3H6Q
| Macrocypin, a beta-trefoil cysteine protease inhibitor | Descriptor: | Macrocypin 1a | Authors: | Renko, M, Sabotic, J, Brzin, J, Turk, D. | Deposit date: | 2009-04-23 | Release date: | 2009-10-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.643 Å) | Cite: | Versatile loops in mycocypins inhibit three protease families. J.Biol.Chem., 285, 2010
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6SCJ
| The structure of human thyroglobulin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Thyroglobulin, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Coscia, F, Turk, D, Lowe, J. | Deposit date: | 2019-07-24 | Release date: | 2020-02-12 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | The structure of human thyroglobulin. Nature, 578, 2020
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6SXH
| Crystal structure of the accessory translocation ATPase, SecA2, from Clostridium difficile | Descriptor: | Protein translocase subunit SecA 2 | Authors: | Lindic, N, Loboda, J, Usenik, A, Turk, D. | Deposit date: | 2019-09-26 | Release date: | 2020-10-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the accessory translocation ATPase, SecA2, from Clostridium difficile To Be Published
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6T4H
| Crystal structure of the accessory translocation ATPase, SecA2, from Clostridium difficile, in complex with adenosine-5'-(gamma-thio)-triphosphate | Descriptor: | PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Protein translocase subunit SecA 2 | Authors: | Lindic, N, Loboda, J, Usenik, A, Turk, D. | Deposit date: | 2019-10-14 | Release date: | 2020-11-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The Structure of Clostridioides difficile SecA2 ATPase Exposes Regions Responsible for Differential Target Recognition of the SecA1 and SecA2-Dependent Systems. Int J Mol Sci, 21, 2020
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3KFQ
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3KSE
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7QGW
| Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Calpeptin, ... | 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: | 2021-12-10 | Release date: | 2022-12-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7QKA
| Crystal structure of SARS-CoV-2 Main Protease in complex with covalently bound GC376 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | 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: | 2021-12-17 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7QKB
| Crystal structure of human Cathepsin L in complex with covalently bound GC376 | Descriptor: | CHLORIDE ION, 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: | 2021-12-17 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7QKD
| Crystal structure of human Cathepsin L in complex with covalently bound MG132 | Descriptor: | ACETATE ION, 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: | 2021-12-17 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections To Be Published
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7QKC
| Crystal structure of human Cathepsin L after incubation with Sulfo-Calpeptin | Descriptor: | Calpeptin, 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: | 2021-12-17 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7PXZ
| Reduced form of SARS-CoV-2 Main Protease determined by XFEL radiation | Descriptor: | 3C-like proteinase, CHLORIDE ION | Authors: | Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J. | Deposit date: | 2021-10-08 | Release date: | 2023-01-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Reduced form of SARS-CoV-2 Main Protease determined by XFEL radiation To Be Published
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7PZQ
| Oxidized form of SARS-CoV-2 Main Protease determined by XFEL radiation | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J. | Deposit date: | 2021-10-13 | Release date: | 2023-01-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Oxidized form of SARS-CoV-2 Main Protease determined by XFEL radiation To Be Published
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4N6V
| Partial rotational order disorder structure of human stefin B | Descriptor: | Cystatin-B, SULFATE ION | Authors: | Renko, M, Taler-Vercic, A, Mihelic, M, Zerovnik, E, Turk, D. | Deposit date: | 2013-10-14 | Release date: | 2014-04-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Partial rotational lattice order-disorder in stefin B crystals. Acta Crystallogr.,Sect.D, 70, 2014
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4PI9
| Crystal structure of S. Aureus Autolysin E in complex with muropeptide NAM-L-ALA-D-iGLU | Descriptor: | (4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid, Autolysin E, CHLORIDE ION, ... | Authors: | Mihelic, M, Renko, M, Turk, D. | Deposit date: | 2014-05-08 | Release date: | 2015-10-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | The mechanism behind the selection of two different cleavage sites in NAG-NAM polymers. IUCrJ, 4, 2017
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4PI7
| Crystal structure of S. Aureus Autolysin E in complex with disaccharide NAM-NAG | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid, Autolysin E, CHLORIDE ION, ... | Authors: | Mihelic, M, Renko, M, Jakas, A, Turk, D. | Deposit date: | 2014-05-08 | Release date: | 2015-10-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The mechanism behind the selection of two different cleavage sites in NAG-NAM polymers Iucrj, 4, 2017
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4PIA
| Crystal structure of S. Aureus Autolysin E | Descriptor: | Autolysin E, CHLORIDE ION | Authors: | Mihelic, M, Renko, M, Dobersek, A, Bedrac, L, Turk, D. | Deposit date: | 2014-05-08 | Release date: | 2015-10-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.466 Å) | Cite: | The mechanism behind the selection of two different cleavage sites in NAG-NAM polymers Iucrj, 4, 2017
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4PI8
| Crystal structure of catalytic mutant E138A of S. Aureus Autolysin E in complex with disaccharide NAG-NAM | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid, Autolysin E, CHLORIDE ION, ... | Authors: | Mihelic, M, Renko, M, Jakas, A, Turk, D. | Deposit date: | 2014-05-08 | Release date: | 2015-10-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | The mechanism behind the selection of two different cleavage sites in NAG-NAM polymers Iucrj, 4, 2017
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1F0C
| STRUCTURE OF THE VIRAL SERPIN CRMA | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ICE INHIBITOR | Authors: | Renatus, M, Zhou, Q, Stennicke, H.R, Snipas, S.J, Turk, D, Bankston, L.A, Liddington, R.C, Salvesen, G.S. | Deposit date: | 2000-05-15 | Release date: | 2000-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystal structure of the apoptotic suppressor CrmA in its cleaved form. Structure Fold.Des., 8, 2000
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7ZNX
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1NB5
| Crystal structure of stefin A in complex with cathepsin H | Descriptor: | Cathepsin H, Cathepsin H MINI CHAIN, STEFIN A, ... | Authors: | Jenko, S, Dolenc, I, Guncar, G, Dobersek, A, Podobnik, M, Turk, D. | Deposit date: | 2002-12-02 | Release date: | 2003-02-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of stefin A in complex with cathepsin H: N-terminal residues of inhibitors can adapt to the active sites of endo- and exopeptidases J.Mol.Biol., 326, 2003
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1NB3
| Crystal structure of stefin A in complex with cathepsin H: N-terminal residues of inhibitors can adapt to the active sites of endo-and exopeptidases | Descriptor: | CATHEPSIN H MINI CHAIN, Cathepsin H, Stefin A, ... | Authors: | Jenko, S, Dolenc, I, Guncar, G, Dobersek, A, Podobnik, M, Turk, D. | Deposit date: | 2002-12-02 | Release date: | 2003-02-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of stefin A in complex with cathepsin H: N-terminal residues of inhibitors can adapt to the active sites of endo- and exopeptidases J.Mol.Biol., 326, 2003
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1NBA
| CRYSTAL STRUCTURE ANALYSIS, REFINEMENT AND ENZYMATIC REACTION MECHANISM OF N-CARBAMOYLSARCOSINE AMIDOHYDROLASE FROM ARTHROBACTER SP. AT 2.0 ANGSTROMS RESOLUTION | Descriptor: | N-CARBAMOYLSARCOSINE AMIDOHYDROLASE, SULFATE ION | Authors: | Romao, M.J, Turk, D, Gomis-Ruth, F.-Z, Huber, R, Schumacher, G, Mollering, H, Russmann, L. | Deposit date: | 1992-05-18 | Release date: | 1994-06-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure analysis, refinement and enzymatic reaction mechanism of N-carbamoylsarcosine amidohydrolase from Arthrobacter sp. at 2.0 A resolution. J.Mol.Biol., 226, 1992
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1RVV
| SYNTHASE/RIBOFLAVIN SYNTHASE COMPLEX OF BACILLUS SUBTILIS | Descriptor: | 5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, PHOSPHATE ION, RIBOFLAVIN SYNTHASE | Authors: | Ritsert, K, Huber, R, Turk, D, Ladenstein, R, Schmidt-Baese, K, Bacher, A. | Deposit date: | 1995-10-25 | Release date: | 1996-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Studies on the lumazine synthase/riboflavin synthase complex of Bacillus subtilis: crystal structure analysis of reconstituted, icosahedral beta-subunit capsids with bound substrate analogue inhibitor at 2.4 A resolution. J.Mol.Biol., 253, 1995
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1SP4
| Crystal structure of NS-134 in complex with bovine cathepsin B: a two headed epoxysuccinyl inhibitor extends along the whole active site cleft | Descriptor: | Cathepsin B, methyl N-[(2S)-4-{[(1S)-1-{[(2S)-2-carboxypyrrolidin-1-yl]carbonyl}-3-methylbutyl]amino}-2-hydroxy-4-oxobutanoyl]-L-leucylglycylglycinate | Authors: | Stern, I, Schaschke, N, Moroder, L, Turk, D. | Deposit date: | 2004-03-16 | Release date: | 2004-05-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of NS-134 in complex with bovine cathepsin B: a two-headed epoxysuccinyl inhibitor extends along the entire active-site cleft. Biochem.J., 381, 2004
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