Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 205 results

8VD8
DownloadVisualize
BU of 8vd8 by Molmil
SaPI1 portal structure in mature capsids containing DNA
Descriptor: Connector, Portal protein
Authors:Kizziah, J.L, Mukherjee, A, Dokland, T.
Deposit date:2023-12-14
Release date:2024-01-10
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the Portal Complex from Staphylococcus aureus Pathogenicity Island 1 Transducing Particles In Situ and In Isolation.
J.Mol.Biol., 436, 2023
8VD4
DownloadVisualize
BU of 8vd4 by Molmil
SaPI1 mature capsid structure containing DNA
Descriptor: Major head protein
Authors:Mukherjee, A, Kizziah, J.L, Dokland, T.
Deposit date:2023-12-14
Release date:2024-01-10
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the Portal Complex from Staphylococcus aureus Pathogenicity Island 1 Transducing Particles In Situ and In Isolation.
J.Mol.Biol., 436, 2023
8VD5
DownloadVisualize
BU of 8vd5 by Molmil
SaPI1 mature capsid structure without DNA
Descriptor: Major capsid protein
Authors:Mukherjee, A, Kizziah, J.L, Dokland, T.
Deposit date:2023-12-14
Release date:2024-01-10
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the Portal Complex from Staphylococcus aureus Pathogenicity Island 1 Transducing Particles In Situ and In Isolation.
J.Mol.Biol., 436, 2023
8V8B
DownloadVisualize
BU of 8v8b by Molmil
Structure of 80alpha portal protein expressed in E. coli
Descriptor: Portal protein
Authors:Kizziah, J.L, Mukherjee, A, Dokland, T.
Deposit date:2023-12-05
Release date:2024-01-10
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structure of the Portal Complex from Staphylococcus aureus Pathogenicity Island 1 Transducing Particles In Situ and In Isolation.
J.Mol.Biol., 436, 2023
8EGR
DownloadVisualize
BU of 8egr by Molmil
Upper tail structure of Staphylococcus phage Andhra
Descriptor: SGNH_hydro domain-containing protein, Upper collar protein, gp15, ...
Authors:Kizziah, J.L, Hawkins, N.C, Dokland, T.
Deposit date:2022-09-13
Release date:2022-12-14
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Structure and host specificity of Staphylococcus epidermidis bacteriophage Andhra.
Sci Adv, 8, 2022
8EQJ
DownloadVisualize
BU of 8eqj by Molmil
Structure of SARS-CoV-2 Orf3a in late endosome/lysosome-like membrane environment, MSP1D1 nanodisc
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ORF3a protein
Authors:Miller, A.N, Houlihan, P.R, Matamala, E, Cabezas-Bratesco, D, Lee, G.Y, Cristofori-Armstrong, B, Dilan, T.L, Sanchez-Martinez, S, Matthies, D, Yan, R, Yu, Z, Ren, D, Brauchi, S.E, Clapham, D.E.
Deposit date:2022-10-07
Release date:2023-02-08
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The SARS-CoV-2 accessory protein Orf3a is not an ion channel, but does interact with trafficking proteins.
Elife, 12, 2023
8EQU
DownloadVisualize
BU of 8equ by Molmil
Structure of SARS-CoV-2 Orf3a in late endosome/lysosome-like environment, Saposin A nanodisc
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ORF3a protein, Saposin A, ...
Authors:Miller, A.N, Houlihan, P.R, Matamala, E, Cabezas-Bratesco, D, Lee, G.Y, Cristofori-Armstrong, B, Dilan, T.L, Sanchez-Martinez, S, Matthies, D, Yan, R, Yu, Z, Ren, D, Brauchi, S.E, Clapham, D.E.
Deposit date:2022-10-09
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:The SARS-CoV-2 accessory protein Orf3a is not an ion channel, but does interact with trafficking proteins.
Elife, 12, 2023
8EQT
DownloadVisualize
BU of 8eqt by Molmil
Structure of SARS-CoV-2 Orf3a in plasma membrane-like environment, MSP1D1 nanodisc
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ORF3a protein
Authors:Miller, A.N, Houlihan, P.R, Matamala, E, Cabezas-Bratesco, D, Lee, G.Y, Cristofori-Armstrong, B, Dilan, T.L, Sanchez-Martinez, S, Matthies, D, Yan, R, Yu, Z, Ren, D, Brauchi, S.E, Clapham, D.E.
Deposit date:2022-10-09
Release date:2023-02-08
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The SARS-CoV-2 accessory protein Orf3a is not an ion channel, but does interact with trafficking proteins.
Elife, 12, 2023
8EQS
DownloadVisualize
BU of 8eqs by Molmil
Structure of SARS-CoV-1 Orf3a in late endosome/lysosome-like environment, MSP1D1 nanodisc
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Apolipoprotein A-I, ORF3a protein
Authors:Miller, A.N, Houlihan, P.R, Matamala, E, Cabezas-Bratesco, D, Lee, G.Y, Cristofori-Armstrong, B, Dilan, T.L, Sanchez-Martinez, S, Matthies, D, Yan, R, Yu, Z, Ren, D, Brauchi, S.E, Clapham, D.E.
Deposit date:2022-10-09
Release date:2023-02-08
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The SARS-CoV-2 accessory protein Orf3a is not an ion channel, but does interact with trafficking proteins.
Elife, 12, 2023
8EGS
DownloadVisualize
BU of 8egs by Molmil
Tail knob structure of Staphylococcus phage Andhra
Descriptor: Lower collar protein, Major tail protein
Authors:Kizziah, J.L, Hawkins, N.C, Dokland, T.
Deposit date:2022-09-13
Release date:2022-12-14
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite:Structure and host specificity of Staphylococcus epidermidis bacteriophage Andhra.
Sci Adv, 8, 2022
7PXZ
DownloadVisualize
BU of 7pxz by Molmil
Reduced form of SARS-CoV-2 Main Protease determined by XFEL radiation
Descriptor: 3C-like proteinase nsp5, CHLORIDE ION
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:2021-10-08
Release date:2023-01-18
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds.
Nat Commun, 15, 2024
7PZQ
DownloadVisualize
BU of 7pzq by Molmil
Oxidized form of SARS-CoV-2 Main Protease determined by XFEL radiation
Descriptor: 3C-like proteinase nsp5, 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:2024-07-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds.
Nat Commun, 15, 2024
8EGT
DownloadVisualize
BU of 8egt by Molmil
Capsid structure of Staphylococcus phage Andhra
Descriptor: Major capsid protein, gp19, capsid lining protein
Authors:Hawkins, N.C, Kizziah, J.L, Dokland, T.
Deposit date:2022-09-13
Release date:2022-12-14
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure and host specificity of Staphylococcus epidermidis bacteriophage Andhra.
Sci Adv, 8, 2022
8EJ5
DownloadVisualize
BU of 8ej5 by Molmil
Tail tip structure of Staphylococcus phage Andhra
Descriptor: gp1, tail tip protein, gp10, ...
Authors:Kizziah, J.L, Hawkins, N.C, Dokland, T.
Deposit date:2022-09-16
Release date:2022-12-14
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Structure and host specificity of Staphylococcus epidermidis bacteriophage Andhra.
Sci Adv, 8, 2022
1ZAR
DownloadVisualize
BU of 1zar by Molmil
Crystal Structure of A.fulgidus Rio2 Kinase Complexed With ADP and Manganese Ions
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Laronde-Leblanc, N, Guszczynski, T, Copeland, T, Wlodawer, A.
Deposit date:2005-04-06
Release date:2005-06-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Autophosphorylation of Archaeoglobus fulgidus Rio2 and crystal structures of its nucleotide-metal ion complexes.
Febs J., 272, 2005
1ZAO
DownloadVisualize
BU of 1zao by Molmil
Crystal Structure of A.fulgidus Rio2 Kinase Complexed With ATP and Manganese Ions
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Laronde-Leblanc, N, Guszczynski, T, Copeland, T, Wlodawer, A.
Deposit date:2005-04-06
Release date:2005-06-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Autophosphorylation of Archaeoglobus fulgidus Rio2 and crystal structures of its nucleotide-metal ion complexes.
Febs J., 272, 2005
6NUK
DownloadVisualize
BU of 6nuk by Molmil
De novo designed protein Ferredog-Diesel
Descriptor: Ferredog-Diesel
Authors:Koepnick, B, Bick, M.J, DiMaio, F, Norgard-Solano, T, Baker, D.
Deposit date:2019-02-01
Release date:2019-06-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:De novo protein design by citizen scientists.
Nature, 570, 2019
7ADW
DownloadVisualize
BU of 7adw by Molmil
Structure of SARS-CoV-2 Main Protease bound to 2,4'-Dimethylpropiophenone.
Descriptor: 2-methyl-1-(4-methylphenyl)propan-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:2020-09-16
Release date:2020-12-02
Last modified:2024-10-09
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
7A1U
DownloadVisualize
BU of 7a1u by Molmil
Structure of SARS-CoV-2 Main Protease bound to Fusidic Acid.
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, FUSIDIC ACID, ...
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, 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, 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:2020-08-14
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7AHA
DownloadVisualize
BU of 7aha by Molmil
Structure of SARS-CoV-2 Main Protease bound to Maleate.
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:2020-09-24
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7AGA
DownloadVisualize
BU of 7aga by Molmil
Structure of SARS-CoV-2 Main Protease bound to AT7519
Descriptor: 3C-like proteinase, 4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide, 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:2020-09-22
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7ANS
DownloadVisualize
BU of 7ans by Molmil
Structure of SARS-CoV-2 Main Protease bound to Adrafinil.
Descriptor: 2-[(diphenylmethyl)-oxidanyl-$l^{3}-sulfanyl]-~{N}-oxidanyl-ethanamide, 3C-like proteinase, DIMETHYL SULFOXIDE
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:2020-10-12
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
7AVD
DownloadVisualize
BU of 7avd by Molmil
Structure of SARS-CoV-2 Main Protease bound to SEN1269 ligand
Descriptor: 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol, 3C-like proteinase, CHLORIDE ION
Authors:Koua, F, Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Ewert, W, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, 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:2020-11-05
Release date:2020-12-02
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
7AWU
DownloadVisualize
BU of 7awu by Molmil
Structure of SARS-CoV-2 Main Protease bound to LSN2463359.
Descriptor: 3C-like proteinase, CHLORIDE ION, ~{N}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide
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:2020-11-09
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7AQJ
DownloadVisualize
BU of 7aqj by Molmil
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

225946

건을2024-10-09부터공개중

PDB statisticsPDBj update infoContact PDBjnumon