2KGB
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![BU of 2kgb by Molmil](/molmil-images/mine/2kgb) | NMR solution of the regulatory domain cardiac F77W-Troponin C in complex with the cardiac Troponin I 144-163 switch peptide | Descriptor: | CALCIUM ION, Troponin C, slow skeletal and cardiac muscles, ... | Authors: | Mercier, P, Julien, O, Crane, M.L, Sykes, B.D. | Deposit date: | 2009-03-07 | Release date: | 2009-03-24 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The effect of the cosolvent trifluoroethanol on a tryptophan side chain orientation in the hydrophobic core of troponin C. Protein Sci., 18, 2009
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2KGK
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![BU of 2kgk by Molmil](/molmil-images/mine/2kgk) | Solution structure of Bacillus anthracis dihydrofolate reductase | Descriptor: | 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Deshmukh, L, Vinogradova, O, Beierlein, J.M, Frey, K.M, Anderson, A.C. | Deposit date: | 2009-03-12 | Release date: | 2009-05-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The solution structure of Bacillus anthracis dihydrofolate reductase yields insight into the analysis of structure-activity relationships for novel inhibitors. Biochemistry, 48, 2009
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2KBG
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![BU of 2kbg by Molmil](/molmil-images/mine/2kbg) | Solution structure of the second Fibronectin type-III module of NCAM2 | Descriptor: | Neural cell adhesion molecule 2 | Authors: | Rasmussen, K.K, Teilum, K, Kulahin, N, Clausen, O, Berezin, V, Bock, E, Walmod, P.S, Poulsen, F.M. | Deposit date: | 2008-11-28 | Release date: | 2009-12-01 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the second Fibronectin type-III module of NCAM2 To be Published
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2KAK
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![BU of 2kak by Molmil](/molmil-images/mine/2kak) | Solution structure of the beta-E-domain of wheat Ec-1 metallothionein | Descriptor: | EC protein I/II, ZINC ION | Authors: | Peroza, E.A, Schmucki, R, Guntert, P, Freisinger, E, Zerbe, O. | Deposit date: | 2008-11-06 | Release date: | 2009-05-05 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The beta(E)-domain of wheat E(c)-1 metallothionein: a metal-binding domain with a distinctive structure. J.Mol.Biol., 387, 2009
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2KDU
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![BU of 2kdu by Molmil](/molmil-images/mine/2kdu) | Structural basis of the Munc13-1/Ca2+-Calmodulin interaction: A novel 1-26 calmodulin binding motif with a bipartite binding mode | Descriptor: | CALCIUM ION, Calmodulin, Protein unc-13 homolog A | Authors: | Rodriguez-Castaneda, F.A, Maestre-Martinez, M, Coudevylle, N, Dimova, K, Jahn, O, Junge, H, Becker, S, Brose, N, Carlomagno, T, Griesinger, C. | Deposit date: | 2009-01-19 | Release date: | 2009-12-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Modular architecture of Munc13/calmodulin complexes: dual regulation by Ca2+ and possible function in short-term synaptic plasticity. Embo J., 29, 2010
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2K7Z
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![BU of 2k7z by Molmil](/molmil-images/mine/2k7z) | |
2K9P
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![BU of 2k9p by Molmil](/molmil-images/mine/2k9p) | |
2KI9
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![BU of 2ki9 by Molmil](/molmil-images/mine/2ki9) | Human cannabinoid receptor-2 helix 6 | Descriptor: | Cannabinoid receptor 2 | Authors: | Deshmukh, L, Vinogradova, O, Tiburu, E.K, Tyukhtenko, S, Janero, D.R, Makriyannis, A. | Deposit date: | 2009-04-28 | Release date: | 2009-05-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural biology of human cannabinoid receptor-2 helix 6 in membrane-mimetic environments. Biochem.Biophys.Res.Commun., 384, 2009
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2KKH
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![BU of 2kkh by Molmil](/molmil-images/mine/2kkh) | Structure of the zinc binding domain of the ATPase HMA4 | Descriptor: | Putative heavy metal transporter, ZINC ION | Authors: | Zimmerman, M, Clarke, O, Gulbis, J.M, Keizer, D.W, Jarvis, R.S, Cobbett, C.S, Hinds, M.G, Xiao, Z, Wedd, A.G. | Deposit date: | 2009-06-20 | Release date: | 2010-01-26 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Metal binding affinities of Arabidopsis zinc and copper transporters: selectivities match the relative, but not the absolute, affinities of their amino-terminal domains Biochemistry, 48, 2009
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2KXC
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![BU of 2kxc by Molmil](/molmil-images/mine/2kxc) | 1H, 13C, and 15N Chemical Shift Assignments for IRTKS-SH3 and EspFu-R47 complex | Descriptor: | Brain-specific angiogenesis inhibitor 1-associated protein 2-like protein 1, EspF-like protein | Authors: | Aitio, O, Hellman, M, Kazlauskas, A, Vingadassalom, D.F, Leong, J.M, Saksela, K, Permi, P. | Deposit date: | 2010-04-30 | Release date: | 2010-11-17 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Recognition of tandem PxxP motifs as a unique Src homology 3-binding mode triggers pathogen-driven actin assembly Proc.Natl.Acad.Sci.USA, 107, 2010
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2KO0
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![BU of 2ko0 by Molmil](/molmil-images/mine/2ko0) | Solution structure of the THAP zinc finger of THAP1 in complex with its DNA target | Descriptor: | RRM1, THAP domain-containing protein 1, ZINC ION | Authors: | Campagne, S, Gervais, V, Saurel, O, Milon, A. | Deposit date: | 2009-09-08 | Release date: | 2010-01-19 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structural determinants of specific DNA-recognition by the THAP zinc finger Nucleic Acids Res., 2010
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2KXM
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![BU of 2kxm by Molmil](/molmil-images/mine/2kxm) | Solution NMR Structure of the 27 nucleotide engineered neomycin sensing riboswitch RNA-ribostmycin complex | Descriptor: | RIBOSTAMYCIN, RNA (27-MER) | Authors: | Duchardt-Ferner, E, Weigand, J.E, Ohlenschlager, O, Schmidtke, S.R, Suess, B, Wohnert, J. | Deposit date: | 2010-05-10 | Release date: | 2011-04-20 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Highly modular structure and ligand binding by conformational capture in a minimalistic riboswitch. Angew.Chem.Int.Ed.Engl., 49, 2010
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2KV7
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![BU of 2kv7 by Molmil](/molmil-images/mine/2kv7) | NMR solution structure of a soluble PrgI mutant from Salmonella Typhimurium | Descriptor: | Protein prgI | Authors: | Schmidt, H, Poyraz, O, Seidel, K, Delissen, F, Ader, C, Tenenboim, H, Goosmann, C, Laube, B, Thuenemann, A.F, Zychlinski, A, Baldus, M, Lange, A, Griesinger, C, Kolbe, M. | Deposit date: | 2010-03-09 | Release date: | 2010-06-16 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Protein refolding is required for assembly of the type three secretion needle. Nat.Struct.Mol.Biol., 17, 2010
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8OZS
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![BU of 8ozs by Molmil](/molmil-images/mine/8ozs) | Populus tremula stable protein 1 with N-terminal binding peptide extension with hemin | Descriptor: | Stable protein 1 | Authors: | Sklyar, J, Zeibaq, Y, Bachar, O, Yehezkeli, O, Adir, N. | Deposit date: | 2023-05-09 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Bioengineered Stable Protein 1-Hemin Complex with Enhanced Peroxidase-Like Catalytic Properties Small Science, 2023
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8OZO
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![BU of 8ozo by Molmil](/molmil-images/mine/8ozo) | Populus tremula stable protein 1 with N-terminal binding peptide extension | Descriptor: | Stable protein 1 | Authors: | Sklyar, J, Zeibaq, Y, Bachar, O, Yehezkeli, O, Adir, N. | Deposit date: | 2023-05-09 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Bioengineered Stable Protein 1-Hemin Complex with Enhanced Peroxidase-Like Catalytic Properties Small Science, 2024
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8OZ4
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![BU of 8oz4 by Molmil](/molmil-images/mine/8oz4) | Populus tremula stable protein 1 with an alternate crystal lattice | Descriptor: | Stable protein 1 | Authors: | Sklyar, J, Zeibaq, Y, Bachar, O, Yehezkeli, O, Adir, N. | Deposit date: | 2023-05-08 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A Bioengineered Stable Protein 1-Hemin Complex with Enhanced Peroxidase-Like Catalytic Properties Small Science, 2024
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8OUQ
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![BU of 8ouq by Molmil](/molmil-images/mine/8ouq) | Clr-11 from Rattus norvegicus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C-type lectin domain family 2 member D11 | Authors: | Skalova, T, Blaha, J, Kalouskova, B, Skorepa, O, Vanek, O, Dohnalek, J. | Deposit date: | 2023-04-24 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Clr-11 from Rattus norvegicus To Be Published
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7AK4
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![BU of 7ak4 by Molmil](/molmil-images/mine/7ak4) | Structure of SARS-CoV-2 Main Protease bound to Tretazicar. | Descriptor: | 3C-like proteinase, 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE, 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: | 2020-09-29 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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7AMJ
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![BU of 7amj by Molmil](/molmil-images/mine/7amj) | Structure of SARS-CoV-2 Main Protease bound to PD 168568. | Descriptor: | (3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-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, Andaleeb, H, Werner, N, Falke, S, Hinrichs, W, Alves Franca, B, Schwinzer, M, Brognaro, H, 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, Boger, J, 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: | 2020-10-09 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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7AKU
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![BU of 7aku by Molmil](/molmil-images/mine/7aku) | Structure of SARS-CoV-2 Main Protease bound to Calpeptin. | Descriptor: | 3C-like proteinase, CHLORIDE ION, Calpeptin | 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: | 2020-10-02 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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7AX6
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![BU of 7ax6 by Molmil](/molmil-images/mine/7ax6) | Structure of SARS-CoV-2 Main Protease bound to Glutathione isopropyl ester | Descriptor: | (2~{S})-2-azanyl-5-oxidanylidene-5-[[(2~{S})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | Authors: | Guenther, S, Reinke, P.Y.A, 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, Lane, T.J, Dunkel, I, 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: | 2020-11-09 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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7AWR
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![BU of 7awr by Molmil](/molmil-images/mine/7awr) | Structure of SARS-CoV-2 Main Protease bound to Tegafur | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, TEGAFUR | Authors: | Guenther, S, Reinke, P.Y.A, 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, Lane, T.J, Dunkel, I, 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: | 2020-11-09 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.34 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
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![BU of 7arf by Molmil](/molmil-images/mine/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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7AY7
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![BU of 7ay7 by Molmil](/molmil-images/mine/7ay7) | Structure of SARS-CoV-2 Main Protease bound to Isofloxythepin | Descriptor: | 3C-like proteinase, 9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine, DI(HYDROXYETHYL)ETHER, ... | Authors: | Guenther, S, Reinke, P.Y.A, 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, Lane, T.J, Dunkel, I, 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: | 2020-11-11 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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7AR6
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![BU of 7ar6 by Molmil](/molmil-images/mine/7ar6) | Structure of apo SARS-CoV-2 Main Protease with large beta angle, space group C2. | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE | 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, Andaleeb, H, Werner, N, Falke, S, Hinrichs, W, Alves Franca, B, Schwinzer, M, Brognaro, H, 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, Boger, J, 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: | 2020-10-23 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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