7AVD
 
 | | 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
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7AWU
 | | 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
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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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7AOL
 | | Structure of SARS-CoV-2 Main Protease bound to Climbazole | | Descriptor: | (1~{S})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one, 3C-like proteinase, 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, 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: | 2020-10-14 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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6Y0H
 | | High resolution structure of GH11 xylanase from Nectria haematococca | | Descriptor: | Endo-1,4-beta-xylanase | | Authors: | Andaleeb, H, Betzel, C, Perbandt, M, Brognaro, H. | | Deposit date: | 2020-02-07 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | High-resolution crystal structure and biochemical characterization of a GH11 endoxylanase from Nectria haematococca.
Sci Rep, 10, 2020
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4YZF
 | | Crystal structure of the anion exchanger domain of human erythrocyte Band 3 | | Descriptor: | 2,2'-ethane-1,2-diylbis{5-[(sulfanylmethyl)amino]benzenesulfonic acid}, Band 3 anion transport protein, FAB fragment of Immunoglobulin (IgG) molecule | | Authors: | Alguel, Y, Arakawa, T, Yugiri, T.K, Iwanari, H, Hatae, H, Iwata, M, Abe, Y, Hino, T, Suno, C.I, Kuma, H, Kang, D, Murata, T, Hamakubo, T, Cameron, A.D, Kobayashi, T, Hamasaki, N, Iwata, S. | | Deposit date: | 2015-03-25 | | Release date: | 2015-11-04 | | Last modified: | 2015-11-18 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Crystal structure of the anion exchanger domain of human erythrocyte band 3.
Science, 350, 2015
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1AZR
 | | CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA ZINC AZURIN MUTANT ASP47ASP AT 2.4 ANGSTROMS RESOLUTION | | Descriptor: | AZURIN, COPPER (II) ION, NITRATE ION | | Authors: | Sjolin, L, Tsai, Lc, Langer, V, Pascher, T, Karlsson, G, Nordling, M, Nar, H. | | Deposit date: | 1993-03-04 | | Release date: | 1993-07-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of Pseudomonas aeruginosai zinc azurin mutant Asn47Asp at 2.4 A resolution.
Acta Crystallogr.,Sect.D, 49, 1993
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5A16
 | | Crystal structure of Fab4201 raised against Human Erythrocyte Anion Exchanger 1 | | Descriptor: | FAB4201 HEAVY CHAIN | | Authors: | Arakawa, T, Kobayashi-Yugiri, T, Alguel, Y, Weyand, S, Iwanari, H, Hatae, H, Iwata, M, Abe, Y, Hino, T, Ikeda-Suno, C, Kuma, H, Kang, D, Murata, T, Hamakubo, T, Cameron, A, Kobayashi, T, Hamasaki, N, Iwata, S. | | Deposit date: | 2015-04-28 | | Release date: | 2015-06-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of the Anion Exchanger Domain of Human Erythrocyte Band 3
Science, 350, 2015
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1AZN
 | | CRYSTAL STRUCTURE OF THE AZURIN MUTANT PHE114ALA FROM PSEUDOMONAS AERUGINOSA AT 2.6 ANGSTROMS RESOLUTION | | Descriptor: | AZURIN, COPPER (II) ION | | Authors: | Tsai, L.-C, Sjolin, L, Langer, V, Pascher, T, Nar, H. | | Deposit date: | 1994-05-27 | | Release date: | 1994-10-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of the azurin mutant Phe114Ala from Pseudomonas aeruginosa at 2.6 A resolution.
Acta Crystallogr.,Sect.D, 51, 1995
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5A4H
 | | Solution structure of the lipid droplet anchoring peptide of CGI-58 bound to DPC micelles | | Descriptor: | 1-ACYLGLYCEROL-3-PHOSPHATE O-ACYLTRANSFERASE ABHD5 | | Authors: | Boeszoermenyi, A, Arthanari, H, Wagner, G, Nagy, H.M, Zangger, K, Lindermuth, H, Oberer, M. | | Deposit date: | 2015-06-09 | | Release date: | 2015-09-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of a Cgi-58 Motif Provides the Molecular Basis of Lipid Droplet Anchoring.
J.Biol.Chem., 290, 2015
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1B66
 | | 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE | | Descriptor: | 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE, BIOPTERIN, ZINC ION | | Authors: | Ploom, T, Thoeny, B, Yim, J, Lee, S, Nar, H, Leimbacher, W, Huber, R, Richardson, J, Auerbach, G. | | Deposit date: | 1999-01-20 | | Release date: | 1999-04-27 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic and kinetic investigations on the mechanism of 6-pyruvoyl tetrahydropterin synthase.
J.Mol.Biol., 286, 1999
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1B6Z
 | | 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE | | Descriptor: | 6-pyruvoyl tetrahydropterin synthase, ZINC ION | | Authors: | Ploom, T, Thoeny, B, Yim, J, Lee, S, Nar, H, Leimbacher, W, Huber, R, Richardson, J, Auerbach, G. | | Deposit date: | 1999-01-18 | | Release date: | 2000-01-21 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic and kinetic investigations on the mechanism of 6-pyruvoyl tetrahydropterin synthase.
J.Mol.Biol., 286, 1999
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5BXV
 | | eIF4E complex | | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E, Eukaryotic translation initiation factor 4E-binding protein 1 | | Authors: | Sekiyama, N, Arthanari, H, Papdopoulos, E, Rodriguez-Mias, R.A, Wagner, G, Leger-Abraham, M. | | Deposit date: | 2015-06-09 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular mechanism of the dual activity of 4EGI-1: Dissociating eIF4G from eIF4E but stabilizing the binding of unphosphorylated 4E-BP1.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5A3G
 | | Structure of herpesvirus nuclear egress complex subunit M50 | | Descriptor: | M50 | | Authors: | Leigh, K.E, Boeszoermenyi, A, Mansueto, M.S, Sharma, M, Filman, D.J, Coen, D.M, Wagner, G, Hogle, J.M, Arthanari, H. | | Deposit date: | 2015-06-01 | | Release date: | 2015-07-15 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Structure of a Herpesvirus Nuclear Egress Complex Subunit Reveals an Interaction Groove that is Essential for Viral Replication
Proc.Natl.Acad.Sci.USA, 112, 2015
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5B22
 | | Dimer structure of murine Nectin-3 D1D2 | | Descriptor: | Nectin-3, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Takebe, K, Sangawa, T, Katsutani, T, Narita, H, Suzuki, M. | | Deposit date: | 2015-12-28 | | Release date: | 2016-12-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Dimer structure of murine Nectin-3 D1D2
To Be Published
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6CZR
 | | The structure of amicetin bound to the 70S ribosome | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Eiler, D.R, Steitz, T.A, Looper, R.E, Serrano, C.M, Kannareddy, H.R, Koch, M.R, Barrows, L.R, Testa, C.A, Sebahar, P.R. | | Deposit date: | 2018-04-09 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.14 Å) | | Cite: | Unifying the Aminohexopyranose- and Peptidyl-Nucleoside Antibiotics: Implications for Antibiotic Design
Angew.Chem.Int.Ed.Engl., 132, 2020
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5IJ4
 | | Solution structure of AN1-type zinc finger domain from Cuz1 (Cdc48 associated ubiquitin-like/zinc-finger protein-1) | | Descriptor: | CDC48-associated ubiquitin-like/zinc finger protein 1, ZINC ION | | Authors: | Sun, Z.-Y.J, Hanna, J, Wagner, G, Bhanu, M.K, Allan, M, Arthanari, H. | | Deposit date: | 2016-03-01 | | Release date: | 2016-10-05 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the Cuz1 AN1 Zinc Finger Domain: An Exposed LDFLP Motif Defines a Subfamily of AN1 Proteins.
Plos One, 11, 2016
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3WIH
 | | Crystal structure of the third fibronectin domain (Fn3) of human ROBO1 in complex with the Fab fragment of murine monoclonal antibody B2212A. | | Descriptor: | GLYCEROL, Roundabout homolog 1, anti-human ROBO1 antibody B2212A Fab heavy chain, ... | | Authors: | Nakayama, T, Mizohata, E, Yamashita, T, Nagatoishi, M, Iwanari, H, Mochizuki, Y, Kado, Y, Yokota, Y, Sato, R, Tsumoto, K, Fujitani, H, Kodama, T, Hamakubo, T, Inoue, T. | | Deposit date: | 2013-09-12 | | Release date: | 2015-01-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Structural features of interfacial tyrosine residue in ROBO1 fibronectin domain-antibody complex: Crystallographic, thermodynamic, and molecular dynamic analyses
Protein Sci., 24, 2015
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3WII
 | | Crystal structure of the Fab fragment of B2212A, a murine monoclonal antibody specific for the third fibronectin domain (Fn3) of human ROBO1. | | Descriptor: | anti-human ROBO1 antibody B2212A Fab heavy chain, anti-human ROBO1 antibody B2212A Fab light chain | | Authors: | Nakayama, T, Mizohata, E, Yamashita, T, Nagatoishi, S, Nakakido, M, Iwanari, H, Mochizuki, Y, Kado, Y, Yokota, Y, Sato, R, Tsumoto, K, Fujitani, H, Kodama, T, Hamakubo, T, Inoue, T. | | Deposit date: | 2013-09-12 | | Release date: | 2015-01-21 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural features of interfacial tyrosine residue in ROBO1 fibronectin domain-antibody complex: Crystallographic, thermodynamic, and molecular dynamic analyses
Protein Sci., 24, 2015
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3VQG
 | | Crystal Structure Analysis of the PDZ Domain Derived from the Tight Junction Regulating Protein | | Descriptor: | C-terminal peptide from Immunoglobulin superfamily member 5, E3 ubiquitin-protein ligase LNX, SULFATE ION | | Authors: | Akiyoshi, Y, Hamada, D, Goda, N, Tenno, T, Narita, H, Nakagawa, A, Furuse, M, Suzuki, M, Hiroaki, H. | | Deposit date: | 2012-03-23 | | Release date: | 2013-03-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural basis for down regulation of tight junction by PDZ-domain containing E3-Ubiquitin ligase
To be Published
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3OYP
 | | HCV NS3/4A in complex with ligand 3 | | Descriptor: | Non-structural protein 4A, Peptidomimetic inhibitor, Serine protease NS3, ... | | Authors: | Hagel, M, Niu, D, St.Martin, T, Sheets, M.P, Qiao, L, Bernard, H, Karp, R.M, Zhu, Z, Labenski, M.T, Chaturvedi, P.C, Nacht, M, Westlin, W.F, Petter, R.C, Singh, J. | | Deposit date: | 2010-09-23 | | Release date: | 2010-12-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Selective irreversible inhibition of a protease by targeting a noncatalytic cysteine.
Nat.Chem.Biol., 7, 2011
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3LKF
 | | LEUKOCIDIN F (HLGB) FROM STAPHYLOCOCCUS AUREUS WITH PHOSPHOCHOLINE BOUND | | Descriptor: | LEUKOCIDIN F SUBUNIT, PHOSPHOCHOLINE | | Authors: | Olson, R, Nariya, H, Yokota, K, Kamio, Y, Gouaux, J.E. | | Deposit date: | 1998-07-28 | | Release date: | 1999-07-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of staphylococcal LukF delineates conformational changes accompanying formation of a transmembrane channel.
Nat.Struct.Biol., 6, 1999
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3VG9
 | | Crystal structure of human adenosine A2A receptor with an allosteric inverse-agonist antibody at 2.7 A resolution | | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Hino, T, Arakawa, T, Iwanari, H, Yurugi-Kobayashi, T, Ikeda-Suno, C, Nakada-Nakura, Y, Kusano-Arai, O, Weyand, S, Shimamura, T, Nomura, N, Cameron, A.D, Kobayashi, T, Hamakubo, T, Iwata, S, Murata, T. | | Deposit date: | 2011-08-04 | | Release date: | 2012-02-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | G-protein-coupled receptor inactivation by an allosteric inverse-agonist antibody
Nature, 482, 2012
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4D7X
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3ASQ
 | | Crystal structure of P domain from Norovirus Funabashi258 stain in the complex with H-antigen | | Descriptor: | Capsid protein, P-NITROPHENOL, SODIUM ION, ... | | Authors: | Kubota, T, Kumagai, A, Itoh, H, Furukawa, S, Narimatsu, H, Wakita, T, Ishii, K, Takeda, N, Someya, Y, Shirato, H. | | Deposit date: | 2010-12-17 | | Release date: | 2012-01-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis for the recognition of Lewis antigens by genogroup I norovirus
J.Virol., 86, 2012
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