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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
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
1CPJ
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BU of 1cpj by Molmil
CRYSTAL STRUCTURES OF RECOMBINANT RAT CATHEPSIN B AND A CATHEPSIN B-INHIBITOR COMPLEX: IMPLICATIONS FOR STRUCTURE-BASED INHIBITOR DESIGN
Descriptor: CATHEPSIN B
Authors:Huber, C.P, Jia, Z.
Deposit date:1995-07-17
Release date:1995-12-07
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of recombinant rat cathepsin B and a cathepsin B-inhibitor complex. Implications for structure-based inhibitor design.
J.Biol.Chem., 270, 1995
1CTE
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BU of 1cte by Molmil
CRYSTAL STRUCTURES OF RECOMBINANT RAT CATHEPSIN B AND A CATHEPSIN B-INHIBITOR COMPLEX: IMPLICATIONS FOR STRUCTURE-BASED INHIBITOR DESIGN
Descriptor: 2-PYRIDINETHIOL, CATHEPSIN B
Authors:Huber, C.P, Jia, Z.
Deposit date:1995-05-03
Release date:1995-07-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of recombinant rat cathepsin B and a cathepsin B-inhibitor complex. Implications for structure-based inhibitor design.
J.Biol.Chem., 270, 1995
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
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
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
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
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
7Q8Q
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BU of 7q8q by Molmil
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
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
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
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
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
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
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
1AYU
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BU of 1ayu by Molmil
CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT SYMMETRIC BISCARBOHYDRAZIDE INHIBITOR
Descriptor: 1,5-BIS(N-BENZYLOXYCARBONYL-L-LEUCINYL)CARBOHYDRAZIDE, CATHEPSIN K
Authors:Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
Deposit date:1997-11-10
Release date:1998-11-25
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design of potent and selective human cathepsin K inhibitors that span the active site.
Proc.Natl.Acad.Sci.USA, 94, 1997
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
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
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
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
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

221051

数据于2024-06-12公开中

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