherezov V, Conn PJ, Stevens RC. (2014). Structure of a class C GPCR metabotropic glutamate receptor 1 bound to an allosteric modulator. Science 344, 58-64. PubMed >>

  8. Zhang J, Zhang K, Gao ZG, Paoletta S, Zhang D, Han GW, Li T, Ma L, Zhang W, Müller CE, Yang H, Jiang H, Cherezov V, Katritch V, Jacobson KA, Stevens RC, Wu B, Zhao Q. (2014). Agonist-bound structure of the human P2Y12 receptor. Nature 509, 119-122. PubMed >>

  9. Zhang K, Zhang J, Gao ZG, Zhang D, Zhu L, Han GW, Moss SM, Paoletta S, Kiselev E, Lu W, Fenalti G, Zhang W, Müller CE, Yang H, Jiang H, Cherezov V, Katritch V, Jacobson KA, Stevens RC, Wu B, Zhao Q. (2014). Structure of the human P2Y12 receptor in complex with an antithrombotic drug. Nature 509, 115-118 PubMed >>

  10. Fenalti G, Giguere PM, Katritch V, Huang XP, Thompson AA, Cherezov V, Roth BL and Stevens RC (2014). Molecular Control of δ-Opioid Receptor Signaling. Nature 506(7487):191-6 PubMed >>


  1. Lane R, Chubukov P, Liu W, Canals M, Cherezov V, Abagyan R, Stevens RC and Katritch V* (2013). Structure-Based Ligand Discovery Targeting Orthosteric and Allosteric Pockets of Dopamine Receptors. Mol. Pharmacol. 84(6):794-807. PubMed >>

  2. Coin I, Katritch V, Sun T, Xiang Z, Siu FY, Beyermann M, Stevens RC and Wang L (2013). Genetically Encoded Chemical Probes In Cells Reveal the Binding Path of Urocortin-I to CRF Class B GPCR. Cell, 155(6):1258-69. PubMed >>

  3. W. Liu, D. Wacker, C. Gati, G.W. Han, D. James, D. Wang, G. Nelson, U. Weierstall, V. Katritch, A. Barty, N.A. Zatsepin, D. Li, M. Messerschmidt, S. Boutet, G.J. Williams, J.E. Koglin, M.M. Seibert, C. Wang, S.T.A. Shah, S. Basu, R. Fromme, C. Kupitz, K.N. Rendek, I. Grotjohann, P. Fromme, R.A. Kirian, K.R. Beyerlein, T.A. White, H.N. Chapman, M. Caffrey, J.C.H. Spence, R.C. Stevens, V. Cherezov (2013). Serial femtosecond crystallography of G protein-coupled receptors. Science 342: 1521-1524; PubMed >>

  4. Gutiérrez-de-Terán H, Massink A, Rodríguez D, Liu W, Han GW, Joseph JS, Katritch I, Heitman LH, Xia L, IJzerman AP, Cherezov V, Katritch V and Stevens RC (2013). The role of a sodium ion binding site in the allosteric modulation of the A2A adenosine G protein-coupled receptor. Structure, 21(12):2175-85 PubMed >>

  5. Vardy E, Mosier PD, Frankowski KJ, Wu H, Katritch V, Westkaemper RB, Aubé J, Stevens RC and Roth BL (2013). Chemotype-selective modes of action of kappa-opioid receptor agonists. JBC 288(48):34470-83. PubMed >>

  6. Katritch, V, Cherezov, V, Stevens, R. C.(2013). Structure-function of the G protein-coupled receptor superfamily. Annu Rev Pharmacol Toxicol 2013, 53, 531-556. PubMed >>

  7. Siu FY, He M, de Graaf C, Han GW, Yang D, Zhang Z, Zhou C, Xu Q, Wacker D, Joseph JS, Liu W, Lau J, Cherezov V, Katritch V, Wang MW and Stevens RC (2013). Structure of the human glucagon class B G-protein-coupled receptor. Nature 499(7459): 444-449. PubMed >>

  8. Wang, C, Wu, H, Katritch, V, Han, G. W, Huang, X. P, Liu, W, Siu, F. Y, Roth, B. L, Cherezov, V, Stevens, R. C. (2013). Structure of the human smoothened receptor bound to an antitumour agent. Nature 2013, 497, 338-343 PubMed >>

  9. Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G. W, Liu, W, Huang, X. P, Vardy, E, McCorvy, J. D, Gao, X, Zhou, X. E, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B. L, Cherezov, V, Stevens, R. C, Xu, H. E. (2013). Structural basis for molecular recognition at serotonin receptors. Science 2013, 340, 610-614. PubMed >>

  10. Wacker, D, Wang, C, Katritch, V, Han, G. W, Huang, X. P, Vardy, E, McCorvy, J. D, Jiang, Y, Chu, M, Siu, F. Y, Liu, W, Xu, H. E, Cherezov, V, Roth, B. L, Stevens, R. C. (2013). Structural features for functional selectivity at serotonin receptors. Science 2013, 340, 615-619. PubMed >>

  11. Stevens, R. C, Cherezov, V, Katritch, V, Abagyan, R, Kuhn, P, Rosen, H, Wuthrich, K. (2013). The GPCR Network: a large-scale collaboration to determine human GPCR structure and function. Nat Rev Drug Discov 2013, 12, 25-34. PubMed >>


  1. Tosh, DK, Phan, K, Gao, ZG, Gakh, AA, Xu, F, Deflorian, F, Abagyan, R; Stevens, RC, Jacobson, KA, Katritch, V*. (2012). Optimization of Adenosine 5’-Carboxamide Derivatives as Adenosine Receptor Agonists Using Structure-Based Ligand Design and Fragment-Based Searching. J. Med. Chem. 55(9):4297-308. PubMed >>

  2. Liu, W, Chun, E, Thompson, A. A, Chubukov, P, Xu, F, Katritch, V, Han, G. W, Roth, C. B, Heitman, L. H, AP, I. J, Cherezov, V, Stevens, R. C. (2012). Structural basis for allosteric regulation of GPCRs by sodium ions. Science 337, 232-236. PubMed >>

  3. Chun E, Thompson AA, Liu W, Roth CB, Griffith MT, Katritch V., Kunken J., Xu F., Cherezov V., Hanson M. A. and Stevens R.C. (2012). Fusion Partner Toolchest for the Stabilization and Crystallization of G Protein-Coupled Receptors. Structure 2012, 20, 967-976. PubMed >>

  4. Thompson, A. A, Liu, W, Chun, E, Katritch, V, Wu, H, Vardy, E, Huang, X. P, Trapella, C, Guerrini, R, Calo, G, Roth, B. L, Cherezov, V, Stevens, R.C. (2012). Structure of the Nociceptin/Orphanin FQ Receptor in Complex with a Peptide Mimetic. Nature 485, 395–399. PubMed >>

  5. Wu, H, Wacker, D, Katritch, V, Han, G, Vardy, E, Liu, W, Thompson, A, Huang, X, Mileni, M, Carroll, F, Mascarella, S, Westkaemper, R, Mosier, P, Roth, B, Cherezov, V, Stevens, R. (2012). Structure of the human kappa opioid receptor in complex with JDTic. Nature 485, 327–332. PubMed >>

  6. Katritch. V., Cherezov. V. and Stevens, R.C. (2012). Diversity and Modularity of G Protein-Coupled Receptor Structures. Trends in Pharm. Sciences, 33, 17-27. PubMed >>

  7. Katritch, V*, Rueda, M, Abagyan, R. (2012). Ligand-guided receptor optimization. Methods Mol. Biol. 857, 189-205. PubMed >>

  8. Liu,J.J., Horst, R., Katritch, V., Stevens, R.C. and Wüthrich, K. (2012). Signal transduction in β2-adrenergic receptor characterized by 19F NMR. Science 335, 1106-1110. PubMed >>

  9. Deflorian F, Kumar TS, Phan K, Gao ZG, Xu F, Wu H, Katritch V, Stevens RC, Jacobson KA. (2012). Evaluation of Molecular Modeling of Agonist Binding in Light of the Crystallographic Structure of an Agonist-Bound A(2A) Adenosine Receptor. J Med. Chem. 55, 538-552. PubMed >>


  1. de Graaf C, Kooistra AJ, Vischer HF, Katritch V, Kuijer M, Shiroishi M, Iwata S, Shimamura T, Stevens RC, de Esch IJ, Leurs R. (2011). Crystal Structure-Based Virtual Screening for Fragment-like Ligands of the Human Histamine H(1) Receptor. J Med. Chem. 54 (23):8195-206. PMID: 22007643; PMCID: PMC3228891. PubMed >>

  2. Katritch V*, Abagyan R. (2011). GPCR agonist binding revealed by modeling and crystallography. Trends Pharmacol Sci. 2011 Nov; 32(11):637-43. PMID: 21903279; PMCID: PMC3200445. PubMed >>

  3. Shimamura, T., Shiroishi, M., Weyand, S., Tsujimoto, H., Winter, G., Katritch, V., Abagyan, R., Cherezov, V., Liu, W., Han G.W., Kobayashi, T., Stevens R.C. and S. Iwata. (2011). Structure of the human histamine H1 receptor complex with doxepin. Nature, 475(7354):65-70. PubMed >>

  4. West, G.M., Chien, E.Y.T, Katritch, V., Gatchalian, J., Chalmers, M.J, Stevens. R.C and P.R. Griffin (2011). Ligand-dependent perturbation of the conformational ensemble of the GPCR beta2 adrenergic receptor revealed by HDX. Structure, 2011, 19, 1424-1432. PubMed >>

  5. Kufareva, I., Rueda, M., Katritch, V., participants of GPCR Dock 2010, Stevens, R.C. and R. Abagyan. (2011). Status of GPCR modeling and docking as reflected by community wide GPCR Dock 2010 assessment. Structure 19(8):1108-26. PubMed >>

  6. Tiefenbrunn, T., Liu, W., Chen, Y., Katritch, V., Stout, C.D., Fee, J.A. and V. Cherezov (2011). High Resolution Structure of the ba3 Cytochrome c Oxidase from Thermus thermophilus in a Lipidic Environment. PLoS ONE. 6(7):e22348. PubMed >>

  7. Xu, F., Wu, H., Katritch, V., Han, G.W., Jacobson, K.A., Gao, Z.G., Cherezov, V. and R,C. Stevens. (2011). Structure of an agonist-bound human A2A adenosine receptor. Science, 332(6027):322-7 PubMed >>

  8. Katritch, V., Kufareva, I. and R. Abagyan (2011). Structure based prediction of subtype-selectivity for adenosine receptor antagonists. Neuropharmacology 60(1):108-15. PubMed >>


  1. Chien,E.Y.T, Liu, W., Zhao, Q., Katritch, V., Han, G.W., Hanson, M.A., Shi, L., Newman, A.H., Javitch, J.A., Cherezov, V. and R.C. Stevens (2010). Structure of the human dopamine D3 receptor in complex with a D2/D3 selective antagonist. Science, 330(6007):1091-5. PubMed >>

  2. Wu, B., Chien, E.Y.T., Mol, C.D., Fenalti, G., Liu, W., Katritch, V., Abagyan, R., Brooun, A., Wells, P., Bi, F.C., Hamel, D.J., Kuhn, P., Handel, T.M., Cherezov, V. and R.C. Stevens (2010). Structures of the CXCR4 chemokine receptor in complex with small molecule and cyclic peptide antagonists. Science, 330(6007):1066-71. PubMed >>

  3. Rueda, M., Katritch, V., Raush, E. and R. Abagyan. (2010). SimiCon: A web tool for protein-ligand model comparison through calculation of equivalent atomic contacts. Bioinformatics, 26(21):2784-5. PubMed >>

  4. Wacker, D., Fenalti, G., Brown, M., Katritch, V., Abagyan, R., Cherezov, V. and R.C. Stevens (2010). Conserved binding mode of human β2 adrenergic receptor inverse agonists and antagonist revealed by X-ray crystallography. JACS, 132(33):11443-5. PubMed >>

  5. Jaakola, V.P., Lane, R.J., Lin, J.Y., Katritch, V. IJzerman, A.P., and R.C. Stevens (2010). Ligand binding and subtype selectivity of the human A(2A) adenosine receptor: identification and characterization of essential amino acid residues. JBC, 285(17):13032-44 PMC2857108 PubMed >>

  6. Katritch, V.*, Jaakola, V.P., Lane, J.R., Lin, J., IJzerman, A.P. Yeager, M., Kufareva, I., Stevens, R.C. and R. Abagyan (2010). Structure-Based Discovery of Novel Chemotypes for Adenosine A(2A) Receptor Antagonists, J. Med. Chem., 53(4):1799-809 PubMed >>

  7. Reynolds, K. A., Katritch, V. and Abagyan, R. (2010). Structure and Modeling of GPCRs: Implications for Drug Discovery, in GPCR Molecular Pharmacology and Drug Targeting: Shifting Paradigms and New Directions (ed. A. Gilchrist), John Wiley & Sons, Inc., Hoboken, NJ, USA. pp. 385-433, doi: 10.1002/9780470627327.ch15. Link >>

  8. Katritch, V., Rueda, M. Lam, P. C. Yeager, M. and R. Abagyan (2010). GPCR 3D Homology Models for Ligand Screening: Lessons Learned from Blind Predictions of Adenosine A2a Receptor complex. Proteins, 78(1):197-211. PMCID#2693451 PubMed >>


  1. Michino, M., Abola, E., GPCR Dock 2008 participants, Brooks III, C.L., Dixon, J.C., Moult, J. and Stevens, R.C. (2009). Community-wide assessment of GPCR structure modelling and ligand docking: GPCR Dock 2008. (Katritch, V., Rueda, M. and Abagyan R. – as “GPCR Dock 2008 participants”.) Nature Review Drug Discovery, 8(6), 455-63 PubMed >>

  2. Reynolds, K. A., Katritch, V., and Abagyan, R. (2009) . Identifying conformational changes of β2 adrenoceptor that enable accurate prediction of ligand/receptor interactions and screening for GPCR modulators. J. Comp. Aided Mol Des, 23(5): p. 273-88. PubMed >>

  3. Katritch, V.*, Cherezov, V., Hanson, M.A., Roth, R.B., Reynolds, K. A. and Abagyan, R. (2009). Analysis of the β2AR structure provides insight into agonist binding and the role of the transmembrane helix V in receptor activation. J Mol Recognit, 22(4):p.307-18 PubMed >>


  1. Cherezov, V., Liu, W., Derrick, J.P., Luan, B., Aksimentiev A., Katritch V. and Caffrey, M. (2008). In meso Crystal Structure and Docking Simulations Suggest an Alternative Proteoglycan Binding Site in the OpcA Outer Membrane Adhesin. Proteins 71(1):24-34. PubMed >>


  1. Katritch, V.*, Byrd, C., Tseitin, V., Dai, D., Raush, E., Totrov, M., Abagyan., Jordan, R. and Hruby, D. (2007). Discovery of non-peptide inhibitors of ubiquitin-like poxvirus proteinase I7L using comparative protein modeling and covalent docking approach. J. Comp. Aided Mol. Design, 21, 549-58. PubMed >>


  1. Katritch, V., Totrov, M. and Abagyan, R. (2003). ICFF: new method to incorporate implicit flexibility into an internal coordinate force field. J. Comp. Chem. 24, 254-265 PubMed >>


  1. Jin, E., Katritch, V., Olson, W. K., Abagyan, R. & Pilch, D. S. (2000). Aminoglycoside binding in the major groove of duplex RNA: The thermodynamic and electrostatic forces that govern recognition. J. Mol. Biol., 298, 95-110. PubMed >>

  2. Katritch, V., Olson, W. K., Vologodskii, A, Dubochet, J. and Stasiak, A. (2000). Entropic tight knotting of polymers. Physical Review E, 61, 5545-5549. PubMed >>


  1. Martino, J.A., Katritch, V. and Olson, W. K. (1999). Influence of nucleosome structure on the three-dimensional folding of idealized minichromosomes. Struct. Fold. Des. 7, 1009-22. PubMed >>

  2. Katritch, V., Bustamante, C. and Olson, W.K. (1999). Pulling single chromatin fiber: conformational properties and force-extension characteristics. J. Mol. Biol., 295, 29-40. PubMed >>


  1. Stasiak,A., Dubochet, J., Katritch, V. and P. Pieranski (1998). Ideal knots and their relation to the physics of real knots. Book chapter in: Ideal Knots (editors: A. Stasiak, V. Katritch V and L.H. Kauffman), World Scientific Publisher Co., 1999.

  2. Vologodskii, A., Crisona, N., Laurie, B., Pieranski, P., Katritch, V., Dubochet, J. & Stasiak, A. (1998). Sedimentation and electrophoretic migration of DNA knots and catenanes. J. Mol. Biol., 278, 1-3. PubMed >>

  3. Laurie B, Katritch V, Sogo J, Koller T, Dubochet J and Stasiak A. (1998). Geometry and physics of catenanes applied to the study of DNA replication. Biophys. J. 74, 2815-22. PubMed >>


  1. Katritch, V. and Olson, W.K. (1997). Computer simulations of polynucleosomal DNA circles. J. of Biom. Struct. Dyn., 14, 831-832. PubMed>>

  2. Furrer, P., Bednar, J., Stasiak, A.Z., Katritch, V., Michoud, D., Stasiak, A. and Dubochet, J. (1997). Opposite effect of counterions on the persistence length of nicked and non-nicked DNA. J. Mol. Biol. 266, 711-721. PubMed >>

  3. Katritch V. & Vologodskii, A.V. (1997). The effect of intrinsic curvature on conformational properties of circular DNA. Biophysical Journal, 72, 1070-1079. PubMed >>

  4. Katritch, V., Olson, W.K., Pieranski, P., Dubochet, J. and Stasiak,A. (1997). Properties of ideal composite knots. Nature, 388, 149-151. PubMed >>


  1. Katrich,V. and Vologodskii, A. (1996). Conformational features of circular DNA with natural curvature. Biofizika, 41(2):536-8. PubMed >>

  2. Stasiak, A., Bednar, J., Furrer, P., Katritch, V., Stasiak, A. Z. & Dubochet, J. (1996). Elasticity of DNA as directly measured by cryo-electron microscopy. Biological Structure and dynamics, V.2, pp. 259-266 (Eds. R.H.Sarma &M.H.Sarma). Adenine Press, 1996.

  3. Stasiak, A., Katritch, V., Bednar, J., Michoud, D. and Dubochet, J. (1996). Electrophoretic mobility of DNA knots. Nature, 384, 122-123. PubMed >>

  4. Katritch, V., Bednar, J., Michoud, D., Scharein, R.G., Dubochet, J. and Stasiak, A. (1996). Geometry and physics of knots. Nature, 384, 142-145. PubMed >>


  1. Bednar J., Furrer P., Katritch V., Stasiak A.Z., Dubochet J., Stasiak A. (1995). Determination of DNA persistence length by cryo-electron microscopy. Separation of the static and dynamic contributions to the apparent persistence length of DNA. J. Mol. Biol. 8;254(4):579-91. PubMed >>

  2. Katrich V., Bednar J., Furrer P., Pinolimargalef F., Kunt M., Vologodskii A., Stasiak A., Dubochet J. (1995). Persistence length of DNA molecules confined to a thin liquid layer. J. Mol. Biol. 8;254(4):591-94 PubMed >>