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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:2024-01-31
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
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:2024-01-31
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
7Q8Q
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Peptide RLSAKP in complex with human cathepsin V C25S mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-11-11
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7Q8N
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BU of 7q8n by Molmil
Peptide KKYDAFLA in complex with human cathepsin V C25A mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-11-11
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7Q9H
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BU of 7q9h by Molmil
Peptide LLKAVAEKQ in complex with human cathepsin V C25A mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-11-12
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7Q8K
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BU of 7q8k by Molmil
Peptide LLKVAL in complex with human cathepsin V C25S mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-11-11
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7Q8P
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BU of 7q8p by Molmil
Peptide LLKVAL in complex with human cathepsin V C25S mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-11-11
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7Q8L
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BU of 7q8l by Molmil
Peptide VPCGTAHE in complex with human cathepsin V C25A mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-11-11
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7Q8O
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BU of 7q8o by Molmil
Peptide LLSGKE in complex with human cathepsin V C25S mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-11-11
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7Q8I
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BU of 7q8i by Molmil
Peptide AVAEKQ in complex with human cathepsin V C25S mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, AVAEKQ peptide, CHLORIDE ION, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-11-11
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7Q8J
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BU of 7q8j by Molmil
Peptide IILKEK in complex with human cathepsin V C25S mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Cathepsin L2, EYS Peptide, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-11-11
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7Q8G
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BU of 7q8g by Molmil
Peptide ALAASS in complex with human cathepsin V C25S mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ALAASS Peptide, CHLORIDE ION, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-11-11
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7Q8D
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BU of 7q8d by Molmil
Peptide TRESEDLE in complex with human cathepsin V C25A mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ASP-LEU-GLU(AMI), CHLORIDE ION, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-11-11
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7Q8H
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BU of 7q8h by Molmil
Peptide EVCKKKK in complex with human cathepsin V C25A mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-11-11
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7Q8F
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BU of 7q8f by Molmil
Peptide GNYKEAKK in complex with human cathepsin V C25A mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-11-11
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7Q8M
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BU of 7q8m by Molmil
Peptide KPKKKTK in complex with human cathepsin V C25A mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Cathepsin L2, GLYCEROL, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-11-11
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7QFF
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BU of 7qff by Molmil
Peptide VACKSSQP in complex with human cathepsin V C25A mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACE-VAL-ALA-CYS-LYS, CHLORIDE ION, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-12-06
Release date:2022-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7QFH
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BU of 7qfh by Molmil
Peptide AYFKKVL in complex with human cathepsin V C25A mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, AMINO GROUP, CHLORIDE ION, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-12-06
Release date:2022-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7QHJ
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BU of 7qhj by Molmil
Peptide GAKSAA in complex with human cathepsin V C25A mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-12-13
Release date:2022-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7QGW
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BU of 7qgw by Molmil
Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Calpeptin, ...
Authors:Loboda, J, Karnicar, K, Lindic, N, Usenik, A, Lieske, J, Meents, A, Guenther, S, Reinke, P.Y.A, Falke, S, Ewert, W, Turk, D.
Deposit date:2021-12-10
Release date:2022-12-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
7QKB
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BU of 7qkb by Molmil
Crystal structure of human Cathepsin L in complex with covalently bound GC376
Descriptor: CHLORIDE ION, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
Authors:Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
Deposit date:2021-12-17
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
7QKD
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BU of 7qkd by Molmil
Crystal structure of human Cathepsin L in complex with covalently bound MG132
Descriptor: ACETATE ION, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
Authors:Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
Deposit date:2021-12-17
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections
To Be Published
7QHK
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BU of 7qhk by Molmil
Peptide QLRQQE in complex with human cathepsin V C25A mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-12-13
Release date:2022-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7QKC
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BU of 7qkc by Molmil
Crystal structure of human Cathepsin L after incubation with Sulfo-Calpeptin
Descriptor: Calpeptin, Cathepsin L, DI(HYDROXYETHYL)ETHER
Authors:Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
Deposit date:2021-12-17
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
7QNS
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BU of 7qns by Molmil
Peptide VYEKKP in complex with human cathepsin V C25S mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-12-22
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Peptide VYEKKP in complex with human cathepsin V C25S mutant
To Be Published

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