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6T33
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The unusual structure of Ruminococcin C1 antimicrobial peptide confers activity against clinical pathogens
分子名称: Ruminococcin C
著者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.
登録日2019-10-10
公開日2020-08-12
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献The unusual structure of Ruminococcin C1 antimicrobial peptide confers clinical properties.
Proc.Natl.Acad.Sci.USA, 117, 2020
7PK4
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Tick salivary cystatin Ricistatin in complex with cathepsin V
分子名称: 1,2-ETHANEDIOL, Cathepsin L2, DI(HYDROXYETHYL)ETHER, ...
著者Busa, M, Mares, M.
登録日2021-08-25
公開日2022-12-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献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
5N71
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CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1)
分子名称: DI(HYDROXYETHYL)ETHER, Putative cathepsin d, SULFATE ION
著者Brynda, J, Hanova, I, Hobizalova, R, Mares, M.
登録日2017-02-17
公開日2017-12-27
最終更新日2018-03-28
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Cell Chem Biol, 25, 2018
5N7Q
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BU of 5n7q by Molmil
CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) IN COMPLEX WITH THE INHIBITOR PEPSTATIN A
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, PEPSTATIN A, ...
著者Brynda, J, Hanova, I, Hobizalova, R, Mares, M.
登録日2017-02-21
公開日2017-12-27
最終更新日2018-06-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Cell Chem Biol, 25, 2018
5N70
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CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) IN COMPLEX WITH THE N-TERMINAL OCTAPEPTIDE OF THE PROPEPTID
分子名称: ALA-PHE-ARG-ILE-PRO-LEU-THR-ARG, Putative cathepsin d
著者Brynda, J, Hanova, I, Hobizalova, R, Mares, M.
登録日2017-02-17
公開日2017-12-27
最終更新日2018-03-28
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Cell Chem Biol, 25, 2018
5N7N
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BU of 5n7n by Molmil
CRYSTAL STRUCTURE OF CATHEPSIN D ZYMOGEN FROM THE TICK IXODES RICINUS (IRCD1)
分子名称: AMMONIUM ION, Putative cathepsin d, SULFATE ION
著者Brynda, J, Hanova, I, Hobizalova, R, Mares, M.
登録日2017-02-21
公開日2017-12-27
最終更新日2018-03-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Cell Chem Biol, 25, 2018
8R6T
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BU of 8r6t by Molmil
NMR solution structure of thyropin IrThy-Cd from the hard tick Ixodes ricinus
分子名称: Putative two thyropin protein (Fragment)
著者Srb, P, Veverka, V, Matouskova, Z, Orsaghova, K, Mares, M.
登録日2023-11-23
公開日2024-02-28
最終更新日2024-03-06
実験手法SOLUTION NMR
主引用文献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
3LK3
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BU of 3lk3 by Molmil
Crystal structure of CapZ bound to the CPI and CSI uncapping motifs from CARMIL
分子名称: F-actin-capping protein subunit alpha-1, F-actin-capping protein subunit beta isoforms 1 and 2, Leucine-rich repeat-containing protein 16A
著者Hernandez-Valladares, M, Kim, T, Kannan, B, Tung, A, Cooper, J.A, Robinson, R.C.
登録日2010-01-27
公開日2010-04-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Structural characterization of a capping protein interaction motif defines a family of actin filament regulators.
Nat.Struct.Mol.Biol., 17, 2010
8B4T
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Human cathepsin B in complex with the carbamate inhibitor 7
分子名称: (2S)-2-[[(2S)-2-[(4-chloranylphenoxy)carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid, Cathepsin B
著者Rubesova, P, Guetschow, M, Mares, M.
登録日2022-09-21
公開日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Human cathepsin B in complex with the carbamate inhibitor 7
To Be Published
8B5F
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Human cathepsin B in complex with the carbamate inhibitor 31
分子名称: (2S)-2-[[(2S)-2-[[3-chloranyl-4-[[3-phenyl-2-(phenylmethyl)propanoyl]amino]phenoxy]carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid, 1,2-ETHANEDIOL, Cathepsin B
著者Rubesova, P, Guetschow, M, Mares, M.
登録日2022-09-22
公開日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Human cathepsin B in complex with the carbamate inhibitor 31
To Be Published
4I05
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BU of 4i05 by Molmil
Structure of intermediate processing form of cathepsin B1 from Schistosoma mansoni
分子名称: Cathepsin B-like peptidase (C01 family), SODIUM ION
著者Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M.
登録日2012-11-16
公開日2014-02-05
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Activation route of the Schistosoma mansoni cathepsin B1 drug target: structural map with a glycosaminoglycan switch
Structure, 22, 2014
4I04
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BU of 4i04 by Molmil
Structure of zymogen of cathepsin B1 from Schistosoma mansoni
分子名称: 1,2-ETHANEDIOL, Cathepsin B-like peptidase (C01 family)
著者Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M.
登録日2012-11-16
公開日2014-02-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Activation route of the Schistosoma mansoni cathepsin B1 drug target: structural map with a glycosaminoglycan switch
Structure, 22, 2014
4I07
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BU of 4i07 by Molmil
Structure of mature form of cathepsin B1 from Schistosoma mansoni
分子名称: ACETATE ION, CHLORIDE ION, Cathepsin B-like peptidase (C01 family)
著者Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M.
登録日2012-11-16
公開日2014-02-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Activation route of the Schistosoma mansoni cathepsin B1 drug target: structural map with a glycosaminoglycan switch
Structure, 22, 2014
5DVH
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BU of 5dvh by Molmil
Structure of the Kunitz-type cysteine protease inhibitor PCPI-3 from potato
分子名称: CHLORIDE ION, PCPI-3
著者Brynda, J, Mishra, M, Mares, M.
登録日2015-09-21
公開日2016-10-12
最終更新日2017-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the Kunitz-type cysteine protease inhibitor PCPI-3 from potato
To Be Published
3QSD
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BU of 3qsd by Molmil
Structure of cathepsin B1 from Schistosoma mansoni in complex with CA074 inhibitor
分子名称: ACETATE ION, Cathepsin B-like peptidase (C01 family), DI(HYDROXYETHYL)ETHER, ...
著者Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M.
登録日2011-02-21
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural Basis for Inhibition of Cathepsin B Drug Target from the Human Blood Fluke, Schistosoma mansoni.
J.Biol.Chem., 286, 2011
3S3Q
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Structure of cathepsin B1 from Schistosoma mansoni in complex with K11017 inhibitor
分子名称: ACETATE ION, Cathepsin B-like peptidase (C01 family), N~2~-(morpholin-4-ylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-leucinamide
著者Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M.
登録日2011-05-18
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for Inhibition of Cathepsin B Drug Target from the Human Blood Fluke, Schistosoma mansoni.
J.Biol.Chem., 286, 2011
3S3R
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BU of 3s3r by Molmil
Structure of cathepsin B1 from Schistosoma mansoni in complex with K11777 inhibitor
分子名称: Cathepsin B-like peptidase (C01 family), Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide
著者Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M.
登録日2011-05-18
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structural Basis for Inhibition of Cathepsin B Drug Target from the Human Blood Fluke, Schistosoma mansoni.
J.Biol.Chem., 286, 2011
6TVJ
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BU of 6tvj by Molmil
Solution structure of PD-i3 peptide inhibitor of the human PD-1 extracellular domain
分子名称: PD-i3 peptide
著者Guardiola, S, Varese, M, Garcia, J, Giralt, E.
登録日2020-01-09
公開日2021-01-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Target-templated de novo design of macrocyclic d-/l-peptides: discovery of drug-like inhibitors of PD-1.
Chem Sci, 12, 2021
8CD9
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BU of 8cd9 by Molmil
Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 6
分子名称: 1,2-ETHANEDIOL, Cathepsin B-like peptidase (C01 family), SODIUM ION, ...
著者Rubesova, P, Brynda, J, Fanfrlik, J, Gerwick, W.H, Mares, M.
登録日2023-01-30
公開日2024-02-21
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 6
To Be Published
8CCU
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Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 1
分子名称: 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
著者Rubesova, P, Brynda, J, Gerwick, W.H, Mares, M.
登録日2023-01-27
公開日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 1
To Be Published
8CC2
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BU of 8cc2 by Molmil
Cathepsin B1 from Schistosoma mansoni in complex with gallinamide A
分子名称: Cathepsin B-like peptidase (C01 family), SODIUM ION, gallinamide A, ...
著者Rubesova, P, Brynda, J, Mares, M, Gerwick, W.H.
登録日2023-01-26
公開日2024-02-07
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Cathepsin B1 from Schistosoma mansoni in complex with gallinamide A
To Be Published
3NDA
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BU of 3nda by Molmil
Crystal structure of serpin from tick Ixodes ricinus
分子名称: PENTAETHYLENE GLYCOL, Serpin-2
著者Rezacova, P, Kovarova, Z, Chmelar, J, Mares, M.
登録日2010-06-07
公開日2010-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A tick salivary protein targets cathepsin G and chymase and inhibits host inflammation and platelet aggregation.
Blood, 117, 2011
6TT6
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BU of 6tt6 by Molmil
Solution structure of PD-i6 peptide inhibitor of the human PD-1 extracellular domain
分子名称: PD-i6 peptide
著者Guardiola, S, Varese, M, Garcia, J, Giralt, E.
登録日2019-12-23
公開日2021-01-13
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Solution structure of PD-i6 peptide targeting the human PD-1 extracellular domain
To Be Published
5O46
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BU of 5o46 by Molmil
Crystal structure of Iristatin, a secreted salivary cystatin from the hard tick Ixodes ricinus
分子名称: GLYCEROL, Iristatin
著者Busa, M, Rezacova, P, Kotal, J, Kotsyfakis, M, Mares, M.
登録日2017-05-26
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献The structure and function of Iristatin, a novel immunosuppressive tick salivary cystatin.
Cell.Mol.Life Sci., 76, 2019
5OGR
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BU of 5ogr by Molmil
Structure of cathepsin B1 from Schistosoma mansoni in complex with WRR286 inhibitor
分子名称: 3-[[N-[4-METHYL-PIPERAZINYL]CARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID BENZYLOXY-AMIDE, ACETATE ION, Cathepsin B-like peptidase (C01 family)
著者Jilkova, A, Rezacova, P, Brynda, J, Mares, M.
登録日2017-07-13
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献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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