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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
4E7R
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BU of 4e7r by Molmil
Thrombin in complex with 3-amidinophenylalanine inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-{[(2',4'-dichlorobiphenyl-3-yl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide, GLYCEROL, ...
Authors:Ruehmann, E, Heine, A, Klebe, G.
Deposit date:2012-03-19
Release date:2012-06-20
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:New 3-amidinophenylalanine-derived inhibitors of matriptase
MEDCHEMCOMM, 3, 2012
6YI7
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BU of 6yi7 by Molmil
Structure of cathepsin B1 from Schistosoma mansoni (SmCB1) in complex with an azanitrile inhibitor
Descriptor: 1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea, ACETATE ION, Cathepsin B-like peptidase (C01 family)
Authors:Jilkova, A, Rezacova, P, Pachl, P, Fanfrlik, J, Rubesova, P, Guetschow, M, Mares, M.
Deposit date:2020-04-01
Release date:2020-12-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Azanitrile Inhibitors of the SmCB1 Protease Target Are Lethal to Schistosoma mansoni : Structural and Mechanistic Insights into Chemotype Reactivity.
Acs Infect Dis., 7, 2021
6F5M
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BU of 6f5m by Molmil
Crystal structure of highly glycosylated human leukocyte elastase in complex with a thiazolidinedione inhibitor
Descriptor: 5-[[4-[[(2~{S})-4-methyl-1-oxidanylidene-1-[(2-propylphenyl)amino]pentan-2-yl]carbamoyl]phenyl]methyl]-2-oxidanylidene-1,3-thiazol-1-ium-4-olate, ACETATE ION, Neutrophil elastase, ...
Authors:Hochscherf, J, Pietsch, M, Tieu, W, Kuan, K, Hautmann, S, Abell, A, Guetschow, M, Niefind, K.
Deposit date:2017-12-01
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of highly glycosylated human leukocyte elastase in complex with an S2' site binding inhibitor.
Acta Crystallogr F Struct Biol Commun, 74, 2018

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