5QBU
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN-S WITH BOUND LIGAND
Descriptor:Cathepsin S, 1-[1-(3-{5-(1H-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl)piperidin-4-yl]-3-methyl-1,3-dihydro-2H-benzimidazol-2-one
Authors:Bembenek, S.D., Ameriks, M.K., Mirzadegan, T., Yang, H., Shao, C., Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
5QBV
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN-S WITH BOUND LIGAND
Descriptor:Cathepsin S, N-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyridazin-3-yl)benzyl]benzamide
Authors:Bembenek, S.D., Ameriks, M.K., Mirzadegan, T., Yang, H., Shao, C., Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Diazinones as P2 replacements for pyrazole-based cathepsin S inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
5QBW
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN-S WITH BOUND LIGAND
Descriptor:Cathepsin S, N-{[2-chloro-5-(2-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-2,3-dihydropyridazin-4-yl)phenyl]methyl}-4-fluorobenzamide
Authors:Bembenek, S.D., Ameriks, M.K., Mirzadegan, T., Yang, H., Shao, C., Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
5QBX
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN-S WITH BOUND LIGAND
Descriptor:Cathepsin S, (2S)-1-[4-(2-methoxyphenyl)piperidin-1-yl]-3-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol
Authors:Bembenek, S.D., Ameriks, M.K., Mirzadegan, T., Yang, H., Shao, C., Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
5QBY
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN-S WITH BOUND LIGAND
Descriptor:Cathepsin S, N-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyrimidin-5-yl)benzyl]-4-fluorobenzamide
Authors:Bembenek, S.D., Ameriks, M.K., Mirzadegan, T., Yang, H., Shao, C., Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Diazinones as P2 replacements for pyrazole-based cathepsin S inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
5QBZ
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN-S WITH BOUND LIGAND
Descriptor:Cathepsin S, N-{[2-chloro-5-(4-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-3,4-dihydropyrazin-2-yl)phenyl]methyl}-4-fluorobenzamide
Authors:Bembenek, S.D., Ameriks, M.K., Mirzadegan, T., Yang, H., Shao, C., Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
5QC0
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN-S WITH BOUND LIGAND
Descriptor:Cathepsin S, 2-(dimethylamino)-1-[4-(2-oxo-2-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethyl)piperidin-1-yl]ethan-1-one
Authors:Bembenek, S.D., Ameriks, M.K., Mirzadegan, T., Yang, H., Shao, C., Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
5QC1
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN-S WITH BOUND LIGAND
Descriptor:Cathepsin S, (2S)-1-(4,4-dimethylpiperidin-1-yl)-3-{3-[3-({[(4-fluorophenyl)methyl]amino}methyl)-4-(trifluoromethyl)phenyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol
Authors:Bembenek, S.D., Ameriks, M.K., Mirzadegan, T., Yang, H., Shao, C., Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.082 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
5QC2
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN-S WITH BOUND LIGAND
Descriptor:Cathepsin S, 2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-(3-hydroxypropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
Authors:Bembenek, S.D., Ameriks, M.K., Mirzadegan, T., Yang, H., Shao, C., Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
5QC3
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN-S WITH BOUND LIGAND
Descriptor:Cathepsin S, 1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-[(2S)-2-hydroxy-3-(piperidin-1-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-hydroxyethan-1-one
Authors:Bembenek, S.D., Ameriks, M.K., Mirzadegan, T., Yang, H., Shao, C., Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
5QC4
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN-S WITH BOUND LIGAND
Descriptor:Cathepsin S, 2-[5-[5-ethanoyl-1-[(2~{R})-2-oxidanyl-3-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]propyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone
Authors:Bembenek, S.D., Ameriks, M.K., Mirzadegan, T., Yang, H., Shao, C., Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Thioether acetamides as P3 binding elements for tetrahydropyrido-pyrazole cathepsin S inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
5QC5
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN-S WITH BOUND LIGAND
Descriptor:Cathepsin S, 1-[5-{1-[3-(4-tert-butylpiperidin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]-N-[(4-fluorophenyl)methyl]methanamine
Authors:Bembenek, S.D., Ameriks, M.K., Mirzadegan, T., Yang, H., Shao, C., Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
5QC6
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN-S WITH BOUND LIGAND
Descriptor:Cathepsin S, (4~{S})-1-[1-[(2~{S})-3-[3-[3-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]-2-oxidanyl-propyl]piperidin-4-yl]-4-oxidanyl-pyrrolidin-2-one
Authors:Bembenek, S.D., Ameriks, M.K., Mirzadegan, T., Yang, H., Shao, C., Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
5QC7
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN-S WITH BOUND LIGAND
Descriptor:Cathepsin S, 2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, ETHANOL, ...
Authors:Bembenek, S.D., Ameriks, M.K., Mirzadegan, T., Yang, H., Shao, C., Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
5QC8
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN-S WITH BOUND LIGAND
Descriptor:Cathepsin S, N-benzyl-1-{3-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine
Authors:Bembenek, S.D., Ameriks, M.K., Mirzadegan, T., Yang, H., Shao, C., Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
5QC9
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN-S WITH BOUND LIGAND
Descriptor:Cathepsin S, N-{[5-{1-[3-(dimethylamino)propyl]-5-[(piperidin-4-yl)acetyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]methyl}-3-methylbut-2-enamide
Authors:Bembenek, S.D., Ameriks, M.K., Mirzadegan, T., Yang, H., Shao, C., Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
5QCA
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN-S WITH BOUND LIGAND
Descriptor:Cathepsin S, 1-{4-[(2-chloro-5-{1-[3-(4-cyclopropylpiperazin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}-N-[(4-chlorophenyl)methyl]methanamine, SULFATE ION
Authors:Bembenek, S.D., Ameriks, M.K., Mirzadegan, T., Yang, H., Shao, C., Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
5QCB
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN-S WITH BOUND LIGAND
Descriptor:Cathepsin S, tert-butyl 4-(2-{3-[3-{[(3-methylbut-2-enoyl)amino]methyl}-4-(trifluoromethyl)phenyl]-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate
Authors:Bembenek, S.D., Ameriks, M.K., Mirzadegan, T., Yang, H., Shao, C., Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
5QCC
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN-S WITH BOUND LIGAND
Descriptor:Cathepsin S, tert-butyl 4-(2-{3-(4-chloro-3-iodophenyl)-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate
Authors:Bembenek, S.D., Ameriks, M.K., Mirzadegan, T., Yang, H., Shao, C., Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
5QCD
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN-S WITH BOUND LIGAND
Descriptor:Cathepsin S, {(3S)-7-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}(piperidin-1-yl)methanone, SULFATE ION
Authors:Bembenek, S.D., Ameriks, M.K., Mirzadegan, T., Yang, H., Shao, C., Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
5QCE
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN-S WITH BOUND LIGAND
Descriptor:Cathepsin S, N-benzyl-1-{2-chloro-5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine
Authors:Bembenek, S.D., Ameriks, M.K., Mirzadegan, T., Yang, H., Shao, C., Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
5QCF
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN-S WITH BOUND LIGAND
Descriptor:Cathepsin S, N-benzyl-1-{2-chloro-5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine, SULFATE ION, ...
Authors:Bembenek, S.D., Ameriks, M.K., Mirzadegan, T., Yang, H., Shao, C., Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
5QCG
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN-S WITH BOUND LIGAND
Descriptor:Cathepsin S, SULFATE ION, N-benzyl-1-{2-chloro-5-[2-(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethyl]phenyl}methanamine
Authors:Bembenek, S.D., Ameriks, M.K., Mirzadegan, T., Yang, H., Shao, C., Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
5QCH
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN-S WITH BOUND LIGAND
Descriptor:Cathepsin S, SULFATE ION, 2-(3-[3-({3-[(benzylamino)methyl]-4-chlorophenyl}ethynyl)-4-chlorophenyl]-1-{3-[(3S)-3-methylmorpholin-4-yl]propyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoacetamide, ...
Authors:Bembenek, S.D., Ameriks, M.K., Mirzadegan, T., Yang, H., Shao, C., Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
5QCI
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN-S WITH BOUND LIGAND
Descriptor:Cathepsin S, SULFATE ION, GLYCEROL, ...
Authors:Bembenek, S.D., Ameriks, M.K., Mirzadegan, T., Yang, H., Shao, C., Burley, S.K.
Deposit date:2017-08-04
Release date:2017-12-20
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.179 Å)
Cite:Crystal structure of human Cathepsin-S with bound ligand
To be published
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