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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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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2Q9M
 | | 4-Substituted Trinems as Broad Spectrum-Lactamase Inhibitors: Structure-based Design, Synthesis and Biological Activity | | Descriptor: | (1R,4S,7AS)-1-(1-FORMYLPROP-1-EN-1-YL)-4-METHOXY-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID, Beta-lactamase | | Authors: | Plantan, I, Selic, L, Mesar, T, Stefanic Anderluh, P, Oblak, M, Prezelj, A, Hesse, L, Andrejasic, M, Vilar, M, Turk, D, Kocijan, A, Prevec, T, Vilfan, G, Kocjan, D, Copar, A, Urleb, U, Solmajer, T. | | Deposit date: | 2007-06-13 | | Release date: | 2007-08-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | 4-Substituted Trinems as Broad Spectrum beta-Lactamase Inhibitors: Structure-Based Design, Synthesis, and Biological Activity
J.Med.Chem., 50, 2007
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2Q9N
 | | 4-Substituted Trinems as Broad Spectrum-Lactamase Inhibitors: Structure-based Design, Synthesis and Biological Activity | | Descriptor: | (1S,4R,7AR)-4-BUTOXY-1-[(1R)-1-FORMYLPROPYL]-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID, Beta-lactamase | | Authors: | Plantan, I, Selic, L, Mesar, T, Stefanic Anderluh, P, Oblak, M, Prezelj, A, Hesse, L, Andrejasic, M, Vilar, M, Turk, D, Kocijan, A, Prevec, T, Vilfan, G, Kocjan, D, Copar, A, Urleb, U, Solmajer, T. | | Deposit date: | 2007-06-13 | | Release date: | 2007-08-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 4-Substituted Trinems as Broad Spectrum beta-Lactamase Inhibitors: Structure-Based Design, Synthesis, and Biological Activity
J.Med.Chem., 50, 2007
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4J2S
 | | Macrolepiota procera ricin B-like lectin (MPL) in complex with Di-LacNAc | | Descriptor: | BENZAMIDINE, Ricin B-like lectin, beta-D-galactopyranose-(1-4)-methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside | | Authors: | Renko, M, Zurga, S, Sabotic, J, Pohleven, J, Kos, J, Turk, D. | | Deposit date: | 2013-02-05 | | Release date: | 2013-11-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Macrolepiota procera ricin B-like lectin (MPL) in complex with Di-LacNAc
To be Published
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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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4IZX
 | | Macrolepiota procera ricin B-like lectin (MPL) in complex with lactose | | Descriptor: | BENZAMIDINE, Ricin B-like lectin, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Renko, M, Zurga, S, Sabotic, J, Pohleven, J, Kos, J, Turk, D. | | Deposit date: | 2013-01-30 | | Release date: | 2013-11-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Macrolepiota procera ricin B-like lectin (MPL) in complex with lactose
To be Published
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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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2OCT
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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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4IYB
 | | Macrolepiota procera ricin B-like lectin (MPL) in complex with galactose | | Descriptor: | GLYCEROL, Ricin B-like lectin, beta-D-galactopyranose | | Authors: | Renko, M, Zurga, S, Sabotic, J, Pohleven, J, Kos, J, Turk, D. | | Deposit date: | 2013-01-28 | | Release date: | 2013-11-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Macrolepiota procera ricin B-like lectin (MPL) in complex with galactose
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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7ZNX
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1PBH
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1PPH
 | | GEOMETRY OF BINDING OF THE NALPHA-TOSYLATED PIPERIDIDES OF M-AMIDINO-, P-AMIDINO-AND P-GUANIDINO PHENYLALANINE TO THROMBIN AND TRYPSIN: X-RAY CRYSTAL STRUCTURES OF THEIR TRYPSIN COMPLEXES AND MODELING OF THEIR THROMBIN COMPLEXES | | Descriptor: | 3-[(2S)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide, CALCIUM ION, SULFATE ION, ... | | Authors: | Bode, W, Turk, D. | | Deposit date: | 1991-10-24 | | Release date: | 1994-01-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Geometry of binding of the N alpha-tosylated piperidides of m-amidino-, p-amidino- and p-guanidino phenylalanine to thrombin and trypsin. X-ray crystal structures of their trypsin complexes and modeling of their thrombin complexes.
FEBS Lett., 287, 1991
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1IAZ
 | | EQUINATOXIN II | | Descriptor: | EQUINATOXIN II, SULFATE ION | | Authors: | Athanasiadis, A, Anderluh, G, Macek, P, Turk, D. | | Deposit date: | 2001-03-24 | | Release date: | 2001-04-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the soluble form of equinatoxin II, a pore-forming toxin from the sea anemone Actinia equina.
Structure, 9, 2001
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4DUH
 | | Crystal structure of 24 kDa domain of E. coli DNA gyrase B in complex with small molecule inhibitor | | Descriptor: | 4-{[4'-methyl-2'-(propanoylamino)-4,5'-bi-1,3-thiazol-2-yl]amino}benzoic acid, DNA gyrase subunit B | | Authors: | Brvar, M, Renko, M, Perdih, A, Solmajer, T, Turk, D. | | Deposit date: | 2012-02-22 | | Release date: | 2012-08-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-based discovery of substituted 4,5'-bithiazoles as novel DNA gyrase inhibitors.
J.Med.Chem., 55, 2012
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4ION
 | | Macrolepiota procera ricin B-like lectin (MPL) | | Descriptor: | GLYCEROL, Ricin B-like lectin | | Authors: | Renko, M, Zurga, S, Sabotic, J, Pohleven, J, Kos, J, Turk, D. | | Deposit date: | 2013-01-08 | | Release date: | 2013-11-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Macrolepiota procera ricin B-like lectin (MPL)
TO BE PUBLISHED
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7B83
 | | Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc | | Descriptor: | 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, CHLORIDE ION, ... | | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | Deposit date: | 2020-12-12 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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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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3DCA
 | | Crystal structure of the RPA0582- protein of unknown function from Rhodopseudomonas palustris- a structural genomics target | | Descriptor: | RPA0582, SULFATE ION | | Authors: | Sledz, P, Wang, S, Chruszcz, M, Yim, V, Kudritska, M, Evdokimova, E, Turk, D, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-06-03 | | Release date: | 2008-08-05 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Crystal structure of the RPA0582- protein of unknown function from Rhodopseudomonas palustris- a structural genomics target
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: | 2024-05-01 | | 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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3H6S
 | | Structure of clitocypin - cathepsin V complex | | Descriptor: | Cathepsin L2, Clitocypin analog, SULFATE ION | | Authors: | Renko, M, Sabotic, J, Brzin, J, Turk, D. | | Deposit date: | 2009-04-23 | | Release date: | 2009-10-20 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Versatile loops in mycocypins inhibit three protease families.
J.Biol.Chem., 285, 2010
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3H6R
 | | Clitocypin, a beta-trefoil cysteine protease inhibitor | | Descriptor: | Clitocypin analog | | 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 (1.948 Å) | | Cite: | Versatile loops in mycocypins inhibit three protease families.
J.Biol.Chem., 285, 2010
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