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6I1M
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BU of 6i1m by Molmil
Secreted type 1 cystatin from Fasciola hepatica
Descriptor: Cystatin, IODIDE ION
Authors:Busa, M, Rezacova, P, Pachl, P, Stefanic, S, Mares, M.
Deposit date:2018-10-29
Release date:2020-08-26
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:An evolutionary molecular adaptation of an unusual stefin from the liver fluke Fasciola hepatica redefines the cystatin superfamily.
J.Biol.Chem., 299, 2023
8R28
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BU of 8r28 by Molmil
Crystal structure of Amacstatin-1, a cystatin from the hard tick Amblyomma maculatum
Descriptor: Cystatin domain-containing protein, SULFATE ION
Authors:Busa, M, Mares, M.
Deposit date:2023-11-03
Release date:2024-11-13
Method:X-RAY DIFFRACTION (1.807 Å)
Cite:Crystal structure of Amacstatin-1, a cystatin from the hard tick Amblyomma maculatum
To Be Published
8R29
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BU of 8r29 by Molmil
Crystal structure of domain swapped dimer of Amacstatin-2, a cystatin from the hard tick Amblyomma maculatum
Descriptor: Cystatin domain-containing protein
Authors:Busa, M, Mares, M.
Deposit date:2023-11-03
Release date:2024-11-13
Method:X-RAY DIFFRACTION (2.146 Å)
Cite:Crystal structure of domain swapped dimer of Amacstatin-2, a cystatin from the hard tick amblyomma maculatum
To Be Published
6ZTK
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BU of 6ztk by Molmil
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:2024-10-23
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
5O46
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BU of 5o46 by Molmil
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:2024-11-13
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
7NXM
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BU of 7nxm by Molmil
Structure of human cathepsin K in complex with the selective activity-based probe Gu3416
Descriptor: Cathepsin K, N-(4-(dibenzylamino)-4-oxobutyl)-2-(5-(dimethylamino)pentanamido)-4-methylpentanamide, SULFATE ION
Authors:Busa, M, Benysek, J, Lemke, C, Gutschow, M, Mares, M.
Deposit date:2021-03-18
Release date:2021-09-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:An Activity-Based Probe for Cathepsin K Imaging with Excellent Potency and Selectivity.
J.Med.Chem., 64, 2021
7NXL
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BU of 7nxl by Molmil
Structure of human cathepsin K in complex with the acrylamide inhibitor Gu3110
Descriptor: Cathepsin K, SULFATE ION, tert-butyl (1-((4-(dibenzylamino)-4-oxobutyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
Authors:Busa, M, Benysek, J, Lemke, C, Gutschow, M, Mares, M.
Deposit date:2021-03-18
Release date:2021-09-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An Activity-Based Probe for Cathepsin K Imaging with Excellent Potency and Selectivity.
J.Med.Chem., 64, 2021
7PK4
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BU of 7pk4 by Molmil
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:2024-10-16
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
7QBN
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BU of 7qbn by Molmil
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:2024-10-16
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
7QBM
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BU of 7qbm by Molmil
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:2024-11-13
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
7QBL
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BU of 7qbl by Molmil
Structure of cathepsin K in complex with the 3-cyano-3-aza-beta-amino acid inhibitor Gu2602
Descriptor: Cathepsin K, ~{tert}-butyl ~{N}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate
Authors:Benysek, J, Busa, M, Mares, M.
Deposit date:2021-11-19
Release date:2022-01-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 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
7QBO
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BU of 7qbo by Molmil
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:2024-10-23
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
8R6T
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BU of 8r6t by Molmil
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:2024-10-09
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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PDB entries from 2024-12-18

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