2HU6
| Crystal structure of human MMP-12 in complex with acetohydroxamic acid and a bicyclic inhibitor | Descriptor: | (1S,5S,7R)-N~7~-(BIPHENYL-4-YLMETHYL)-N~3~-HYDROXY-6,8-DIOXA-3-AZABICYCLO[3.2.1]OCTANE-3,7-DICARBOXAMIDE, ACETOHYDROXAMIC ACID, CALCIUM ION, ... | Authors: | Mannino, C, Nievo, M, Machetti, F, Papakyriakou, A, Calderone, V, Fragai, M, Guarna, A. | Deposit date: | 2006-07-26 | Release date: | 2006-12-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Synthesis of bicyclic molecular scaffolds (BTAa): an investigation towards new selective MMP-12 inhibitors. Bioorg.Med.Chem., 14, 2006
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7ZYF
| Insulin regulated aminopeptidase (IRAP) in complex with a nanomolar alpha hydroxy beta amino acid based inhibitor. | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Mpakali, A, Stratikos, E, Giastas, P, Papakyriakou, A. | Deposit date: | 2022-05-24 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Discovery of Selective Nanomolar Inhibitors for Insulin-Regulated Aminopeptidase Based on alpha-Hydroxy-beta-amino Acid Derivatives of Bestatin. J.Med.Chem., 65, 2022
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7Z28
| High-resolution crystal structure of ERAP1 with bound bestatin analogue inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Giastas, P, Papakyriakou, A, Stratikos, E, Vourloumis, D. | Deposit date: | 2022-02-26 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of Selective Nanomolar Inhibitors for Insulin-Regulated Aminopeptidase Based on alpha-Hydroxy-beta-amino Acid Derivatives of Bestatin. J.Med.Chem., 65, 2022
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5K1V
| Crystal structure of Endoplasmic Reticulum aminopeptidase 2 (ERAP2) in complex with a diaminobenzoic acid derivative ligand. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoplasmic reticulum aminopeptidase 2, ... | Authors: | Saridakis, E, Papakyriakou, A, Giastas, P, Mpakali, A, Mavridis, I.M, Stratikos, E. | Deposit date: | 2016-05-18 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.897 Å) | Cite: | Crystal Structures of ERAP2 Complexed with Inhibitors Reveal Pharmacophore Requirements for Optimizing Inhibitor Potency. ACS Med Chem Lett, 8, 2017
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7BCX
| The adduct of NAMI-A with Hen Egg White Lysozyme at 8 hours. | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, IMIDAZOLE, ... | Authors: | Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A. | Deposit date: | 2020-12-21 | Release date: | 2021-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | 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. Inorg.Chem., 60, 2021
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7BDM
| The adduct of NAMI-A with Hen Egg White Lysozyme at 98 hours. | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme, ... | Authors: | Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A. | Deposit date: | 2020-12-22 | Release date: | 2021-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | 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. Inorg.Chem., 60, 2021
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7BD0
| The adduct of NAMI-A with Hen Egg White Lysozyme at 26 hours. | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, IMIDAZOLE, ... | Authors: | Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A. | Deposit date: | 2020-12-21 | Release date: | 2021-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | 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. Inorg.Chem., 60, 2021
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7BCU
| The adduct of NAMI-A with Hen Egg White Lysozyme at 1.5 hours. | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, IMIDAZOLE, ... | Authors: | Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A. | Deposit date: | 2020-12-21 | Release date: | 2021-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | 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. Inorg.Chem., 60, 2021
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6TVL
| Hen Egg White Lysozyme in complex with a "half sandwich"-type Ru(II) coordination compound | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A. | Deposit date: | 2020-01-10 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.395 Å) | Cite: | High-resolution crystal structures of a "half sandwich"-type Ru(II) coordination compound bound to hen egg-white lysozyme and proteinase K. J.Biol.Inorg.Chem., 25, 2020
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6TXG
| Proteinase K in complex with a "half sandwich"-type Ru(II) coordination compound | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, NITRATE ION, ... | Authors: | Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A. | Deposit date: | 2020-01-14 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.372 Å) | Cite: | High-resolution crystal structures of a "half sandwich"-type Ru(II) coordination compound bound to hen egg-white lysozyme and proteinase K. J.Biol.Inorg.Chem., 25, 2020
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5OQF
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5OQG
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5OQH
| Crystal Structure of a disulfide trapped single chain trimer composed of the MHC I heavy chain H-2Kb Y84C K66A mutant, beta-2microglobulin, and ovalbumin-derived peptide | Descriptor: | Beta-2-microglobulin,H-2 class I histocompatibility antigen, K-B alpha chain | Authors: | Mikolajek, H, Werner, J.M, Beton, M.E. | Deposit date: | 2017-08-11 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The partial dissociation of MHC class I-bound peptides exposes their N terminus to trimming by endoplasmic reticulum aminopeptidase 1. J. Biol. Chem., 293, 2018
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5OQI
| Crystal Structure of a disulfide trapped single chain trimer composed of the MHC I heavy chain H-2Kb Y84C E63A mutant, beta-2microglobulin, and ovalbumin-derived peptide | Descriptor: | Beta-2-microglobulin,H-2 class I histocompatibility antigen, K-B alpha chain | Authors: | Mikolajek, H, Werner, J.M, Beton, M.E. | Deposit date: | 2017-08-11 | Release date: | 2018-04-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The partial dissociation of MHC class I-bound peptides exposes their N terminus to trimming by endoplasmic reticulum aminopeptidase 1. J. Biol. Chem., 293, 2018
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6HBY
| HLA class II peptide flanking residues tune the immunogenicity of a human tumor-derived epitope | Descriptor: | 1,2-ETHANEDIOL, ARRPPLAELAALNLSGSRL 5T4 tumour epitope, HLA class II histocompatibility antigen, ... | Authors: | MacLachlan, B, Rizkallah, P.J, Sewell, A.K, Cole, D.K, Godkin, A.J. | Deposit date: | 2018-08-13 | Release date: | 2019-08-14 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Human leukocyte antigen (HLA) class II peptide flanking residues tune the immunogenicity of a human tumor-derived epitope. J.Biol.Chem., 294, 2019
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4E36
| Crystal structure of the human Endoplasmic Reticulum Aminopeptidase 2 variant N392K | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Birtley, J.R, Saridakis, E, Pegias, P, Stratikos, E, Mavridis, I.M. | Deposit date: | 2012-03-09 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | A common single nucleotide polymorphism in endoplasmic reticulum aminopeptidase 2 induces a specificity switch that leads to altered antigen processing. J.Immunol., 189, 2012
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5J6S
| Crystal structure of Endoplasmic Reticulum Aminopeptidase 2 (ERAP2) in complex with a hydroxamic derivative ligand | Descriptor: | (2S)-N~1~-benzyl-2-[(4-fluorophenyl)methyl]-N~3~-hydroxypropanediamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Saridakis, E, Giastas, P, Mpakali, A, Deprez-Poulain, R, Stratikos, E. | Deposit date: | 2016-04-05 | Release date: | 2017-03-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structures of ERAP2 Complexed with Inhibitors Reveal Pharmacophore Requirements for Optimizing Inhibitor Potency. ACS Med Chem Lett, 8, 2017
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4Z7I
| Crystal structure of insulin regulated aminopeptidase in complex with ligand | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DG025 transition-state analogue enzyme inhibitor, ... | Authors: | Mpakali, A, Saridakis, E, Harlos, K, Zhao, Y, Stratikos, E. | Deposit date: | 2015-04-07 | Release date: | 2015-08-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | Crystal Structure of Insulin-Regulated Aminopeptidase with Bound Substrate Analogue Provides Insight on Antigenic Epitope Precursor Recognition and Processing. J Immunol., 195, 2015
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5C97
| Insulin regulated aminopeptidase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucyl-cystinyl aminopeptidase, ... | Authors: | Mpakali, A, Saridakis, E, Harlos, K, Zhao, Y, Stratikos, E. | Deposit date: | 2015-06-26 | Release date: | 2015-08-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.37 Å) | Cite: | Crystal Structure of Insulin-Regulated Aminopeptidase with Bound Substrate Analogue Provides Insight on Antigenic Epitope Precursor Recognition and Processing. J Immunol., 195, 2015
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4HJ2
| Crystal Structure Analysis of GSTA1-1 in complex with chlorambucil | Descriptor: | Glutathione S-transferase A1, L-gamma-glutamyl-S-(2-{[4-(3-carboxypropyl)phenyl](2-chloroethyl)amino}ethyl)-L-cysteinylglycine | Authors: | Karpusas, M, Chiniadis, L, Labrou, N.E. | Deposit date: | 2012-10-12 | Release date: | 2013-03-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The interaction of the chemotherapeutic drug chlorambucil with human glutathione transferase A1-1: kinetic and structural analysis. Plos One, 8, 2013
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5MJ6
| Ligand-induced conformational change of Insulin-regulated aminopeptidase: insights on catalytic mechanism and active site plasticity. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ... | Authors: | Mpakali, A, Stratikos, E, Saridakis, E, Giastas, P. | Deposit date: | 2016-11-30 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Ligand-Induced Conformational Change of Insulin-Regulated Aminopeptidase: Insights on Catalytic Mechanism and Active Site Plasticity. J. Med. Chem., 60, 2017
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5N1J
| Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Peptidoglycan N-acetylglucosamine deacetylase, ... | Authors: | Giastas, P, Andreou, A, Balomenou, S, Bouriotis, V, Eliopoulos, E.E. | Deposit date: | 2017-02-06 | Release date: | 2018-02-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors. Biochemistry, 57, 2018
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5NEK
| Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with acetazolamide | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, ACETATE ION, Peptidoglycan N-acetylglucosamine deacetylase, ... | Authors: | Andreou, A, Giastas, P, Eliopoulos, E.E. | Deposit date: | 2017-03-10 | Release date: | 2018-02-21 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (3.057 Å) | Cite: | Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors. Biochemistry, 57, 2018
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6HY7
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6RQX
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