6QBH
| Crystal structure of human cathepsin D in complex with macrocyclic inhibitor 33 | Descriptor: | (4~{S},5~{S},9~{S})-5-oxidanyl-4-(phenylmethyl)-9-propan-2-yl-1-oxa-3,8,11-triazacyclodocosane-2,7,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brynda, J, Houstecka, R, Majer, P, Mares, M. | Deposit date: | 2018-12-21 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis. J.Med.Chem., 63, 2020
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6QCB
| Crystal structure of human cathepsin D in complex with macrocyclic inhibitor 9 | Descriptor: | (3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin D, ... | Authors: | Brynda, J, Houstecka, R, Majer, P, Mares, M. | Deposit date: | 2018-12-27 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis. J.Med.Chem., 63, 2020
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3LK3
| Crystal structure of CapZ bound to the CPI and CSI uncapping motifs from CARMIL | Descriptor: | F-actin-capping protein subunit alpha-1, F-actin-capping protein subunit beta isoforms 1 and 2, Leucine-rich repeat-containing protein 16A | Authors: | Hernandez-Valladares, M, Kim, T, Kannan, B, Tung, A, Cooper, J.A, Robinson, R.C. | Deposit date: | 2010-01-27 | Release date: | 2010-04-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structural characterization of a capping protein interaction motif defines a family of actin filament regulators. Nat.Struct.Mol.Biol., 17, 2010
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6ZTK
| Crystal structure of Mialostatin, a gut cystatin from the hard tick Ixodes ricinus | Descriptor: | FRAGMENT OF TRITON X-100, Mialostatin, SULFATE ION | Authors: | Busa, M, Rezacova, P, Mares, M. | Deposit date: | 2020-07-20 | Release date: | 2021-06-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Mialostatin, a Novel Midgut Cystatin from Ixodes ricinus Ticks: Crystal Structure and Regulation of Host Blood Digestion. Int J Mol Sci, 22, 2021
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7QBN
| Structure of cathepsin K in complex with the azadipeptide nitrile inhibitor Gu1303 | Descriptor: | (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | Authors: | Benysek, J, Busa, M, Mares, M. | Deposit date: | 2021-11-19 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes. J Enzyme Inhib Med Chem, 37, 2022
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7QBL
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7QBM
| Structure of the activation intermediate of cathepsin K in complex with the 3-cyano-3-aza-beta-amino acid inhibitor Gu2602 | Descriptor: | ACETATE ION, Cathepsin K, MAGNESIUM ION, ... | Authors: | Benysek, J, Busa, M, Mares, M. | Deposit date: | 2021-11-19 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes. J Enzyme Inhib Med Chem, 37, 2022
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7QBO
| Structure of the activation intermediate of cathepsin K in complex with the azadipeptide nitrile inhibitor Gu1303 | Descriptor: | (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Benysek, J, Busa, M, Mares, M. | Deposit date: | 2021-11-19 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes. J Enzyme Inhib Med Chem, 37, 2022
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6T33
| The unusual structure of Ruminococcin C1 antimicrobial peptide confers activity against clinical pathogens | Descriptor: | Ruminococcin C | Authors: | Chiumento, S, Roblin, C, Bornet, O, Nouailler, M, Muller, C, Basset, C, Kieffer-Jaquinod, S, Coute, Y, Torelli, S, Le Pape, L, Shunemann, V, Jeannot, K, Nicoletti, C, Iranzo, O, Maresca, M, Giardina, T, Fons, M, Devillard, E, Perrier, J, Atta, M, Guerlesquin, F, Lafond, M, Duarte, V. | Deposit date: | 2019-10-10 | Release date: | 2020-08-12 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | The unusual structure of Ruminococcin C1 antimicrobial peptide confers clinical properties. Proc.Natl.Acad.Sci.USA, 117, 2020
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8R6T
| NMR solution structure of thyropin IrThy-Cd from the hard tick Ixodes ricinus | Descriptor: | Putative two thyropin protein (Fragment) | Authors: | Srb, P, Veverka, V, Matouskova, Z, Orsaghova, K, Mares, M. | Deposit date: | 2023-11-23 | Release date: | 2024-02-28 | Last modified: | 2024-03-06 | Method: | SOLUTION NMR | Cite: | An Unusual Two-Domain Thyropin from Tick Saliva: NMR Solution Structure and Highly Selective Inhibition of Cysteine Cathepsins Modulated by Glycosaminoglycans. Int J Mol Sci, 25, 2024
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7PK4
| Tick salivary cystatin Ricistatin in complex with cathepsin V | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L2, DI(HYDROXYETHYL)ETHER, ... | Authors: | Busa, M, Mares, M. | Deposit date: | 2021-08-25 | Release date: | 2022-12-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Protease-bound structure of Ricistatin provides insights into the mechanism of action of tick salivary cystatins in the vertebrate host. Cell.Mol.Life Sci., 80, 2023
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5N7N
| CRYSTAL STRUCTURE OF CATHEPSIN D ZYMOGEN FROM THE TICK IXODES RICINUS (IRCD1) | Descriptor: | AMMONIUM ION, Putative cathepsin d, SULFATE ION | Authors: | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | Deposit date: | 2017-02-21 | Release date: | 2017-12-27 | Last modified: | 2018-03-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite. Cell Chem Biol, 25, 2018
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8CD9
| Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 6 | Descriptor: | 1,2-ETHANEDIOL, Cathepsin B-like peptidase (C01 family), SODIUM ION, ... | Authors: | Rubesova, P, Brynda, J, Fanfrlik, J, Gerwick, W.H, Mares, M. | Deposit date: | 2023-01-30 | Release date: | 2024-02-21 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis. Acs Infect Dis., 10, 2024
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8CC2
| Cathepsin B1 from Schistosoma mansoni in complex with gallinamide A | Descriptor: | Cathepsin B-like peptidase (C01 family), SODIUM ION, gallinamide A, ... | Authors: | Rubesova, P, Brynda, J, Mares, M, Gerwick, W.H. | Deposit date: | 2023-01-26 | Release date: | 2024-02-07 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis. Acs Infect Dis., 10, 2024
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8CCU
| Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 1 | Descriptor: | Cathepsin B-like peptidase (C01 family), SODIUM ION, [(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-2-(2-methylpropyl)-5-oxidanylidene-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S},3~{S})-2-(dimethylamino)-3-methyl-pentanoate | Authors: | Rubesova, P, Brynda, J, Gerwick, W.H, Mares, M. | Deposit date: | 2023-01-27 | Release date: | 2024-02-07 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis. Acs Infect Dis., 10, 2024
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5DVH
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3A59
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5N71
| CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) | Descriptor: | DI(HYDROXYETHYL)ETHER, Putative cathepsin d, SULFATE ION | Authors: | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | Deposit date: | 2017-02-17 | Release date: | 2017-12-27 | Last modified: | 2018-03-28 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite. Cell Chem Biol, 25, 2018
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5N7Q
| CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) IN COMPLEX WITH THE INHIBITOR PEPSTATIN A | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, PEPSTATIN A, ... | Authors: | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | Deposit date: | 2017-02-21 | Release date: | 2017-12-27 | Last modified: | 2018-06-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite. Cell Chem Biol, 25, 2018
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5N70
| CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) IN COMPLEX WITH THE N-TERMINAL OCTAPEPTIDE OF THE PROPEPTID | Descriptor: | ALA-PHE-ARG-ILE-PRO-LEU-THR-ARG, Putative cathepsin d | Authors: | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | Deposit date: | 2017-02-17 | Release date: | 2017-12-27 | Last modified: | 2018-03-28 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite. Cell Chem Biol, 25, 2018
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8B4T
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8B5F
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5AJP
| Crystal structure of the active form of GalNAc-T2 in complex with UDP and the glycopeptide MUC5AC-13 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MANGANESE (II) ION, MUCIN, ... | Authors: | Lira-Navarrete, E, delasRivas, M, Companon, I, Pallares, M.C, Kong, Y, Iglesias-Fernandez, J, Bernardes, G.J.L, Peregrina, J.M, Rovira, C, Bernado, P, Bruscolini, P, Clausen, H, Lostao, A, Corzana, F, Hurtado-Guerrero, R. | Deposit date: | 2015-02-26 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation. Nat.Commun., 6, 2015
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5AJO
| Crystal structure of the inactive form of GalNAc-T2 in complex with the glycopeptide MUC5AC-3,13 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUCIN, POLYPEPTIDE N-ACETYLGALACTOSAMINYLTRANSFERASE 2, ... | Authors: | Lira-Navarrete, E, delasRivas, M, Companon, I, Pallares, M.C, Kong, Y, Iglesias-Fernandez, J, Bernardes, G.J.L, Peregrina, J.M, Rovira, C, Bernado, P, Bruscolini, P, Clausen, H, Lostao, A, Corzana, F, Hurtado-Guerrero, R. | Deposit date: | 2015-02-26 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation. Nat.Commun., 6, 2015
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5AJN
| Crystal structure of the inactive form of GalNAc-T2 in complex with the glycopeptide MUC5AC-Cys13 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUCIN, ... | Authors: | Lira-Navarrete, E, delasRivas, M, Companon, I, Pallares, M.C, Kong, Y, Iglesias-Fernandez, J, Bernardes, G.J.L, Peregrina, J.M, Rovira, C, Bernado, P, Bruscolini, P, Clausen, H, Lostao, A, Corzana, F, Hurtado-Guerrero, R. | Deposit date: | 2015-02-26 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation. Nat.Commun., 6, 2015
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