4W5B
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8C3D
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![BU of 8c3d by Molmil](/molmil-images/mine/8c3d) | 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
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4W5C
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![BU of 4w5c by Molmil](/molmil-images/mine/4w5c) | Crystal structure analysis of cruzain with three Fragments: 1 (N-(1H-benzimidazol-2-yl)-1,3-dimethyl-pyrazole-4-carboxamide), 6 (2-amino-4,6-difluorobenzothiazole) and 9 (N-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide). | Descriptor: | 4,6-difluoro-1,3-benzothiazol-2-amine, Cruzipain, N-(1H-benzimidazol-2-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide, ... | Authors: | Tochowicz, A, McKerrow, J.H, Craik, C.S. | Deposit date: | 2014-08-17 | Release date: | 2015-04-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.27 Å) | Cite: | Applying Fragments Based- Drug Design to identify multiple binding modes on cysteine protease. To Be Published
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5I4H
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7JUJ
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![BU of 7juj by Molmil](/molmil-images/mine/7juj) | Cruzain bound to Gallinamide inhibitor | Descriptor: | Cruzipain, POTASSIUM ION, gallinamide A, ... | Authors: | Silva, E.B, Sharma, V, Alvarez, L.H, Gerwick, W.H, McKerrow, J.H, Podust, L.M. | Deposit date: | 2020-08-19 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Intramolecular Interactions Enhance the Potency of Gallinamide A Analogues against Trypanosoma cruzi . J.Med.Chem., 65, 2022
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5A24
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![BU of 5a24 by Molmil](/molmil-images/mine/5a24) | Crystal structure of Dionain-1, the major endopeptidase in the Venus flytrap digestive juice | Descriptor: | DIONAIN-1, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, PHOSPHATE ION | Authors: | Risor, M.W, Thomsen, L.R, Sanggaard, K.W, Nielsen, T.A, Thogersen, I.B, Lukassen, M.V, Rossen, L, Garcia-Ferrer, I, Guevara, T, Meinjohanns, E, Nielsen, N.C, Gomis-Ruth, F.X, Enghild, J.J. | Deposit date: | 2015-05-12 | Release date: | 2015-12-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Enzymatic and Structural Characterization of the Major Endopeptidase in the Venus Flytrap Digestion Fluid. J.Biol.Chem., 291, 2016
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8UAC
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![BU of 8uac by Molmil](/molmil-images/mine/8uac) | 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
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8CCU
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![BU of 8ccu by Molmil](/molmil-images/mine/8ccu) | 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
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8CC2
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![BU of 8cc2 by Molmil](/molmil-images/mine/8cc2) | 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
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9PAP
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7Z58
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![BU of 7z58 by Molmil](/molmil-images/mine/7z58) | Crystal structure of human Cathepsin L in complex with covalently bound Calpeptin | Descriptor: | 1,2-ETHANEDIOL, Calpeptin, Cathepsin L, ... | 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: | 2022-03-08 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7Z3T
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![BU of 7z3t by Molmil](/molmil-images/mine/7z3t) | Crystal structure of apo human Cathepsin L | Descriptor: | 1,2-ETHANEDIOL, 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: | 2022-03-02 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7S19
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![BU of 7s19 by Molmil](/molmil-images/mine/7s19) | Crystal structure of cruzain with gallinamide analog from 2-indolyl series | Descriptor: | Cruzipain, N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[(1H-indol-3-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide | Authors: | Sharma, V, Podust, L.M. | Deposit date: | 2021-09-01 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Intramolecular Interactions Enhance the Potency of Gallinamide A Analogues against Trypanosoma cruzi . J.Med.Chem., 65, 2022
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1EWM
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7S18
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![BU of 7s18 by Molmil](/molmil-images/mine/7s18) | Crystal structure of cruzain with gallinamide analog from 2-biaryl series | Descriptor: | Cruzipain, N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[([1,1'-biphenyl]-4-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide | Authors: | Sharma, V, Podust, L.M. | Deposit date: | 2021-09-01 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Intramolecular Interactions Enhance the Potency of Gallinamide A Analogues against Trypanosoma cruzi . J.Med.Chem., 65, 2022
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1EF7
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![BU of 1ef7 by Molmil](/molmil-images/mine/1ef7) | CRYSTAL STRUCTURE OF HUMAN CATHEPSIN X | Descriptor: | CATHEPSIN X | Authors: | Guncar, G, Klemencic, I, Turk, B, Turk, V, Karaoglanovic-Carmona, A, Juliano, L, Turk, D. | Deposit date: | 2000-02-07 | Release date: | 2000-03-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Crystal structure of cathepsin X: a flip-flop of the ring of His23 allows carboxy-monopeptidase and carboxy-dipeptidase activity of the protease. Structure Fold.Des., 8, 2000
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8RND
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![BU of 8rnd by Molmil](/molmil-images/mine/8rnd) | Cathepsin S in complex with NNPI-C10 inhibitor | Descriptor: | 1,2-ETHANEDIOL, Cathepsin S, DI(HYDROXYETHYL)ETHER, ... | Authors: | Petruzzella, A, Lau, K, Pojer, F, Oricchio, E. | Deposit date: | 2024-01-09 | Release date: | 2024-06-05 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Antibody-peptide conjugates deliver covalent inhibitors blocking oncogenic cathepsins. Nat.Chem.Biol., 2024
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8QKB
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![BU of 8qkb by Molmil](/molmil-images/mine/8qkb) | 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 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
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1MEG
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4PAD
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4PI3
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1MEM
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4P6E
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![BU of 4p6e by Molmil](/molmil-images/mine/4p6e) | Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor | Descriptor: | Cathepsin S, N-[(8R)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide, SULFATE ION | Authors: | Wang, Y, Jadhav, P.K, Deng, G.G. | Deposit date: | 2014-03-24 | Release date: | 2014-10-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Cathepsin S Inhibitor LY3000328 for the Treatment of Abdominal Aortic Aneurysm. Acs Med.Chem.Lett., 5, 2014
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6UX6
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![BU of 6ux6 by Molmil](/molmil-images/mine/6ux6) | Cruzain covalently bound by a vinylsulfone compound | Descriptor: | Cruzipain, GLYCEROL, Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-phenyl-4-(phenylsulfonyl)butan-2-yl]-L-phenylalaninamide | Authors: | Zhai, X, Tang, S, Chenna, B.C, Meek, T.D, Sacchettini, J.C. | Deposit date: | 2019-11-06 | Release date: | 2020-11-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Cruzain covalently bound by a vinylsulfone compound To Be Published
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2G7Y
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![BU of 2g7y by Molmil](/molmil-images/mine/2g7y) | Human Cathepsin S with inhibitor CRA-16981 | Descriptor: | (1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-2-OXOETHYL MORPHOLINE-4-CARBOXYLATE, Cathepsin S | Authors: | Somoza, J.R. | Deposit date: | 2006-03-01 | Release date: | 2006-09-05 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Human Cathepsin S with inhibitor CRA-16981 To be Published
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