Vsevolod Katritch

Professor of Quantitative and Computational Biology and Chemistry
Email katritch@usc.edu Office MCB 317 Office Phone (213) 821-1488

Education

  • B.S. , Moscow Institute of Physics and Technology, 6/1993
  • Ph.D. Biophysics and Molecular Biology, Moscow Institute of Physics and Technology
    • Research Associate, Scripps Research Institute, 04/01/1999-11/01/2001
  • Summary Statement of Research Interests

    Dr. Katritch broad scientific interests involve development and application of computational tools to study key biological phenomena, from DNA topology and chromatin folding to understanding molecular basis of receptor signaling and drug action. Current research in his group has been focused on the structure and function of membrane proteins and specifically on the superfamily of G-protein coupled receptors (GPCRs), which is targeted by more than 30% of clinical drugs. The main directions of these studies include (i) deciphering the molecular basis of GPCRs interactions with various ligands, co-factors and downstream effectors (ii) structure-based discovery and optimization of leads and tool compounds with novel functional properties, such as allosteric modulation and signaling bias, (iii) integrative structural biology combining molecular modeling with biophysical (NMR, HDX, EPR, cryo-EM) and biochemical (mutagenesis, chemical crosslinking) data, and putting this data in the context of systems biology of GPCR-mediated pathways. Ultimately this work aims at better understanding of human biology and exploring new venues for rational drug discovery.

    Research Keywords

    molecular modeling, structural bioinformatics, membrane proteins, GPCR, structure-based drug discovery

    • (Spring 2021) BISC 321. Multidisciplinary Seminar: Science, Technology and Society, M 03:30pm – 04:50pm,
  • Journal Article

    • 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. (2022). Synthon-based ligand discovery in virtual libraries of over 11 billion compounds. Nature. Vol. 601 (7893), pp. 452-459.
    • Nazarova, A. L., Katritch, V. (2022). It all clicks together: In silico drug discovery becoming mainstream. Clin Transl Med. Vol. 12 (4), pp. e766.
    • Motiwala, Z., Aduri, N. G., Shaye, H., Han, G. W., Lam, J. H., Katritch, V., Cherezov, V., Gati, C. (2022). Structural basis of GABA reuptake inhibition. Nature. Vol. 606 (7915), pp. 820-826.
    • Kay, Y., Tsan, L., Davis, E. A., Tian, C., Decarie-Spain, L., Sadybekov, A., Pushkin, A. N., Katritch, V., Kanoski, S. E., Herring, B. E. (2022). Schizophrenia-associated SAP97 mutations increase glutamatergic synapse strength in the dentate gyrus and impair contextual episodic memory in rats. Nat Commun. Vol. 13 (1), pp. 798.
    • Zaidi, S. A., Katritch, V. (2021). Structural Characterization of KOR Inactive and Active States for 3D Pharmacology and Drug Discovery. Handb Exp Pharmacol.
    • 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. (2021). Controlling opioid receptor functional selectivity by targeting distinct subpockets of the orthosteric site. Elife. Vol. 10
    • Sarott, R. C., Viray, A. E., Pfaff, P., Sadybekov, A., Rajic, G., Katritch, V., Carreira, E. M., Frank, J. A. (2021). Optical Control of Cannabinoid Receptor 2-Mediated Ca(2+) Release Enabled by Synthesis of Photoswitchable Probes. J Am Chem Soc. Vol. 143 (2), pp. 736-743.
    • Michaelian, N., Sadybekov, A., Besserer-Offroy, E., 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. (2021). Structural insights on ligand recognition at the human leukotriene B4 receptor 1. Nat Commun. Vol. 12 (1), pp. 2971.
    • Daley, E. J., Khatri, A., Dean, T., Vilardaga, J. P., Zaidi, S. A., Katritch, V., Gardella, T. J. (2021). Ligand-Dependent Effects of Methionine-8 Oxidation in Parathyroid Hormone Peptide Analogues. Endocrinology. Vol. 162 (2)
    • 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. (2021). Novel Dual-Target mu-Opioid Receptor and Dopamine D3 Receptor Ligands as Potential Nonaddictive Pharmacotherapeutics for Pain Management. J Med Chem. Vol. 64 (11), pp. 7778-7808.
    • Battiti, F. O., Zaidi, S. A., Katritch, V., Newman, A. H., Bonifazi, A. (2021). Chiral Cyclic Aliphatic Linkers as Building Blocks for Selective Dopamine D2 or D3 Receptor Agonists. Journal of Medicinal Chemistry/American Chemical Society.
    • Patel, N., Huang, X. P., Grandner, J. M., Johansson, L. C., Stauch, B., McCorvy, J. D., Liu, Y., Roth, B., Katritch, V. (2020). Structure-based discovery of potent and selective melatonin receptor agonists. Elife. Vol. 9
    • Sadybekov, A., Katritch, V. (2020). Breaking the Enigma Code of Angiotensin II Type 2 Receptor Signaling. Structure. Vol. 28 (4), pp. 390-392.
    • Gusach, A., Luginina, A., Marin, E., Brouillette, R. L., Besserer-Offroy, E., Longpre, 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. (2019). Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors. Nat Commun. Vol. 10 (1), pp. 5573.
    • 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., 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. (2019). XFEL structures of the human MT2 melatonin receptor reveal the basis of subtype selectivity. Nature. Vol. 569 (7755), pp. 289-292.
    • Levine, P. M., Balana, A. T., 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. (2019). O-GlcNAc Engineering of GPCR Peptide-Agonists Improves Their Stability and in Vivo Activity. J Am Chem Soc. Vol. 141 (36), pp. 14210-14219.
    • 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. (2019). Crystal Structure of the Human Cannabinoid Receptor CB2. Cell. Vol. 176 (3), pp. 459-467 e13.
    • Luginina, A., Gusach, A., Marin, E., Mishin, A., Brouillette, R., Popov, P., Shiriaeva, A., Besserer-Offroy, E., Longpre, 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., Cherezov, V. (2019). Structure-based mechanism of cysteinyl leukotriene receptor inhibition by antiasthmatic drugs. Sci Adv. Vol. 5 (10), pp. eaax2518.
    • Popov, P., Kozlovskii, I., Katritch, V. (2019). Computational design for thermostabilization of GPCRs. Curr Opin Struct Biol. Vol. 55, pp. 25-33.
    • Seidel, L., Zarzycka, B., Katritch, V., Coin, I. (2019). Exploring Pairwise Chemical Crosslinking To Study Peptide-Receptor Interactions. Chembiochem. Vol. 20 (5), pp. 683-692.
    • 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., Tribo, A. R., Yous, S., Stevens, R. C., Weierstall, U., Katritch, V., Roth, B. L., Liu, W., Cherezov, V. (2019). Structural basis of ligand recognition at the human MT1 melatonin receptor. Nature. Vol. 569 (7755), pp. 284-288.
    • Zarzycka, B., Zaidi, S. A., Roth, B. L., Katritch, V. (2019). Harnessing Ion-Binding Sites for GPCR Pharmacology. Pharmacol Rev. Vol. 71 (4), pp. 571-595.
    • 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. (2018). Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor. Cell. Vol. 172 (1-2), pp. 55-67 e15.
    • Vickery, O. N., Carvalheda, C. A., Zaidi, S. A., Pisliakov, A. V., Katritch, V., Zachariae, U. (2018). Intracellular Transfer of Na(+) in an Active-State G-Protein-Coupled Receptor. Structure. Vol. 26 (1), pp. 171-180 e2.
    • Popov, P., Peng, Y., Shen, L., Stevens, R. C., Cherezov, V., Liu, Z. J., Katritch, V. (2018). Computational design of thermostabilizing point mutations for G protein-coupled receptors. Elife. Vol. 7
    • Tian, C., Kay, Y., Sadybekov, A., Rao, S., Katritch, V., Herring, B. E. (2018). An Intellectual Disability-Related Missense Mutation in Rac1 Prevents LTP Induction. Front Mol Neurosci. Vol. 11, pp. 223.
    • 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. (2018). Crystal structure of the Frizzled 4 receptor in a ligand-free state. Nature. Vol. 560 (7720), pp. 666-670.
    • Ye, W., Tu, Y. H., Cooper, A. J., Zhang, Z., Katritch, V., Liman, E. R. (2018). Activation Stoichiometry and Pore Architecture of TRPA1 Probed with Channel Concatemers. Sci Rep. Vol. 8 (1), pp. 17104.
    • Zheng, Z., Huang, X. P., Mangano, T. J., Zou, R., Chen, X., Zaidi, S. A., Roth, B. L., Stevens, R. C., Katritch, V. (2017). Structure-Based Discovery of New Antagonist and Biased Agonist Chemotypes for the Kappa Opioid Receptor. J Med Chem.
    • 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. (2017). Structural basis for selectivity and diversity in angiotensin II receptors. Nature.
    • Sadybekov, A., Tian, C., Arnesano, C., Katritch, V., Herring, B. E. (2017). An autism spectrum disorder-related de novo mutation hotspot discovered in the GEF1 domain of Trio. Nat Commun. Vol. 8 (1), pp. 601.
    • Seidel, L., Zarzycka, B., Zaidi, S. A., Katritch, V., Coin, I. (2017). Structural insight into the activation of a class B G-protein-coupled receptor by peptide hormones in live human cells. Elife. Vol. 6
    • Westphal, M., Schafroth, M. A., Sarott, R., Imhof, M., Bold, C., Leippe, P., Dhopeshwarkar, A., Grandner, J., Katritch, V., Mackie, K., Trauner, D., Carreira, E. M., Frank, J. A. (2017). Synthesis of Photoswitchable Delta(9)-Tetrahydrocannabinol Derivatives Enables Optical Control of Cannabinoid Receptor 1 Signaling. J Am Chem Soc.
    • 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. (2015). Two disparate ligand-binding sites in the human P2Y1 receptor. Nature. Vol. 520 (7547), pp. 317-21. PubMed Web Address
    • Massink, A., Gutierrez-de-Teran, H., Lenselink, E. B., Ortiz Zacarias, N. V., Xia, L., Heitman, L. H., Katritch, V., Stevens, R. C., AP, I. J. (2015). Sodium Ion Binding Pocket Mutations and Adenosine A2A Receptor Function. Mol Pharmacol. Vol. 87 (2), pp. 305-13.
    • 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. (2015). Structure of the Angiotensin receptor revealed by serial femtosecond crystallography. Cell. Vol. 161 (4), pp. 833-44.
    • 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. (2015). Modeling ligand recognition at the P2Y12 receptor in light of X-ray structural information. J Comput Aided Mol Des. Vol. 29 (8), pp. 737-56.
    • Massink, A., Gutierrez-de-Teran, H., Lenselink, E. B., Ortiz Zacarias, N. V., Xia, L., Heitman, L. H., Katritch, V., Stevens, R. C., AP, I. J. (2015). Sodium ion binding pocket mutations and adenosine A2A receptor function. Mol Pharmacol. Vol. 87 (2), pp. 305-13.
    • Lamichhane, R., Liu, J. J., Pljevaljcic, G., White, K. L., van der Schans, E., Katritch, V., Stevens, R. C., Wuthrich, K., Millar, D. P. (2015). Single-molecule view of basal activity and activation mechanisms of the G protein-coupled receptor beta2AR. Proc Natl Acad Sci U S A. Vol. 112 (46), pp. 14254-9.
    • Kiselev, E., Balasubramanian, R., Uliassi, E., Brown, K. A., Trujillo, K., Katritch, V., Hammes, E., Stevens, R. C., Harden, T. K., Jacobson, K. A. (2015). Design, synthesis, pharmacological characterization of a fluorescent agonist of the P2Y(1)(4) receptor. Bioorg Med Chem Lett. Vol. 25 (21), pp. 4733-9.
    • Kang, Y., Zhou, X. E., Gao, X., He, Y., Liu, W., Ishchenko, A., Barty, A., White, T. A., Yefanov, O., Han, G. W., Xu, Q., de Waal, P. W., Ke, J., Tan, M. H., Zhang, C., Moeller, A., West, G. M., Pascal, B. D., Van Eps, N., Caro, L. N., Vishnivetskiy, S. A., Lee, R. J., Suino-Powell, K. M., Gu, X., Pal, K., Ma, J., Zhi, X., Boutet, S., Williams, G. J., Messerschmidt, M., Gati, C., Zatsepin, N. A., Wang, D., James, D., Basu, S., Roy-Chowdhury, S., Conrad, C. E., 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, C. S., Carragher, B., Caffrey, M., Jiang, H., Chapman, H. N., Spence, J. C., Fromme, P., Weierstall, U., Ernst, O. P., Katritch, V., Gurevich, V. V., Griffin, P. R., Hubbell, W. L., Stevens, R. C., Cherezov, V., Melcher, K., Xu, H. E. (2015). Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser. Nature. Vol. 523 (7562), pp. 561-7.
    • Fenalti, G., Zatsepin, N. A., Betti, C., Giguere, P., Han, G. W., Ishchenko, A., Liu, W., Guillemyn, K., Zhang, H., James, D., Wang, D., Weierstall, U., Spence, J. C., Boutet, S., Messerschmidt, M., Williams, G. J., Gati, C., Yefanov, O. M., White, T. A., Oberthuer, D., Metz, M., Yoon, C. H., Barty, A., Chapman, H. N., Basu, S., Coe, J., Conrad, C. E., Fromme, R., Fromme, P., Tourwe, D., Schiller, P. W., Roth, B. L., Ballet, S., Katritch, V., Stevens, R. C., Cherezov, V. (2015). Structural basis for bifunctional peptide recognition at human delta-opioid receptor. Nat Struct Mol Biol. Vol. 22 (3), pp. 265-8.
    • Zhang, K., Zhang, J., Gao, Z. G., Zhang, D., Zhu, L., Han, G. W., Moss, S. M., Paoletta, S., Kiselev, E., Lu, W., Fenalti, G., Zhang, W., Muller, C. E., Yang, H., Jiang, H., Cherezov, V., Katritch, V., Jacobson, K. A., Stevens, R. C., Wu, B., Zhao, Q. (2014). Structure of the human P2Y12 receptor in complex with an antithrombotic drug. Nature. Vol. 509 (74982014/03/29), pp. 115-8.
    • Zhang, J., Zhang, K., Gao, Z. G., Paoletta, S., Zhang, D., Han, G. W., Li, T., Ma, L., Zhang, W., Muller, C. E., Yang, H., Jiang, H., Cherezov, V., Katritch, V., Jacobson, K. A., Stevens, R. C., Wu, B., Zhao, Q. (2014). Agonist-bound structure of the human P2Y12 receptor. Nature. Vol. 509 (74982014/05/03), pp. 119-22.
    • Wu, H., Wang, C., Gregory, K. J., Han, G. W., Cho, H. P., Xia, Y., Niswender, C. M., Katritch, V., Meiler, J., Cherezov, V., Conn, P. J., Stevens, R. C. (2014). Structure of a class C GPCR metabotropic glutamate receptor 1 bound to an allosteric modulator. Science. Vol. 344 (61792014/03/08), pp. 58-64.
    • Wang, C., Wu, H., Evron, T., Vardy, E., Han, G. W., Huang, X. P., Hufeisen, S. J., Mangano, T. J., Urban, D. J., Katritch, V., Cherezov, V., Caron, M. G., Roth, B. L., Stevens, R. C. (2014). Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs. Nat Commun. Vol. 5 (2014/07/11), pp. 4355.
    • Kufareva, I., Katritch, V., Participants of, G. D., Stevens, R. C., Abagyan, R. (2014). Advances in GPCR modeling evaluated by the GPCR Dock 2013 assessment: meeting new challenges. Structure. Vol. 22 (8), pp. 1120-39.
    • Katritch, V., Fenalti, G., Abola, E. E., Roth, B. L., Cherezov, V., Stevens, R. C. (2014). Allosteric sodium in class A GPCR signaling. Trends Biochem Sci. Vol. 39 (52014/04/29), pp. 233-244.
    • Fenalti, G., Giguere, P. M., Katritch, V., Huang, X. P., Thompson, A. A., Cherezov, V., Roth, B. L., Stevens, R. C. (2014). Molecular control of delta-opioid receptor signalling. Nature. Vol. 506 (74872014/01/15), pp. 191-6.
    • 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. Vol. 497 (74492013/05/03), pp. 338-43.
    • 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. Vol. 340 (61322013/03/23), pp. 610-4.
    • 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. Vol. 340 (61322013/03/23), pp. 615-9.
    • Vardy, E., Mosier, P. D., Frankowski, K. J., Wu, H., Katritch, V., Westkaemper, R. B., Aube, J., Stevens, R. C., Roth, B. L. (2013). Chemotype-selective Modes of Action of kappa-Opioid Receptor Agonists. J Biol Chem. Vol. 288 (482013/10/15), pp. 34470-83.
    • 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. Vol. 12 (12012/12/15), pp. 25-34.
    • Siu, F. Y., He, M., de Graaf, C., Han, G. W., Yang, D., Zhang, Z., Zhou, C., Xu, Q., Wacker, D., Joseph, J. S., Liu, W., Lau, J., Cherezov, V., Katritch, V., Wang, M. W., Stevens, R. C. (2013). Structure of the human glucagon class B G-protein-coupled receptor. Nature. Vol. 499 (74592013/07/19), pp. 444-9.
    • Lane, J. R., Chubukov, P., Liu, W., Canals, M., Cherezov, V., Abagyan, R., Stevens, R. C., Katritch, V. (2013). Structure-based ligand discovery targeting orthosteric and allosteric pockets of dopamine receptors. Mol Pharmacol. Vol. 84 (62013/09/12), pp. 794-807.
    • Katritch, V., Cherezov, V., Stevens, R. C. (2013). Structure-function of the G protein-coupled receptor superfamily. Annu Rev Pharmacol Toxicol. Vol. 53 (2012/11/13), pp. 531-56.
    • Gutierrez-de-Teran, H., Massink, A., Rodriguez, D., Liu, W., Han, G. W., Joseph, J. S., Katritch, I., Heitman, L. H., Xia, L., Ijzerman, A. P., Cherezov, V., Katritch, V., Stevens, R. C. (2013). The Role of a Sodium Ion Binding Site in the Allosteric Modulation of the A2A Adenosine G Protein-Coupled Receptor. Structure. Vol. 21 (122013/11/12), pp. 2175-85.
    • Coin, I., Katritch, V., Sun, T., Xiang, Z., Siu, F. Y., Beyermann, M., Stevens, R. C., Wang, L. (2013). Genetically Encoded Chemical Probes in Cells Reveal the Binding Path of Urocortin-I to CRF Class B GPCR. Cell. Vol. 155 (62013/12/03), pp. 1258-69.
    • Tosh, D. K., Phan, K., Gao, Z. G., Gakh, A. A., Xu, F., Deflorian, F., Abagyan, R., Stevens, R. C., Jacobson, K. A., Katritch, V. (2012). Optimization of adenosine 5′-carboxamide derivatives as adenosine receptor agonists using structure-based ligand design and fragment screening. Journal of medicinal chemistry. Vol. 55 (9), pp. 4297-308. PubMed Web Address
    • Wu, H., Wacker, D., Mileni, M., Katritch, V., Han, G. W., Vardy, E., Liu, W., Thompson, A. A., Huang, X. P., Carroll, F. I., Mascarella, S. W., Westkaemper, R. B., Mosier, P. D., Roth, B. L., Cherezov, V., Stevens, R. C. (2012). Structure of the human kappa-opioid receptor in complex with JDTic. Nature. Vol. 485 (73982012/03/23), pp. 327-32.
    • 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. Vol. 485 (73982012/05/19), pp. 395-9.
    • 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. Vol. 337 (60912012/07/17), pp. 232-6.
    • Liu, J. J., Horst, R., Katritch, V., Stevens, R. C., Wuthrich, K. (2012). Biased Signaling Pathways in beta2-Adrenergic Receptor Characterized by 19F-NMR. Science. Vol. 335 (60722012/01/24), pp. 1106-10.
    • Katritch, V., Rueda, M., Abagyan, R. (2012). Ligand-guided receptor optimization. Methods Mol Biol. Vol. 857 (2012/02/11), pp. 189-205.
    • Katritch, V., Cherezov, V., Stevens, R. C. (2012). Diversity and modularity of G protein-coupled receptor structures. Trends Pharmacol Sci. Vol. 33 (12011/10/29), pp. 17-27.
    • Chun, E., Thompson, A. A., Liu, W., Roth, C. B., Griffith, M. T., Katritch, V., Kunken, J., Xu, F., Cherezov, V., Hanson, M. A., Stevens, R. C. (2012). Fusion partner toolchest for the stabilization and crystallization of g protein-coupled receptors. Structure. Vol. 20 (62012/06/12), pp. 967-76.
    • West, G. M., Chien, E. Y., Katritch, V., Gatchalian, J., Chalmers, M. J., Stevens, R. C., Griffin, P. R. (2011). Ligand-dependent perturbation of the conformational ensemble for the GPCR ß2 adrenergic receptor revealed by HDX. Structure (London, England : 1993). Vol. 19 (10), pp. 1424-32. PubMed Web Address
    • Xu, F., Wu, H., Katritch, V., Han, G. W., Jacobson, K. A., Gao, Z. G., Cherezov, V., Stevens, R. C. (2011). Structure of an Agonist-Bound Human A2A Adenosine Receptor. Science. Vol. 332 (60272011/03/12), pp. 322-327.
    • West, G. M., Chien, E. Y., Katritch, V., Gatchalian, J., Chalmers, M. J., Stevens, R. C., Griffin, P. R. (2011). Ligand-Dependent Perturbation of the Conformational Ensemble for the GPCR beta(2) Adrenergic Receptor Revealed by HDX. Structure. Vol. 19 (102011/09/06), pp. 1424-32.
    • Tiefenbrunn, T., Liu, W., Chen, Y., Katritch, V., Stout, C. D., Fee, J. A., Cherezov, V. (2011). High resolution structure of the ba3 cytochrome c oxidase from Thermus thermophilus in a lipidic environment. PLoS One. Vol. 6 (72011/08/05), pp. e22348.
    • 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., Iwata, S. (2011). Structure of the human histamine H1 receptor complex with doxepin. Nature. Vol. 475 (73542011/06/24), pp. 65-70.
    • Kufareva, I., Rueda, M., Katritch, V., Stevens, R. C., Abagyan, R. (2011). Status of GPCR Modeling and Docking as Reflected by Community-wide GPCR Dock 2010 Assessment. Structure. Vol. 19 (82011/08/11), pp. 1108-26.
    • Katritch, V., Kufareva, I., Abagyan, R. (2011). Structure based prediction of subtype-selectivity for adenosine receptor antagonists. Neuropharmacology. Vol. 60 (12010/07/20), pp. 108-15.
    • Katritch, V., Abagyan, R. (2011). GPCR agonist binding revealed by modeling and crystallography. Trends Pharmacol Sci. Vol. 32 (112011/09/10), pp. 637-43.
    • Wu, B., Chien, E. Y., 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., Stevens, R. C. (2010). Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science. Vol. 330 (60072010/10/12), pp. 1066-71.
    • Wacker, D., Fenalti, G., Brown, M. A., Katritch, V., Abagyan, R., Cherezov, V., Stevens, R. C. (2010). Conserved binding mode of human beta2 adrenergic receptor inverse agonists and antagonist revealed by X-ray crystallography. J Am Chem Soc. Vol. 132 (332010/07/31), pp. 11443-5.
    • Katritch, V., Rueda, M., Lam, P. C., Yeager, M., Abagyan, R. (2010). GPCR 3D homology models for ligand screening: lessons learned from blind predictions of adenosine A2a receptor complex. Proteins. Vol. 78 (12010/01/12), pp. 197-211.
    • Katritch, V., Jaakola, V. P., Lane, J. R., Lin, J., Ijzerman, A. P., Yeager, M., Kufareva, I., Stevens, R. C., Abagyan, R. (2010). Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists. J Med Chem. Vol. 53 (42010/01/26), pp. 1799-809.
    • Chien, E. Y., Liu, W., Zhao, Q., Katritch, V., Han, G. W., Hanson, M. A., Shi, L., Newman, A. H., Javitch, J. A., Cherezov, V., Stevens, R. C. (2010). Structure of the human dopamine D3 receptor in complex with a D2/D3 selective antagonist. Science. Vol. 330 (60072010/11/26), pp. 1091-5.
    • Katritch, V., Reynolds, K. A., Cherezov, V., Hanson, M. A., Roth, C. B., Yeager, M., Abagyan, R. (2009). Analysis of full and partial agonists binding to beta2-adrenergic receptor suggests a role of transmembrane helix V in agonist-specific conformational changes. J Mol Recognit. Vol. 22 (42009/04/09), pp. 307-18.
    • Katritch, V., Byrd, C. M., Tseitin, V., Dai, D., Raush, E., Totrov, M., Abagyan, R., Jordan, R., Hruby, D. E. (2007). Discovery of small molecule inhibitors of ubiquitin-like poxvirus proteinase I7L using homology modeling and covalent docking approaches. J Comput Aided Mol Des. Vol. 21 (10-112007/10/26), pp. 549-58.
    • Katritch, V., Totrov, M., Abagyan, R. (2003). ICFF: a new method to incorporate implicit flexibility into an internal coordinate force field. J Comput Chem. Vol. 24 (22002/12/24), pp. 254-65.

    Other

    • Reynolds, K., Abagyan, R., Katritch, V. (2010). Structure and Modeling of GPCRs: Implications for Drug Discovery. GPCR Molecular Pharmacology and Drug Targeting: Shifting Paradigms and New Directions/Wiley & Sons, Inc.