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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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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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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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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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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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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8B4T
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8B5F
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4I05
 | | Structure of intermediate processing form of cathepsin B1 from Schistosoma mansoni | | Descriptor: | Cathepsin B-like peptidase (C01 family), SODIUM ION | | Authors: | Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M. | | Deposit date: | 2012-11-16 | | Release date: | 2014-02-05 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Activation route of the Schistosoma mansoni cathepsin B1 drug target: structural map with a glycosaminoglycan switch
Structure, 22, 2014
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4I04
 | | Structure of zymogen of cathepsin B1 from Schistosoma mansoni | | Descriptor: | 1,2-ETHANEDIOL, Cathepsin B-like peptidase (C01 family) | | Authors: | Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M. | | Deposit date: | 2012-11-16 | | Release date: | 2014-02-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Activation route of the Schistosoma mansoni cathepsin B1 drug target: structural map with a glycosaminoglycan switch
Structure, 22, 2014
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4I07
 | | Structure of mature form of cathepsin B1 from Schistosoma mansoni | | Descriptor: | ACETATE ION, CHLORIDE ION, Cathepsin B-like peptidase (C01 family) | | Authors: | Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M. | | Deposit date: | 2012-11-16 | | Release date: | 2014-02-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Activation route of the Schistosoma mansoni cathepsin B1 drug target: structural map with a glycosaminoglycan switch
Structure, 22, 2014
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5DVH
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3QSD
 | | Structure of cathepsin B1 from Schistosoma mansoni in complex with CA074 inhibitor | | Descriptor: | ACETATE ION, Cathepsin B-like peptidase (C01 family), DI(HYDROXYETHYL)ETHER, ... | | Authors: | Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M. | | Deposit date: | 2011-02-21 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural Basis for Inhibition of Cathepsin B Drug Target from the Human Blood Fluke, Schistosoma mansoni.
J.Biol.Chem., 286, 2011
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3S3Q
 | | Structure of cathepsin B1 from Schistosoma mansoni in complex with K11017 inhibitor | | Descriptor: | ACETATE ION, Cathepsin B-like peptidase (C01 family), N~2~-(morpholin-4-ylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-leucinamide | | Authors: | Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M. | | Deposit date: | 2011-05-18 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis for Inhibition of Cathepsin B Drug Target from the Human Blood Fluke, Schistosoma mansoni.
J.Biol.Chem., 286, 2011
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3S3R
 | | Structure of cathepsin B1 from Schistosoma mansoni in complex with K11777 inhibitor | | Descriptor: | Cathepsin B-like peptidase (C01 family), Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide | | Authors: | Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M. | | Deposit date: | 2011-05-18 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structural Basis for Inhibition of Cathepsin B Drug Target from the Human Blood Fluke, Schistosoma mansoni.
J.Biol.Chem., 286, 2011
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6TVJ
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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 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 6
To Be Published
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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 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 1
To Be Published
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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 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Cathepsin B1 from Schistosoma mansoni in complex with gallinamide A
To Be Published
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3NDA
 | | Crystal structure of serpin from tick Ixodes ricinus | | Descriptor: | PENTAETHYLENE GLYCOL, Serpin-2 | | Authors: | Rezacova, P, Kovarova, Z, Chmelar, J, Mares, M. | | Deposit date: | 2010-06-07 | | Release date: | 2010-10-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A tick salivary protein targets cathepsin G and chymase and inhibits host inflammation and platelet aggregation.
Blood, 117, 2011
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6TT6
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5O46
 | | Crystal structure of Iristatin, a secreted salivary cystatin from the hard tick Ixodes ricinus | | Descriptor: | GLYCEROL, Iristatin | | Authors: | Busa, M, Rezacova, P, Kotal, J, Kotsyfakis, M, Mares, M. | | Deposit date: | 2017-05-26 | | Release date: | 2018-06-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | The structure and function of Iristatin, a novel immunosuppressive tick salivary cystatin.
Cell.Mol.Life Sci., 76, 2019
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5OGR
 | | Structure of cathepsin B1 from Schistosoma mansoni in complex with WRR286 inhibitor | | Descriptor: | 3-[[N-[4-METHYL-PIPERAZINYL]CARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID BENZYLOXY-AMIDE, ACETATE ION, Cathepsin B-like peptidase (C01 family) | | Authors: | Jilkova, A, Rezacova, P, Brynda, J, Mares, M. | | Deposit date: | 2017-07-13 | | Release date: | 2018-11-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Druggable Hot Spots in the Schistosomiasis Cathepsin B1 Target Identified by Functional and Binding Mode Analysis of Potent Vinyl Sulfone Inhibitors.
Acs Infect Dis., 2020
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