5QC1
| Crystal structure of human Cathepsin-S with bound ligand | Descriptor: | (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, Cathepsin S | 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: | 2021-11-17 | Method: | X-RAY DIFFRACTION (2.082 Å) | Cite: | Crystal structure of human Cathepsin-S with bound ligand To be published
|
|
5QCH
| Crystal structure of human Cathepsin-S with bound ligand | Descriptor: | 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, Cathepsin S, 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: | 2021-11-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of human Cathepsin-S with bound ligand To be published
|
|
5QC0
| Crystal structure of human Cathepsin-S with bound ligand | Descriptor: | 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, Cathepsin S | 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: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of human Cathepsin-S with bound ligand To be published
|
|
5QCG
| Crystal structure of human Cathepsin-S with bound ligand | Descriptor: | Cathepsin S, 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, 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: | 2021-11-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of human Cathepsin-S with bound ligand To be published
|
|
5QBV
| 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: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.796 Å) | Cite: | Diazinones as P2 replacements for pyrazole-based cathepsin S inhibitors Bioorg.Med.Chem.Lett., 20, 2010
|
|
5QCD
| Crystal structure of human Cathepsin-S with bound ligand | Descriptor: | Cathepsin S, SULFATE ION, {(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 | 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: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of human Cathepsin-S with bound ligand To be published
|
|
5MBM
| |
5MBL
| |
5QC9
| 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: | 2021-11-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of human Cathepsin-S with bound ligand To be published
|
|
5QC2
| Crystal structure of human Cathepsin-S with bound ligand | Descriptor: | 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, Cathepsin S | 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: | 2021-11-17 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystal structure of human Cathepsin-S with bound ligand To be published
|
|
5QCI
| Crystal structure of human Cathepsin-S with bound ligand | Descriptor: | Cathepsin S, GLYCEROL, N-benzyl-1-{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]-2-methoxyphenyl}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: | 2021-11-17 | Method: | X-RAY DIFFRACTION (2.179 Å) | Cite: | Crystal structure of human Cathepsin-S with bound ligand To be published
|
|
5QCA
| Crystal structure of human Cathepsin-S with bound ligand | Descriptor: | 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, Cathepsin S, 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: | 2021-11-17 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Crystal structure of human Cathepsin-S with bound ligand To be published
|
|
5QC7
| Crystal structure of human Cathepsin-S with bound ligand | Descriptor: | 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, Cathepsin S, DIMETHYL SULFOXIDE, ... | 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: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of human Cathepsin-S with bound ligand To be published
|
|
5QBX
| Crystal structure of human Cathepsin-S with bound ligand | Descriptor: | (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, Cathepsin S | 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: | 2021-11-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of human Cathepsin-S with bound ligand To be published
|
|
5QCE
| 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: | 2021-11-17 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Crystal structure of human Cathepsin-S with bound ligand To be published
|
|
5QCF
| Crystal structure of human Cathepsin-S with bound ligand | Descriptor: | Cathepsin S, GLYCEROL, 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: | 2021-11-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of human Cathepsin-S with bound ligand To be published
|
|
5QBY
| 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: | 2021-11-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Diazinones as P2 replacements for pyrazole-based cathepsin S inhibitors Bioorg.Med.Chem.Lett., 20, 2010
|
|
5QBU
| Crystal structure of human Cathepsin-S with bound ligand | Descriptor: | 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, Cathepsin S | 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: | 2021-11-17 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Crystal structure of human Cathepsin-S with bound ligand To be published
|
|
5QC5
| Crystal structure of human Cathepsin-S with bound ligand | Descriptor: | 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, Cathepsin S | 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: | 2021-11-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of human Cathepsin-S with bound ligand To be published
|
|
5QC4
| Crystal structure of human Cathepsin-S with bound ligand | Descriptor: | 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, Cathepsin S | 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: | 2021-11-17 | 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
|
|
6AY2
| Structure of CathB with covalently linked Compound 28 | Descriptor: | Cathepsin B, N~1~-[(2S)-1-amino-5-(carbamoylamino)pentan-2-yl]-N'~1~-[(1R)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide | Authors: | Kiefer, J.R, Steinbacher, S. | Deposit date: | 2017-09-07 | Release date: | 2017-12-27 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of Peptidomimetic Antibody-Drug Conjugate Linkers with Enhanced Protease Specificity. J. Med. Chem., 61, 2018
|
|
6EZP
| CATHEPSIN L IN COMPLEX WITH (3S,14E)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-12,17-dioxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide | Descriptor: | (3~{S},14~{E})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide, Cathepsin L1, GLYCEROL | Authors: | Banner, D.W, Benz, J, Kuglstatter, A. | Deposit date: | 2017-11-16 | Release date: | 2018-04-11 | Last modified: | 2018-05-09 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors. J. Med. Chem., 61, 2018
|
|
6EXO
| Crystal Structure of Rhodesain in complex with a Macrolactam Inhibitor | Descriptor: | (3~{S},14~{E})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide, 1,2-ETHANEDIOL, Cysteine protease | Authors: | Dietzel, U, Kisker, C. | Deposit date: | 2017-11-08 | Release date: | 2018-04-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors. J. Med. Chem., 61, 2018
|
|
6EX8
| Crystal Structure of Rhodesain in complex with a Macrolactam Inhibitor | Descriptor: | (3~{S})-~{N}-[1-(aminomethyl)cyclopropyl]-19-chloranyl-5-oxidanylidene-9-(trifluoromethyl)-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide, 1,2-ETHANEDIOL, Cysteine protease | Authors: | Dietzel, U, Kisker, C. | Deposit date: | 2017-11-07 | Release date: | 2018-04-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors. J. Med. Chem., 61, 2018
|
|
6EXQ
| Crystal Structure of Rhodesain in complex with a Macrolactam Inhibitor | Descriptor: | (3~{S})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-8-methoxy-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide, 1,2-ETHANEDIOL, Cysteine protease | Authors: | Dietzel, U, Kisker, C. | Deposit date: | 2017-11-08 | Release date: | 2018-04-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors. J. Med. Chem., 61, 2018
|
|