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8CD9
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BU of 8cd9 by Molmil
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
8UAC
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BU of 8uac by Molmil
CATHEPSIN L IN COMPLEX WITH AC1115
Descriptor: Cathepsin L, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
Authors:Chao, A, DuPrez, K.T, Han, F.Q.
Deposit date:2023-09-20
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:CATHEPSIN L IN COMPLEX WITH AC1115
To be Published
8CC2
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BU of 8cc2 by Molmil
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
8CCU
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BU of 8ccu by Molmil
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
8HET
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BU of 8het by Molmil
Crystal structure of CTSL in complex with E64d
Descriptor: Procathepsin L, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
Authors:Wang, H, Shao, M, Sun, L, Yang, H.
Deposit date:2022-11-08
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of CTSB in complex with K777
To Be Published
8HE9
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BU of 8he9 by Molmil
Crystal structure of CTSB in complex with K777
Descriptor: Cathepsin B, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Wang, H, Li, D, Sun, L, Yang, H.
Deposit date:2022-11-07
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of CTSB in complex with K777
To Be Published
8HEI
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BU of 8hei by Molmil
Crystal structure of CTSB in complex with E64d
Descriptor: Cathepsin B, GLYCEROL, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
Authors:Wang, H, Li, D, Sun, L, Yang, H.
Deposit date:2022-11-08
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of CTSB in complex with E64d
To Be Published
8HFV
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BU of 8hfv by Molmil
Crystal structure of CTSL in complex with K777
Descriptor: CACODYLATE ION, Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide, Procathepsin L, ...
Authors:Wang, H, Shao, M, Sun, L, Yang, H.
Deposit date:2022-11-12
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of CTSL in complex with K777
To Be Published
8HEN
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BU of 8hen by Molmil
Crystal structure of CTSB in complex with 212-148
Descriptor: 2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate, Cathepsin B, DIMETHYL SULFOXIDE, ...
Authors:Wang, H, Li, D, Sun, L, Yang, H.
Deposit date:2022-11-08
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of CTSB in complex with 212-148
To Be Published
7ZVF
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BU of 7zvf by Molmil
Crystal structure of human cathepsin L in complex with covalently bound CLIK148
Descriptor: (2S)-N-[(2S)-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-N'-(2-pyridin-2-ylethyl)butanediamide, 1,2-ETHANEDIOL, Cathepsin L, ...
Authors:Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Tsuge, H, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
Deposit date:2022-05-15
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural elucidation of antiviral cathepsin L inhibitors
To be published
8OFA
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BU of 8ofa by Molmil
Crystal structure of human cathepsin L interacting with tosyl phenylalanyl chloromethyl ketone (TPCK)
Descriptor: 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide, ...
Authors:Falke, S, Lieske, J, Guenther, S, Ewert, W, Reinke, P.Y.A, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
Deposit date:2023-03-14
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human cathepsin L interacting with tosyl phenylalanyl chloromethyl ketone (TPCK)
To Be Published
8B5F
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BU of 8b5f by Molmil
Human cathepsin B in complex with the carbamate inhibitor 31
Descriptor: (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
Authors:Rubesova, P, Guetschow, M, Mares, M.
Deposit date:2022-09-22
Release date:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Human cathepsin B in complex with the carbamate inhibitor 31
To Be Published
8B4T
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BU of 8b4t by Molmil
Human cathepsin B in complex with the carbamate inhibitor 7
Descriptor: (2S)-2-[[(2S)-2-[(4-chloranylphenoxy)carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid, Cathepsin B
Authors:Rubesova, P, Guetschow, M, Mares, M.
Deposit date:2022-09-21
Release date:2023-10-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Human cathepsin B in complex with the carbamate inhibitor 7
To Be Published
8B4F
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BU of 8b4f by Molmil
Crystal structure of human cathepsin L forming a thiohemiacetal with N-Boc-2-aminoacetaldehyde
Descriptor: 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
Authors:Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
Deposit date:2022-09-20
Release date:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human cathepsin L forming a thiohemiacetal with N-Boc-2-aminoacetaldehyde
To be published
8C3D
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BU of 8c3d by Molmil
Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections
Descriptor: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, CALCIUM ION, Cathepsin K
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:2022-12-23
Release date:2023-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
8QKB
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BU of 8qkb by Molmil
Crystal structure of human cathepsin L in complex with the vinyl sulfone inhibitor K777
Descriptor: 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
Authors:Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
Deposit date:2023-09-14
Release date:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of human cathepsin L in complex with the vinyl sulfone inhibitor K777
To Be Published
8GX2
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BU of 8gx2 by Molmil
The crystal structure of human CtsL in complex with 14c
Descriptor: DIMETHYL SULFOXIDE, N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide, Procathepsin L
Authors:Zhao, Y, Shao, M, Zhao, J, Yang, H, Rao, Z.
Deposit date:2022-09-18
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of human CtsL in complex with 14a
To Be Published
8GT7
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BU of 8gt7 by Molmil
Structure of falcipain and human Stefin A mutant complex
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Cystatin-A, ...
Authors:Chakraborty, S, Biswas, S.
Deposit date:2022-09-07
Release date:2023-09-13
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:Structure of falcipain and human Stefin A complex
To Be Published
8GT0
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BU of 8gt0 by Molmil
Structure of falcipain and human Stefin A complex
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, ...
Authors:Chakraborty, S, Biswas, S.
Deposit date:2022-09-07
Release date:2023-09-13
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:Structure of falcipain and human Stefin A complex
To Be Published
8PRX
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BU of 8prx by Molmil
Crystal structure of human cathepsin L after reaction with the bound ketoamide inhibitor 13b
Descriptor: 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
Authors:Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
Deposit date:2023-07-12
Release date:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human cathepsin L after reaction with the bound ketoamide inhibitor 13b
To Be Published
8AHV
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BU of 8ahv by Molmil
Crystal structure of human cathepsin L in complex with calpain inhibitor XII
Descriptor: (phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S},3~{S})-2-oxidanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)hexan-3-yl]amino]pentan-2-yl]carbamate, 1,2-ETHANEDIOL, Cathepsin L, ...
Authors:Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
Deposit date:2022-07-22
Release date:2023-08-02
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human cathepsin L in complex with calpain inhibitor XII
To be published
8A4V
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BU of 8a4v by Molmil
Crystal structure of human cathepsin L with covalently bound E-64
Descriptor: Cathepsin L, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
Deposit date:2022-06-13
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural elucidation of antiviral cathepsin L inhibitors
To Be Published
8A4X
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BU of 8a4x by Molmil
Crystal structure of human Cathepsin L with covalently bound Calpain inhibitor III
Descriptor: (phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
Authors:Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
Deposit date:2022-06-13
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural elucidation of antiviral cathepsin L inhibitors
To Be Published
8A5B
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BU of 8a5b by Molmil
Crystal structure of human cathepsin L in complex with covalently bound MG-101
Descriptor: Calpain Inhibitor I, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
Authors:Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
Deposit date:2022-06-14
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural elucidation of antiviral cathepsin L inhibitors
To be published
8A4U
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BU of 8a4u by Molmil
Crystal structure of human cathepsin L with CAA0225
Descriptor: (2S,3S)-N3-[2-(4-hydroxyphenyl)ethyl]-N2-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]oxirane-2,3-dicarboxamide, 1,2-ETHANEDIOL, Cathepsin L, ...
Authors:Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
Deposit date:2022-06-13
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural elucidation of antiviral cathepsin L inhibitors
To Be Published

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