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PDB: 706 results

1J93
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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
1M1G
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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
1M1H
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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
1TKU
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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
1TL2
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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
1URI
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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
1SP8
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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
1SP9
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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
1JFD
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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
1TKS
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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
1LTO
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BU of 1lto by Molmil
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
1T1I
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BU of 1t1i by Molmil
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
1LFW
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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
1SNN
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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
4TXO
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BU of 4txo by Molmil
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
2FWH
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BU of 2fwh by Molmil
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
2FWF
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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
2FWE
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BU of 2fwe by Molmil
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
1T31
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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
1MJZ
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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
6YNQ
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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
6YVF
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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
7AQJ
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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
7AF0
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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
7ARF
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BU of 7arf by Molmil
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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