Education:
  • Graduate Certificate in Leadership, University of Virginia (2016-2019)
  • Ph.D. in Chemistry - A.N. Bach Institute of Biochemistry, Russian Academy of Sciences (2006-2010)
  • M.Sc. - Moscow State University (2001-2006)
Research Interest:
  • Development of novel antimicrobials to cope with antibiotic resistance
  • High-throughput structure determination and functional studies of proteins (including potential drug-targets) from pathogens causing emerging and re-emerging infectious diseases using a combination of X-ray crystallography and other biophysical methods.
  • Developing integrative techniques for highly efficient protein crystallization with a goal of maximizing the number of successful crystallizations, yet minimizing the resources used.
  • Macromolecular structure elucidation and refinement. Exploration of novel methods for crystallographic structure solution and solving "mission impossible" structures.
  • Quality assessment of crystallographic protein structures. Ligand and metal identification and judicious modeling.
  • Metal binding to protein and RNA. Developing a protocol for characterizing metal binding sites in proteins with X-ray crystallography. Developing a protocol for Mg-binding sites validation and classification in RNA crystal structures.
CV:
  • Published 25 peer-reviewed publications and 2 book chapters
  • Deposited more than 120 protein structures to the PDB
  • Presentated at 24 conferences and workshops, including 8 invited talks
  • Taught a 5-day course “Structure determination with HKL3000” at RapiData – a practical course in macromolecular X-ray diffraction data collection, data processing and structure solution, Stanford University (2017, 2018, and 2019)
  • Lectured on data processing with HKL3000, structure refinement and validation at Workshop on data collection and structure solving in macromolecular X-ray diffraction. Krakow, Poland (2019)
  • Co-developed an integrative protocol for highly efficient protein crystallization. Achieved 45% success rate for a set of 95 proteins (structure determined for 46 proteins)
  • Co-developed an integrative protocol for characterizing metal-binding sites in proteins with X-ray crystallography
  • Recipient of the Best Postdoc Poster Award at 43rd Mid-Atlantic Macromolecular Crystallography Meeting (2013)
  • Four awards during graduate/undergraduate studies
  • Contributed to the development of MgRNA server https://csgid.org/csgid/metalnas/
  • Contributed to the development of CheckMyMetal server https://csgid.org/csgid/metal_sites/
  • Contributed to the development of 2HADH knowledgebase http://2hadh.bioreproducibility.org/

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Publications with the Minor Lab

  1. Majorek KA, Zimmerman MD, Grabowski M, Shabalin I, Zheng H, Minor W (2020)
    Assessment of Crystallographic Structure Quality and Protein–Ligand Complex Structure Validation
    in Structural Biology in Drug Discovery: Methods, Techniques, and Practices : 253-275. [DOI:10.1002/9781118681121.ch11]
  2. Shabalin IG, Gritsunov A, Hou J, Sławek J, Miks CD, Cooper DR, Minor W, Christendat D (2019)
    Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
    FEBS J. [DOI:10.1111/febs.15150] [Pub Med ID: 31750992]
  3. Grabowski M, Cymborowski M, Porebski PJ, Osinski T, Shabalin IG, Cooper D, Cooper DR, Minor W (2019)
    The Integrated Resource for Reproducibility in Macromolecular Crystallography: Experiences of the first four years.
    Struct Dyn 6: 064301. [DOI:10.1063/1.5128672] [Pub Med ID: 31768399] [Pub Med Central ID: PMC6874509]
  4. Lipowska J, Miks CD, Kwon K, Shuvalova L, Zheng H, Lewiński K, Cooper DR, Shabalin IG, Minor W (2019)
    Pyrimidine biosynthesis in pathogens - Structures and analysis of dihydroorotases from Yersinia pestis and Vibrio cholerae.
    Int. J. Biol. Macromol. 136: 1176-1187. [DOI:10.1016/j.ijbiomac.2019.05.149] [Pub Med ID: 31207330] [Pub Med Central ID: PMC6686667] Times cited: 1
  5. Czub MP, Venkataramany BS, Majorek KA, Handing KB, Porebski PJ, Beeram SR, Suh K, Woolfork AG, Hage DS, Shabalin IG, Minor W (2019)
    Testosterone meets albumin - the molecular mechanism of sex hormone transport by serum albumins.
    Chem Sci 10: 1607-1618. [DOI:10.1039/c8sc04397c] [Pub Med ID: 30842823] [Pub Med Central ID: PMC6371759] Times cited: 4
  6. Kowiel M, Brzezinski D, Porebski PJ, Shabalin IG, Jaskolski M, Minor W (2019)
    Automatic recognition of ligands in electron density by machine learning.
    Bioinformatics 35: 452-461. [DOI:10.1093/bioinformatics/bty626] [Pub Med ID: 30016407] [Pub Med Central ID: PMC6361236] Times cited: 4
  7. Grabowski M, Shabalin I, Porebski PJ, Domagalski MJ, Zheng H, Cooper D, Venkataramany BS, Bourne PE, Minor W (2019)
    Data Sharing in Structural Biology: Advances and Challenges
    in Data Sharing: Recent Progress and Remaining Challenges - Computer Science, Technology and Applications, Nova Science Publishers, New York : 29-68.
  8. Matelska D, Shabalin IG, Jabłońska J, Domagalski MJ, Kutner J, Ginalski K, Minor W (2019)
    Classification, substrate specificity and structural features of D-2-hydroxyacid dehydrogenases: 2HADH knowledgebase.
    BMC Evol. Biol. 18: 199. [DOI:10.1186/s12862-018-1309-8] [Pub Med ID: 30577795] [Pub Med Central ID: PMC6303947] Times cited: 3
  9. Mussakhmetov A, Shumilin IA, Nugmanova R, Shabalin IG, Baizhumanov T, Toibazar D, Khassenov B, Minor W, Utepbergenov D (2018)
    A transient post-translational modification of active site cysteine alters binding properties of the parkinsonism protein DJ-1.
    Biochem. Biophys. Res. Commun. 504: 328-333. [DOI:10.1016/j.bbrc.2018.08.190] [Pub Med ID: 30190129] Times cited: 4
  10. Raczynska JE, Shabalin IG, Minor W, Wlodawer A, Jaskolski M (2018)
    A close look onto structural models and primary ligands of metallo-β-lactamases.
    Drug Resist. Updat. 40: 1-12. [DOI:10.1016/j.drup.2018.08.001] [Pub Med ID: 30466711] [Pub Med Central ID: PMC6260963] Times cited: 8
  11. Handing KB, Niedzialkowska E, Shabalin IG, Kuhn ML, Zheng H, Minor W (2018)
    Characterizing metal-binding sites in proteins with X-ray crystallography.
    Nat Protoc 13: 1062-1090. [DOI:10.1038/nprot.2018.018] [Pub Med ID: 29674755] [Pub Med Central ID: PMC6235626] Times cited: 14
    F1000 Recommended Publication
  12. Kutner J, Shabalin IG, Matelska D, Handing KB, Gasiorowska O, Sroka P, Gorna MW, Ginalski K, Wozniak K, Minor W (2018)
    Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies.
    Biochemistry 57: 963-977. [DOI:10.1021/acs.biochem.7b01137] [Pub Med ID: 29309127] [Pub Med Central ID: PMC6469932] Times cited: 6
  13. Shabalin IG, Porebski PJ, Minor W (2018)
    Refining the macromolecular model - achieving the best agreement with the data from X-ray diffraction experiment.
    Crystallogr Rev 24: 236-262. [DOI:10.1080/0889311X.2018.1521805] [Pub Med ID: 30416256] [Pub Med Central ID: PMC6219471] Times cited: 8
  14. Zheng H, Cooper DR, Porebski PJ, Shabalin IG, Handing KB, Minor W (2017)
    CheckMyMetal: a macromolecular metal-binding validation tool.
    Acta Crystallogr D Struct Biol 73: 223-233. [DOI:10.1107/S2059798317001061] [Pub Med ID: 28291757] [Pub Med Central ID: PMC5349434] Times cited: 66
  15. Handing KB, Shabalin IG, Kassaar O, Khazaipoul S, Blindauer CA, Stewart AJ, Chruszcz M, Minor W (2016)
    Circulatory zinc transport is controlled by distinct interdomain sites on mammalian albumins.
    Chem Sci 7: 6635-6648. [DOI:10.1039/c6sc02267g] [Pub Med ID: 28567254] [Pub Med Central ID: PMC5450522] Times cited: 21
  16. Niedzialkowska E, Gasiorowska O, Handing KB, Majorek KA, Porebski PJ, Shabalin IG, Zasadzinska E, Cymborowski M, Minor W (2016)
    Protein purification and crystallization artifacts: The tale usually not told.
    Protein Sci. 25: 720-33. [DOI:10.1002/pro.2861] [Pub Med ID: 26660914] [Pub Med Central ID: PMC4815408] Times cited: 17
  17. Handing KB, Shabalin IG, Szlachta K, Majorek KA, Minor W (2016)
    Crystal structure of equine serum albumin in complex with cetirizine reveals a novel drug binding site.
    Mol. Immunol. 71: 143-151. [DOI:10.1016/j.molimm.2016.02.003] [Pub Med ID: 26896718] [Pub Med Central ID: PMC4800003] Times cited: 9
  18. Shabalin I, Dauter Z, Jaskolski M, Minor W, Wlodawer A (2015)
    Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
    Acta Crystallogr D Biol Crystallogr. 71: 1965-79. [DOI:10.1107/S139900471500629X] [Pub Med ID: 26327386] [Pub Med Central ID: PMC4556316] Times cited: 31
  19. Zhou D, Hansen D, Shabalin IG, Gustchina A, Vieira DF, de Brito MV, Araújo AP, Oliva ML, Wlodawer A (2015)
    Structure of BbKI, a disulfide-free plasma kallikrein inhibitor.
    Acta Crystallogr F Struct Biol Commun 71: 1055-62. [DOI:10.1107/S2053230X15011127] [Pub Med ID: 26249699] [Pub Med Central ID: PMC4528941] Times cited: 3
  20. Zheng H, Shabalin IG, Handing KB, Bujnicki JM, Minor W (2015)
    Magnesium-binding architectures in RNA crystal structures: validation, binding preferences, classification and motif detection.
    Nucleic Acids Res. 43: 3789-801. [DOI:10.1093/nar/gkv225] [Pub Med ID: 25800744] [Pub Med Central ID: PMC4402538] Times cited: 37
  21. Zheng H, Handing KB, Zimmerman MD, Shabalin IG, Almo SC, Minor W (2015)
    X-ray crystallography over the past decade for novel drug discovery - where are we heading next?
    Expert Opin Drug Discov 10: 975-89. [DOI:10.1517/17460441.2015.1061991] [Pub Med ID: 26177814] [Pub Med Central ID: PMC4655606] Times cited: 28
  22. Shabalin IG, Porebski PJ, Cooper DR, Grabowski M, Onopriyenko O, Grimshaw S, Savchenko A, Chruszcz M, Minor W (2012)
    Structure of anabolic ornithine carbamoyltransferase from Campylobacter jejuni at 2.7 Å resolution.
    Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun. 68: 1018-24. [DOI:10.1107/S1744309112031259] [Pub Med ID: 22949186] [Pub Med Central ID: PMC3433189] Times cited: 4