Mpakali, A.; Georgaki, G.; Buson, A.; Findlay, D.A.; Foot, S.J.; Mauvais, F-X.; van Endert, P.; Giastas, P.; Hamprecht, W.D.; Stratikos, E. Stabilization of the open conformation οf insulin‐regulated aminopeptidase by a novel substrate‐selective small‐molecule inhibitor. Prot. Sci. 2024, 33 (9), e5151. https://doi.org/10.1002/pro.5151

      Mpakali, A.; Barla, I.; Lu, L.; Ramesh, K. M.; Thomaidis, N.; Stern, L. J.; Giastas, P.; Stratikos, E. Mechanisms of Allosteric Inhibition of Insulin-Regulated Aminopeptidase. J Mol Biol 2024, 436 (6), 168449. https://doi.org/10.1016/j.jmb.2024.168449.

    Ridgway, H.; Moore, G. J.; Gadanec, L. K.; Zulli, A.; Apostolopoulos, V.; Hoffmann, W.; Węgrzyn, K.; Vassilaki, N.; Mpekoulis, G.; Zouridakis, M.; Giastas, P.; Vidali, V. P.; Kelaidonis, K.; Matsoukas, M.-T.; Dimitriou, M.; Mavromoustakos, T.; Tsiodras, S.; Gorgoulis, V. G.; Karakasiliotis, I.; Chasapis, C. T.; Matsoukas, J. M. Novel Benzimidazole Angiotensin Receptor Blockers with Anti-SARS-CoV-2 Activity Equipotent to That of Nirmatrelvir: Computational and Enzymatic Studies. Expert Opin Ther Targets 2024, 28 (5), 437–459. https://doi.org/10.1080/14728222.2024.2362675.

     Giastas, P.; Papakyriakou, A.; Tsafaras, G.; Tzartos, S. J.; Zouridakis, M. Structural Insights into the Role of Β3 NAChR Subunit in the Activation of Nicotinic Receptors. Molecules 2022, 27 (14), 4642. https://doi.org/10.3390/molecules27144642

     Camberlein, V.; Fléau, C.; Sierocki, P.; Li, L.; Gealageas, R.; Bosc, D.; Guillaume, V.; Warenghem, S.; Leroux, F.; Rosell, M.; Cheng, K.; Medve, L.; Prigent, M.; Decanter, M.; Piveteau, C.; Biela, A.; Eveque, M.; Dumont, J.; Mpakali, A.; Giastas, P.; Herledan, A.; Couturier, C.; Haupenthal, J.; Lesire, L.; Hirsch, A. K. H.; Deprez, B.; Stratikos, E.; Bouvier, M.; Deprez‐Poulain, R. Discovery of the First Selective Nanomolar Inhibitors of ERAP2 by Kinetic Target‐Guided Synthesis. Angewandte Chemie International Edition 2022, 61 (39). https://doi.org/10.1002/anie.202203560.

       Vourloumis, D.; Mavridis, I.; Athanasoulis, A.; Temponeras, I.; Koumantou, D.; Giastas, P.; Mpakali, A.; Magrioti, V.; Leib, J.; van Endert, P.; Stratikos, E.; Papakyriakou, A. Discovery of Selective Nanomolar Inhibitors for Insulin-Regulated Aminopeptidase Based on α-Hydroxy-β-Amino Acid Derivatives of Bestatin. Journal of Medicinal Chemistry 2022. https://doi.org/10.1021/acs.jmedchem.2c00904.

       Mpakali, A.; Georgiadis, D.; Stratikos, E.; Giastas, P.* Inhibitor-Dependent Usage of the S1′ Specificity Pocket of ER Aminopeptidase 2. ACS Medicinal Chemistry Letters 2022, 13 (2), 218–224. https://doi.org/10.1021/acsmedchemlett.1c00582 

      Chiniadis, L.; Giastas, P.; Bratsos, I.; Papakyriakou, A. Insights into the Protein Ruthenation Mechanism by Antimetastatic Metallodrugs: High-Resolution X-Ray Structures of the Adduct Formed between Hen Egg-White Lysozyme and NAMI-A at Various Time Points. Inorganic Chemistry 2021, 60 (14), 10729–10737. https://doi.org/10.1021/acs.inorgchem.1c01441

     Mpakali, A.; Saridakis, E.; Giastas, P.; Maben, Z.; Stern, L. J.; Larhed, M.; Hallberg, M.; Stratikos, E. Structural Basis of Inhibition of Insulin-Regulated Aminopeptidase by a Macrocyclic Peptidic Inhibitor. ACS Medicinal Chemistry Letters 2020, 11 (7), 1429–1434. https://doi.org/10.1021/acsmedchemlett.0c00172.

    Chiniadis, L.; Bratsos, I.; Bethanis, K.; Karpusas, M.; Giastas, P.*; Papakyriakou, A. High-Resolution Crystal Structures of a “Half Sandwich”-Type Ru(II) Coordination Compound Bound to Hen Egg-White Lysozyme and Proteinase K. Journal of Biological Inorganic Chemistry 2020, 25 (4), 635–645. https://doi.org/10.1007/s00775-020-01786-z 

       Giastas, P.; Mpakali, A.; Papakyriakou, A.; Lelis, A.; Kokkala, P.; Neu, M.; Rowland, P.; Liddle, J.; Georgiadis, D.; Stratikos, E. Mechanism for Antigenic Peptide Selection by Endoplasmic Reticulum Aminopeptidase 1. Proc Natl Acad Sci U S A 2019, 116 (52), 26709–26716. https://doi.org/10.1073/pnas.1912070116.

     Giastas, P.; Neu, M.; Rowland, P.; Stratikos, E. High-Resolution Crystal Structure of Endoplasmic Reticulum Aminopeptidase 1 with Bound Phosphinic Transition-State Analogue Inhibitor. ACS Medicinal Chemistry Letters 2019, 10 (5), 708–713. https://doi.org/10.1021/acsmedchemlett.9b00002.

     Andreou, A.; Giastas, P.; Arnaouteli, S.; Tzanodaskalaki, M.; Tzartos, S. J.; Bethanis, K.; Bouriotis, V.; Eliopoulos, E. E. The Putative Polysaccharide Deacetylase Ba0331: Cloning, Expression, Crystallization and Structure Determination. Acta Crystallographica Section F: Structural Biology Communications 2019, 75 (4), 312–320. https://doi.org/10.1107/S2053230X19001766

       Zouridakis, M.; Papakyriakou, A.; Ivanov, I. A.; Kasheverov, I. E.; Tsetlin, V.; Tzartos, S.; Giastas, P.* Crystal Structure of the Monomeric Extracellular Domain of Α9 Nicotinic Receptor Subunit in Complex with α-Conotoxin RgIA: Molecular Dynamics Insights into RgIA Binding to Α9α10 Nicotinic Receptors. Frontiers in Pharmacology 2019, 10 (MAY). https://doi.org/10.3389/fphar.2019.00474

       Giastas, P.*; Andreou, A.; Papakyriakou, A.; Koutsioulis, D.; Balomenou, S.; Tzartos, S. J.; Bouriotis, V.; Eliopoulos, E. E. Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors. Biochemistry 2018, 57 (5), 753–763. https://doi.org/10.1021/acs.biochem.7b00919 

    Giastas, P.; Zouridakis, M.; Tzartos, S. J. Understanding Structure–Function Relationships of the Human Neuronal Acetylcholine Receptor: Insights from the First Crystal Structures of Neuronal Subunits. British Journal of Pharmacology 2018, 175 (11), 1880–1891. https://doi.org/10.1111/bph.13838.

       Andreou, A.; Giastas, P.; Christoforides, E.; Eliopoulos, E. E. Structural and Evolutionary Insights within the Polysaccharide Deacetylase Gene Family of Bacillus Anthracis and Bacillus Cereus. Genes (Basel) 2018, 9 (8). https://doi.org/10.3390/genes9080386.

     Mpakali, A.; Saridakis, E.; Harlos, K.; Zhao, Y.; Kokkala, P.; Georgiadis, D.; Giastas, P.; Papakyriakou, A.; Stratikos, E. Ligand-Induced Conformational Change of Insulin-Regulated Aminopeptidase: Insights on Catalytic Mechanism and Active Site Plasticity. Journal of Medicinal Chemistry 2017, 60 (7), 2963–2972. https://doi.org/10.1021/acs.jmedchem.6b01890.

       Mpakali, A.; Giastas, P.; Deprez-Poulain, R.; Papakyriakou, A.; Koumantou, D.; Gealageas, R.; Tsoukalidou, S.; Vourloumis, D.; Mavridis, I. M.; Stratikos, E.; Stratikos, E.; Saridakis, E. Crystal Structures of ERAP2 Complexed with Inhibitors Reveal Pharmacophore Requirements for Optimizing Inhibitor Potency. ACS Medicinal Chemistry Letters 2017, 8 (3), 333–337. https://doi.org/10.1021/acsmedchemlett.6b00505.

    Chatziefthimiou, S. D.; Inclán, M.; Giastas, P.; Papakyriakou, A.; Yannakopoulou, K.; Mavridis, I. M. Molecular Recognition of N-Acetyltryptophan Enantiomers by β-Cyclodextrin. Beilstein Journal of Organic Chemistry 2017, 13, 1572–1582. https://doi.org/10.3762/bjoc.13.157.

      Kouvatsos, N.; Giastas, P.; Chroni-Tzartou, D.; Poulopoulou, C.; Tzartos, S. J. Crystal Structure of a Human Neuronal NAChR Extracellular Domain in Pentameric Assembly: Ligand-Bound Α2 Homopentamer. Proc Natl Acad Sci U S A 2016, 113 (34), 9635–9640. https://doi.org/10.1073/pnas.1602619113

       Kaloudi-Chantzea, A.; Martinou, E.; Seintis, K.; Karakostas, N.; Giastas, P.; Pitterl, F.; Oberacher, H.; Fakis, M.; Pistolis, G. Formation of a Highly-Ordered Rigid Multichromophoric 3D Supramolecular Network by Combining Ionic and Coordination-Driven Self-Assembly. Chemical Communications 2016, 52 (16), 3388–3391. https://doi.org/10.1039/c5cc10335e.

      Arnaouteli, S.; Giastas, P.; Andreou, A.; Tzanodaskalaki, M.; Aldridge, C.; Tzartos, S. J.; Vollmer, W.; Eliopoulos, E.; Bouriotis, V. Two Putative Polysaccharide Deacetylases Are Required for Osmotic Stability and Cell Shape Maintenance in Bacillus Anthracis. Journal of Biological Chemistry 2015, 290 (21), 13465–13478. https://doi.org/10.1074/jbc.M115.640029.

      Azam, L.; Papakyriakou, A.; Zouridakis, M.; Giastas, P.; Tzartos, S. J.; McIntosh, J. M. Molecular Interaction of α-Conotoxin RgIA with the Rat α9α10 Nicotinic Acetylcholine Receptors. Molecular Pharmacology 2015, 87 (5), 855–864. https://doi.org/10.1124/mol.114.096511.

       Mpakali, A.; Giastas, P.; Mathioudakis, N.; Mavridis, I. M.; Saridakis, E.; Stratikos, E. Structural Basis for Antigenic Peptide Recognition and Processing by Endoplasmic Reticulum (ER) Aminopeptidase 2. Journal of Biological Chemistry 2015, 290 (43), 26021–26032. https://doi.org/10.1074/jbc.M115.685909.

      Zouridakis, M.; Giastas, P.; Zarkadas, E.; Chroni-Tzartou, D.; Bregestovski, P.; Tzartos, S. J. Crystal Structures of Free and Antagonist-Bound States of Human ± 9 Nicotinic Receptor Extracellular Domain. Nature Structural and Molecular Biology 2014, 21 (11), 976–980. https://doi.org/10.1038/nsmb.2900

     Boltsis, I.; Lagoumintzis, G.; Chatzileontiadou, D. S. M.; Giastas, P.; Tzartos, S. J.; Leonidas, D. D.; Poulas, K. Non-Contact Current Transfer Induces the Formation and Improves the X-Ray Diffraction Quality of Protein Crystals. Crystal Growth and Design 2014, 14 (9), 4347–4354. https://doi.org/10.1021/cg5004098.

    Lazaridis, K.; Zisimopoulou, P.; Giastas, P.; Bitzopoulou, K.; Evangelakou, P.; Sideri, A.; Tzartos, S. J. Expression of Human AChR Extracellular Domain Mutants with Improved Characteristics. International Journal of Biological Macromolecules 2014, 63, 210–217. https://doi.org/10.1016/j.ijbiomac.2013.11.003.

   Grigoropoulos, A.; Maganas, D.; Symeonidis, D.; Giastas, P.; Cowley, A. R.; Kyritsis, P.; Pneumatikakis, G. Synthesis of Chalcogenidoimidodiphosphinato-RhI Complexes and DFT Investigation of Their Catalytic Activation in Olefin Hydroformylation. European Journal of Inorganic Chemistry 2013, No. 7, 1170–1183. https://doi.org/10.1002/ejic.201200921.

     Evnouchidou, I.; Birtley, J.; Seregin, S.; Papakyriakou, A.; Zervoudi, E.; Samiotaki, M.; Panayotou, G.; Giastas, P.; Petrakis, O.; Georgiadis, D.; Mavridis, I. M.; Stratikos, E. A Common Single Nucleotide Polymorphism in Endoplasmic Reticulum Aminopeptidase 2 Induces a Specificity Switch That Leads to Altered Antigen Processing. Journal of Immunology 2012, 189 (5), 2383–2392. https://doi.org/10.4049/jimmunol.1200918.

     Saridakis, E.; Giastas, P.; Efthymiou, G.; Thoma, V.; Moulis, J.-M.; Kyritsis, P.; Mavridis, I. M. Insight into the Protein and Solvent Contributions to the Reduction Potentials of [4Fe-4S]2+/+ Clusters: Crystal Structures of the Allochromatium Vinosum Ferredoxin Variants C57A and V13G and the Homologous Escherichia Coli Ferredoxin. Journal of Biological Inorganic Chemistry 2009, 14 (5), 783–799. https://doi.org/10.1007/s00775-009-0492-x

     Paulidou, A.; Giastas, P.; Mourtzis, N.; Yannakopoulou, K.; Mavridis, I. M. Crystal and Molecular Structure of Octakis(6-Bromo-6-Deoxy)-γ-Cyclodextrin. A Novel Stacking of a Distorted Macrocycle. Carbohydrate Research 2007, 342 (11), 1519–1524. https://doi.org/10.1016/j.carres.2007.05.020.

     Giastas, P.; Pinotsis, N.; Efthymiou, G.; Wilmanns, M.; Kyritsis, P.; Moulis, J.-M.; Mavridis, I. M. The Structure of the 2[4Fe-4S] Ferredoxin from Pseudomonas Aeruginosa at 1.32-Å Resolution: Comparison with Other High-Resolution Structures of Ferredoxins and Contributing Structural Features to Reduction Potential Values. Journal of Biological Inorganic Chemistry 2006, 11 (4), 445–458. https://doi.org/10.1007/s00775-006-0094-9.

    Yoshizawa, K.; Toyota, S.; Toda, F.; Chatziefthimiou, S.; Giastas, P.; Mavridis, I. M.; Kato, M. Control of Differential Inclusion Complexation in the Solid State by Seed Crystals. Angewandte Chemie - International Edition 2005, 44 (32), 5097–5100. https://doi.org/10.1002/anie.200501364.

       Tsorteki, F.; Bethanis, K.; Pinotsis, N.; Giastas, P.; Mentzafos, D. Inclusion Compounds of Plant Growth Regulators in Cyclodextrins. V. 4-Chlorophenoxyacetic Acid Encapsulated in β-Cyclodextrin and Heptakis(2,3,6-Tri-O-Methyl)-β-Cyclodextrin. Acta Crystallographica Section B: Structural Science 2005, 61 (2), 207–217. https://doi.org/10.1107/S0108768105004106.

    Giastas, P.; Eliadou, K.; Plyta, Z. F.; Yannakopoulou, K.; Mavridis, I. M. X-Ray Crystallography and Solution NMR Spectroscopy Characterization of Heptakis(2,3-Di-O-Acetyl-6-Bromo-6-Deoxy)Cyclomaltoheptaose. Carbohydrate Research 2004, 339 (6), 1189–1194. https://doi.org/10.1016/j.carres.2004.01.012.

   Giastas, P.; Yannakopoulou, K.; Mavridis, I. M. Molecular Structures of the Inclusion Complexes β-Cyclodextrin-1,2- Bis(4-Aminophenyl)Ethane and β-Cyclodextrin-4,4′-Diaminobiphenyl; Packing of Dimeric β-Cyclodextrin Inclusion Complexes. Acta Crystallographica Section B: Structural Science 2003, 59 (2), 287–299. https://doi.org/10.1107/S010876810300257X.

     Eliadou, K.; Giastas, P.; Yannakopoulou, K.; Mavridis, I. M. Synthesis of 6-Mono-6-Deoxy-β-Cyclodextrins Substituted with Isomeric Aminobenzoic Acids. Structural Characterization, Conformational Preferences, and Self-Inclusion as Studied by NMR Spectroscopy in Aqueous Solution and by X-Ray Crystallography in the So. Journal of Organic Chemistry 2003, 68 (22), 8550–8557. https://doi.org/10.1021/jo034503+.

      Yagi, M.; Hirano, S.; Toyota, S.; Toda, F.; Giastas, P.; Marvidis, I. M. Photoreactions of 2- and 4-Pyridones in Their Inclusion Crystal with a Host Compound. Heterocycles 2003, 59 (2), 735–744. https://doi.org/10.3987/com-02-s85.

      Giastas, P.; Mourtzis, N.; Yannakopoulou, K.; Mavridis, I. M. Pseudorotaxanes of β-Cyclodextrin with Diamino End-Functionalized Oligo-Phenyl and -Benzyl Compounds in Solution and in the Solid State. Journal of Inclusion Phenomena 2002, 44 (1–4), 247–250. https://doi.org/10.1023/A:1023029912938.

      Salakhutdinov, B. A.; Dalimov, D. N.; Aripov, T. F.; Tukfatullina, I. I.; Ziyatdinova, R. Kh.; Dzhuraev, A. Zh.; Kamaev, F. G.; Izotova, L. Yu.; Ibragimov, B. T.; Mavridis, I.; Mavridis, I.; Giastas, P. Synthesis, Structure, and Membrane Activity of New Glycyrrhetic Acid Derivatives. Chemistry of Natural Compounds 2002, 38 (3), 249–256. https://doi.org/10.1023/A:1020479911050.