1J93
| Crystal Structure and Substrate Binding Modeling of the Uroporphyrinogen-III Decarboxylase from Nicotiana tabacum: Implications for the Catalytic Mechanism | Descriptor: | SULFATE ION, UROPORPHYRINOGEN DECARBOXYLASE | Authors: | Martins, B.M, Grimm, B, Mock, H.-P, Huber, R, Messerschmidt, A. | Deposit date: | 2001-05-23 | Release date: | 2001-10-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure and substrate binding modeling of the uroporphyrinogen-III decarboxylase from Nicotiana tabacum. Implications for the catalytic mechanism J.Biol.Chem., 276, 2001
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1M1G
| Crystal Structure of Aquifex aeolicus N-utilization substance G (NusG), Space Group P2(1) | Descriptor: | Transcription antitermination protein nusG | Authors: | Steiner, T, Kaiser, J.T, Marinkovic, S, Huber, R, Wahl, M.C. | Deposit date: | 2002-06-19 | Release date: | 2003-02-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of transcription factor NusG in light of its nucleic
acid- and protein-binding activities Embo J., 21, 2002
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1M1H
| Crystal structure of Aquifex aeolicus N-utilization substance G (NusG), Space group I222 | Descriptor: | Transcription antitermination protein nusG | Authors: | Steiner, T, Kaiser, J.T, Marinkovic, S, Huber, R, Wahl, M.C. | Deposit date: | 2002-06-19 | Release date: | 2003-02-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structures of transcription factor NusG in light of its nucleic acid- and protein-binding activities Embo J., 21, 2002
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1TKU
| Crystal Structure of 3,4-Dihydroxy-2-butanone 4-phosphate Synthase of Candida albicans in complex with Ribulose-5-phosphate | Descriptor: | 3,4-Dihydroxy-2-butanone 4-phosphate Synthase, RIBULOSE-5-PHOSPHATE | Authors: | Echt, S, Bauer, S, Steinbacher, S, Huber, R, Bacher, A, Fischer, M. | Deposit date: | 2004-06-09 | Release date: | 2004-09-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Potential anti-infective targets in pathogenic yeasts: structure and properties of 3,4-dihydroxy-2-butanone 4-phosphate synthase of Candida albicans. J.Mol.Biol., 341, 2004
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1TL2
| TACHYLECTIN-2 FROM TACHYPLEUS TRIDENTATUS (JAPANESE HORSESHOE CRAB) | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, PROTEIN (TACHYLECTIN-2) | Authors: | Beisel, H.-G, Kawabata, S, Iwanaga, S, Huber, R, Bode, W. | Deposit date: | 1998-12-14 | Release date: | 1999-12-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Tachylectin-2: crystal structure of a specific GlcNAc/GalNAc-binding lectin involved in the innate immunity host defense of the Japanese horseshoe crab Tachypleus tridentatus. EMBO J., 18, 1999
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1URI
| AZURIN MUTANT WITH MET 121 REPLACED BY GLN | Descriptor: | AZURIN, COPPER (II) ION, SULFATE ION | Authors: | Romero, A, Nar, H, Huber, R, Messerschmidt, A. | Deposit date: | 1996-11-14 | Release date: | 1997-04-01 | Last modified: | 2018-04-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | X-ray analysis and spectroscopic characterization of M121Q azurin. A copper site model for stellacyanin. J.Mol.Biol., 229, 1993
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1SP8
| 4-Hydroxyphenylpyruvate Dioxygenase | Descriptor: | 4-Hydroxyphenylpyruvate Dioxygenase, FE (II) ION | Authors: | Fritze, I.M, Linden, L, Freigang, J, Auerbach, G, Huber, R, Steinbacher, S. | Deposit date: | 2004-03-16 | Release date: | 2004-09-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structures of Zea mays and Arabidopsis 4-Hydroxyphenylpyruvate Dioxygenase Plant physiol., 134, 2004
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1SP9
| 4-Hydroxyphenylpyruvate Dioxygenase | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, FE (II) ION | Authors: | Fritze, I.M, Linden, L, Freigang, J, Auerbach, G, Huber, R, Steinbacher, S. | Deposit date: | 2004-03-16 | Release date: | 2004-09-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The crystal structures of Zea mays and Arabidopsis 4-Hydroxyphenylpyruvate Dioxygenase Plant Physiol., 134, 2004
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1JFD
| STRUCTURE OF INORGANIC PYROPHOSPHATASE | Descriptor: | INORGANIC PYROPHOSPHATASE, SULFATE ION | Authors: | Oganesyan, V, Avaeva, S.M, Huber, R, Harutyunyan, E.H. | Deposit date: | 1997-05-31 | Release date: | 1997-12-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of Escherichia coli inorganic pyrophosphatase complexed with SO4(2-). Ligand-induced molecular asymmetry. FEBS Lett., 410, 1997
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1TKS
| Crystal structure of 3,4-Dihydroxy-2-butanone 4-phosphate Synthase of Candida albicans | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase | Authors: | Echt, S, Bauer, S, Steinbacher, S, Huber, R, Bacher, A, Fischer, M. | Deposit date: | 2004-06-09 | Release date: | 2004-09-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Potential anti-infective targets in pathogenic yeasts: structure and properties of 3,4-dihydroxy-2-butanone 4-phosphate synthase of Candida albicans. J.Mol.Biol., 341, 2004
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1LTO
| Human alpha1-tryptase | Descriptor: | alpha tryptase I | Authors: | Marquardt, U, Zettl, F, Huber, R, Bode, W, Sommerhoff, C.P. | Deposit date: | 2002-05-20 | Release date: | 2003-05-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Crystal Structure of Human alpha1-Tryptase Reveals a Blocked Substrate-binding Region J.MOL.BIOL., 321, 2002
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1T1I
| High Resolution Crystal Structure of Mutant W129A of Kumamolisin, a Sedolisin Type Proteinase (previously called Kumamolysin or KSCP) | Descriptor: | CALCIUM ION, SULFATE ION, kumamolisin | Authors: | Comellas-Bigler, M, Maskos, K, Huber, R, Oyama, H, Oda, K, Bode, W. | Deposit date: | 2004-04-16 | Release date: | 2004-08-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | 1.2 a crystal structure of the serine carboxyl proteinase pro-kumamolisin: structure of an intact pro-subtilase Structure, 12, 2004
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1LFW
| Crystal structure of pepV | Descriptor: | 3-[(1-AMINO-2-CARBOXY-ETHYL)-HYDROXY-PHOSPHINOYL]-2-METHYL-PROPIONIC ACID, ZINC ION, pepV | Authors: | Jozic, D, Bourenkow, G, Bartunik, H, Scholze, H, Dive, V, Henrich, B, Huber, R, Bode, W, Maskos, K. | Deposit date: | 2002-04-12 | Release date: | 2002-10-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of the Dinuclear Zinc Aminopeptidase PepV from Lactobacillus delbrueckii Unravels Its Preference for Dipeptides Structure, 10, 2002
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1SNN
| 3,4-dihydroxy-2-butanone 4-phosphate synthase from Methanococcus jannaschii | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, CALCIUM ION, RIBULOSE-5-PHOSPHATE, ... | Authors: | Steinbacher, S, Schiffmann, S, Huber, R, Bacher, A, Fischer, M. | Deposit date: | 2004-03-11 | Release date: | 2004-07-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Metal sites in 3,4-dihydroxy-2-butanone 4-phosphate synthase from Methanococcus jannaschii in complex with the substrate ribulose 5-phosphate. Acta Crystallogr.,Sect.D, 60, 2004
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4TXO
| Crystal structure of the mixed disulfide complex of thioredoxin-like TlpAs(C110S) and copper chaperone ScoIs(C74S) | Descriptor: | Blr1131 protein, DI(HYDROXYETHYL)ETHER, SODIUM ION, ... | Authors: | Scharer, M.A, Abicht, H.K, Glockshuber, R, Hennecke, H. | Deposit date: | 2014-07-04 | Release date: | 2014-10-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | How Periplasmic Thioredoxin TlpA Reduces Bacterial Copper Chaperone ScoI and Cytochrome Oxidase Subunit II (CoxB) Prior to Metallation. J.Biol.Chem., 289, 2014
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2FWH
| atomic resolution crystal structure of the C-terminal domain of the electron transfer catalyst DsbD (reduced form at pH7) | Descriptor: | DI(HYDROXYETHYL)ETHER, IODIDE ION, Thiol:disulfide interchange protein dsbD | Authors: | Stirnimann, C.U, Rozhkova, A, Grauschopf, U, Boeckmann, R.A, Glockshuber, R, Capitani, G, Gruetter, M.G. | Deposit date: | 2006-02-02 | Release date: | 2006-06-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | High-resolution structures of Escherichia coli cDsbD in different redox states: A combined crystallographic, biochemical and computational study J.Mol.Biol., 358, 2006
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2FWF
| high resolution crystal structure of the C-terminal domain of the electron transfer catalyst DsbD (reduced form) | Descriptor: | IODIDE ION, SODIUM ION, Thiol:disulfide interchange protein dsbD | Authors: | Stirnimann, C.U, Rozhkova, A, Grauschopf, U, Boeckmann, R.A, Glockshuber, R, Capitani, G, Gruetter, M.G. | Deposit date: | 2006-02-02 | Release date: | 2006-06-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High-resolution structures of Escherichia coli cDsbD in different redox states: A combined crystallographic, biochemical and computational study J.Mol.Biol., 358, 2006
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2FWE
| crystal structure of the C-terminal domain of the electron transfer catalyst DsbD (oxidized form) | Descriptor: | IODIDE ION, NICKEL (II) ION, SODIUM ION, ... | Authors: | Stirnimann, C.U, Rozhkova, A, Grauschopf, U, Boeckmann, R.A, Glockshuber, R, Capitani, G, Gruetter, M.G. | Deposit date: | 2006-02-02 | Release date: | 2006-06-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | High-resolution structures of Escherichia coli cDsbD in different redox states: A combined crystallographic, biochemical and computational study J.Mol.Biol., 358, 2006
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1T31
| A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | de Garavilla, L, Greco, M.N, Giardino, E.C, Wells, G.I, Haertlein, B.J, Kauffman, J.A, Corcoran, T.W, Derian, C.K, Eckardt, A.J, Abraham, W.M, Sukumar, N, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E, Andrade-Gordon, P, Damiano, B.P, Maryanoff, B.E, Pereira, P.J.B, Wang, Z.M, Rubin, H, Huber, R, Bode, W, Schechter, N.M, Strobl, S. | Deposit date: | 2004-04-23 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo. J.Biol.Chem., 280, 2005
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1MJZ
| STRUCTURE OF INORGANIC PYROPHOSPHATASE MUTANT D97N | Descriptor: | INORGANIC PYROPHOSPHATASE | Authors: | Oganesyan, V, Harutyunyan, E.H, Avaeva, S.M, Huber, R. | Deposit date: | 1997-02-08 | Release date: | 1997-12-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Three-dimensional structures of mutant forms of E. coli inorganic pyrophosphatase with Asp-->Asn single substitution in positions 42, 65, 70, and 97. Biochemistry Mosc., 63, 1998
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6YNQ
| Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone. | Descriptor: | (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, 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: | 2020-04-14 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | 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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6YVF
| Structure of SARS-CoV-2 Main Protease bound to AZD6482. | Descriptor: | 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, 3C-like proteinase, CALCIUM 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: | 2020-04-28 | Release date: | 2020-05-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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7AQJ
| Structure of SARS-CoV-2 Main Protease bound to Triglycidyl isocyanurate. | Descriptor: | 1-[(2~{R})-2-oxidanylpropyl]-3-[[(2~{R})-oxiran-2-yl]methyl]-5-[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione, 3C-like proteinase, Triglycidyl isocyanurate | Authors: | Ewert, W, 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: | 2020-10-22 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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7AF0
| Structure of SARS-CoV-2 Main Protease bound to Ipidacrine. | Descriptor: | 2,3,5,6,7,8-hexahydro-1~{H}-cyclopenta[b]quinolin-9-amine, 3C-like proteinase, 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: | 2020-09-18 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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7ARF
| Structure of SARS-CoV-2 Main Protease bound to thioglucose. | Descriptor: | (2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol, 3C-like proteinase, 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: | 2020-10-24 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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