3ITI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3iti by Molmil](/molmil-images/mine/3iti) | Structure of bovine trypsin with the MAD triangle B3C | Descriptor: | 5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid, BENZAMIDINE, CALCIUM ION, ... | Authors: | Beck, T, da Cunha, C.E, Sheldrick, G.M. | Deposit date: | 2009-08-28 | Release date: | 2009-10-27 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | How to get the magic triangle and the MAD triangle into your protein crystal. Acta Crystallogr.,Sect.F, 65, 2009
|
|
3GT4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gt4 by Molmil](/molmil-images/mine/3gt4) | Structure of proteinase K with the magic triangle I3C | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, SULFATE ION, proteinase K | Authors: | Beck, T, Gruene, T, Sheldrick, G.M. | Deposit date: | 2009-03-27 | Release date: | 2009-04-14 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | The magic triangle goes MAD: experimental phasing with a bromine derivative Acta Crystallogr.,Sect.D, 66, 2010
|
|
3GT3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gt3 by Molmil](/molmil-images/mine/3gt3) | Structure of proteinase K with the mad triangle B3C | Descriptor: | 5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid, Proteinase K, SULFATE ION | Authors: | Beck, T, Gruene, T, Sheldrick, G.M. | Deposit date: | 2009-03-27 | Release date: | 2009-04-14 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The magic triangle goes MAD: experimental phasing with a bromine derivative Acta Crystallogr.,Sect.D, 66, 2010
|
|
3E3S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3e3s by Molmil](/molmil-images/mine/3e3s) | Structure of thaumatin with the magic triangle I3C | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, L(+)-TARTARIC ACID, POTASSIUM ION, ... | Authors: | Beck, T, Gruene, T, Sheldrick, G.M. | Deposit date: | 2008-08-08 | Release date: | 2008-10-28 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | A magic triangle for experimental phasing of macromolecules Acta Crystallogr.,Sect.D, 64, 2008
|
|
3E3D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3e3d by Molmil](/molmil-images/mine/3e3d) | Structure of hen egg white lysozyme with the magic triangle I3C | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Lysozyme C | Authors: | Beck, T, Gruene, T, Sheldrick, G.M. | Deposit date: | 2008-08-07 | Release date: | 2008-10-28 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A magic triangle for experimental phasing of macromolecules Acta Crystallogr.,Sect.D, 64, 2008
|
|
3E3T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3e3t by Molmil](/molmil-images/mine/3e3t) | Structure of porcine pancreatic elastase with the magic triangle I3C | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Elastase-1, IODIDE ION, ... | Authors: | Beck, T, Gruene, T, Sheldrick, G.M. | Deposit date: | 2008-08-08 | Release date: | 2008-10-28 | Last modified: | 2012-04-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A magic triangle for experimental phasing of macromolecules Acta Crystallogr.,Sect.D, 64, 2008
|
|
4LC9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lc9 by Molmil](/molmil-images/mine/4lc9) | |
4O5T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o5t by Molmil](/molmil-images/mine/4o5t) | Crystal structure of Diels-Alderase CE20 in complex with a product analog | Descriptor: | 4-{[2-(phosphonooxy)ethyl]carbamoyl}benzyl [(1R,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamate, Diisopropyl-fluorophosphatase | Authors: | Beck, T, Preiswerk, N, Mayer, C, Hilvert, D. | Deposit date: | 2013-12-20 | Release date: | 2014-06-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Impact of scaffold rigidity on the design and evolution of an artificial Diels-Alderase. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4O5S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o5s by Molmil](/molmil-images/mine/4o5s) | |
4PA8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pa8 by Molmil](/molmil-images/mine/4pa8) | Crystal structure of a de novo retro-aldolase catalyzing asymmetric Michael additions, with a covalently bound product analog | Descriptor: | (3R)-3-(4-methoxyphenyl)-5-oxohexanenitrile, GLYCEROL, SULFATE ION, ... | Authors: | Beck, T, Garrabou Pi, X, Hilvert, D. | Deposit date: | 2014-04-07 | Release date: | 2015-04-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | A Promiscuous De Novo Retro-Aldolase Catalyzes Asymmetric Michael Additions via Schiff Base Intermediates. Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
2WWA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wwa by Molmil](/molmil-images/mine/2wwa) | Cryo-EM structure of idle yeast Ssh1 complex bound to the yeast 80S ribosome | Descriptor: | 25S RRNA, 60S RIBOSOMAL PROTEIN L17-A, 60S RIBOSOMAL PROTEIN L19, ... | Authors: | Becker, T, Mandon, E, Bhushan, S, Jarasch, A, Armache, J.P, Funes, S, Jossinet, F, Gumbart, J, Mielke, T, Berninghausen, O, Schulten, K, Westhof, E, Gilmore, R, Beckmann, R. | Deposit date: | 2009-10-22 | Release date: | 2009-12-08 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (8.9 Å) | Cite: | Structure of Monomeric Yeast and Mammalian Sec61 Complexes Interacting with the Translating Ribosome. Science, 326, 2009
|
|
3IZQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3izq by Molmil](/molmil-images/mine/3izq) | Structure of the Dom34-Hbs1-GDPNP complex bound to a translating ribosome | Descriptor: | Elongation factor 1 alpha-like protein, Protein DOM34 | Authors: | Becker, T, Armache, J.-P, Jarasch, A, Anger, A.M, Villa, E, Sieber, H, Abdel Motaal, B, Mielke, T, Berninghausen, O, Beckmann, R. | Deposit date: | 2010-11-30 | Release date: | 2011-06-01 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (9.5 Å) | Cite: | Structure of the no-go mRNA decay complex Dom34-Hbs1 bound to a stalled 80S ribosome. Nat.Struct.Mol.Biol., 18, 2011
|
|
2WW9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ww9 by Molmil](/molmil-images/mine/2ww9) | Cryo-EM structure of the active yeast Ssh1 complex bound to the yeast 80S ribosome | Descriptor: | 25S RRNA, 60S RIBOSOMAL PROTEIN L17-A, 60S RIBOSOMAL PROTEIN L19, ... | Authors: | Becker, T, Mandon, E, Bhushan, S, Jarasch, A, Armache, J.P, Funes, S, Jossinet, F, Gumbart, J, Mielke, T, Berninghausen, O, Schulten, K, Westhof, E, Gilmore, R, Beckmann, R. | Deposit date: | 2009-10-22 | Release date: | 2009-12-08 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (8.6 Å) | Cite: | Structure of Monomeric Yeast and Mammalian Sec61 Complexes Interacting with the Translating Ribosome. Science, 326, 2009
|
|
2WWB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wwb by Molmil](/molmil-images/mine/2wwb) | CRYO-EM STRUCTURE OF THE MAMMALIAN SEC61 COMPLEX BOUND TO THE ACTIVELY TRANSLATING WHEAT GERM 80S RIBOSOME | Descriptor: | 25S RRNA, 5.8S RRNA, 60S RIBOSOMAL PROTEIN L17-A, ... | Authors: | Becker, T, Mandon, E, Bhushan, S, Jarasch, A, Armache, J.P, Funes, S, Jossinet, F, Gumbart, J, Mielke, T, Berninghausen, O, Schulten, K, Westhof, E, Gilmore, R, Beckmann, R. | Deposit date: | 2009-10-22 | Release date: | 2009-12-08 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (6.48 Å) | Cite: | Structure of Monomeric Yeast and Mammalian Sec61 Complexes Interacting with the Translating Ribosome. Science, 326, 2009
|
|
3J16
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3j16 by Molmil](/molmil-images/mine/3j16) | Models of ribosome-bound Dom34p and Rli1p and their ribosomal binding partners | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S24-A, ... | Authors: | Becker, T, Franckenberg, S, Wickles, S, Shoemaker, C.J, Anger, A.M, Armache, J.-P, Sieber, H, Ungewickell, C, Berninghausen, O, Daberkow, I, Karcher, A, Thomm, M, Hopfner, K.-P, Green, R, Beckmann, R. | Deposit date: | 2011-12-12 | Release date: | 2012-02-22 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (7.2 Å) | Cite: | Structural basis of highly conserved ribosome recycling in eukaryotes and archaea. Nature, 482, 2012
|
|
3J15
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3j15 by Molmil](/molmil-images/mine/3j15) | Model of ribosome-bound archaeal Pelota and ABCE1 | Descriptor: | ABC transporter ATP-binding protein, ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER, ... | Authors: | Becker, T, Franckenberg, S, Wickles, S, Shoemaker, C.J, Anger, A.M, Armache, J.-P, Sieber, H, Ungewickell, C, Berninghausen, O, Daberkow, I, Karcher, A, Thomm, M, Hopfner, K.-P, Green, R, Beckmann, R. | Deposit date: | 2011-12-12 | Release date: | 2012-02-22 | Last modified: | 2018-08-22 | Method: | ELECTRON MICROSCOPY (6.6 Å) | Cite: | Structural basis of highly conserved ribosome recycling in eukaryotes and archaea. Nature, 482, 2012
|
|
1BJ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bj8 by Molmil](/molmil-images/mine/1bj8) | THIRD N-TERMINAL DOMAIN OF GP130, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | GP130 | Authors: | Kernebeck, T, Pflanz, S, Muller-Newen, G, Kurapkat, G, Scheek, R.M, Dijkstra, K, Heinrich, P.C, Wollmer, A, Grzesiek, S, Grotzinger, J. | Deposit date: | 1998-07-02 | Release date: | 1999-01-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The signal transducer gp130: solution structure of the carboxy-terminal domain of the cytokine receptor homology region. Protein Sci., 8, 1999
|
|
7NEV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nev by Molmil](/molmil-images/mine/7nev) | Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, 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, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, 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, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, 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: | 2021-02-05 | Release date: | 2021-03-03 | 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
|
|
7Z3U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7z3u by Molmil](/molmil-images/mine/7z3u) | Crystal structure of SARS-CoV-2 Main Protease after incubation with Sulfo-Calpeptin | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, Calpetin, ... | 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: | 2022-03-02 | Release date: | 2023-03-22 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
|
|
7Z2K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7z2k by Molmil](/molmil-images/mine/7z2k) | Crystal structure of SARS-CoV-2 Main Protease in orthorhombic space group p212121 | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 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: | 2022-02-28 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections To Be Published
|
|
7Z58
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7z58 by Molmil](/molmil-images/mine/7z58) | Crystal structure of human Cathepsin L in complex with covalently bound Calpeptin | Descriptor: | 1,2-ETHANEDIOL, Calpeptin, Cathepsin L, ... | 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: | 2022-03-08 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
|
|
7Z3T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7z3t by Molmil](/molmil-images/mine/7z3t) | Crystal structure of apo human Cathepsin L | Descriptor: | 1,2-ETHANEDIOL, 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: | 2022-03-02 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
|
|
6YNQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ynq by Molmil](/molmil-images/mine/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
|
|
6YVF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yvf by Molmil](/molmil-images/mine/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
|
|
7ABU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7abu by Molmil](/molmil-images/mine/7abu) | Structure of SARS-CoV-2 Main Protease bound to RS102895 | Descriptor: | 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one, 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: | 2020-09-08 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | 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
|
|