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2IBX
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BU of 2ibx by Molmil
Influenza virus (VN1194) H5 HA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
Authors:Yamada, S, Russell, R.J, Gamblin, S.J, Skehel, J.J, Kawaoka, Y.
Deposit date:2006-09-12
Release date:2006-11-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Haemagglutinin mutations responsible for the binding of H5N1 influenza A viruses to human-type receptors.
Nature, 444, 2006
4GHA
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BU of 4gha by Molmil
Crystal structure of Marburg virus VP35 RNA binding domain bound to 12-bp dsRNA
Descriptor: Polymerase cofactor VP35, RNA (5'-R(*CP*UP*AP*GP*AP*CP*GP*UP*CP*UP*AP*G)-3')
Authors:Bale, S, Jean-Philippe, J, Bornholdt, Z.A, Kimberlin, C.K, Halfmann, P, Zandonatti, M.A, Kunert, J, Kroon, G.J.A, Kawaoka, Y, MacRae, I.J, Wilson, I.A, Saphire, E.O.
Deposit date:2012-08-07
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Marburg Virus VP35 Can Both Fully Coat the Backbone and Cap the Ends of dsRNA for Interferon Antagonism.
Plos Pathog., 8, 2012
4GH9
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Crystal structure of Marburg virus VP35 RNA binding domain
Descriptor: ACETATE ION, Polymerase cofactor VP35
Authors:Bale, S, Jean-Philippe, J, Bornholdt, Z.A, Kimberlin, C.K, Halfmann, P, Zandonatti, M.A, Kunert, J, Kroon, G.J.A, Kawaoka, Y, MacRae, I.J, Wilson, I.A, Saphire, E.O.
Deposit date:2012-08-07
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Marburg Virus VP35 Can Both Fully Coat the Backbone and Cap the Ends of dsRNA for Interferon Antagonism.
Plos Pathog., 8, 2012
5Z9W
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BU of 5z9w by Molmil
Ebola virus nucleoprotein-RNA complex
Descriptor: Ebolavirus nucleoprotein (residues 19-406), RNA (6-MER)
Authors:Sugita, Y, Matsunami, H, Kawaoka, Y, Noda, T, Wolf, M.
Deposit date:2018-02-05
Release date:2018-10-24
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structure of the Ebola virus nucleoprotein-RNA complex at 3.6 angstrom resolution.
Nature, 563, 2018
4BGZ
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Crystal Structure of H5 (tyTy) Influenza Virus Haemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ HA1, HEMAGGLUTININ, ...
Authors:Xiong, X, Coombs, P, Martin, S.R, Liu, J, Xiao, H, McCauley, J.W, Locher, K, Walker, P.A, Collins, P.J, Kawaoka, Y, Skehel, J.J, Gamblin, S.J.
Deposit date:2013-03-29
Release date:2013-04-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Receptor Binding by a Ferret-Transmissible H5 Avian Influenza Virus.
Nature, 497, 2013
4BH0
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H5 (tyTy) Influenza Virus Haemagglutinin in Complex with Human Receptor Analogue 6'-SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, ...
Authors:Xiong, X, Coombs, P.J, Martin, S.R, Liu, J, Xiao, H, McCauley, J.W, Locher, K, Walker, P.A, Collins, P.J, Kawaoka, Y, Skehel, J.J, Gamblin, S.J.
Deposit date:2013-03-29
Release date:2013-04-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Receptor Binding by a Ferret-Transmissible H5 Avian Influenza Virus
Nature, 497, 2013
4BH1
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BU of 4bh1 by Molmil
H5 (tyTy) Influenza Virus Haemagglutinin in Complex with Avian Receptor Analogue 3'-SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xiong, X, Coombs, P.J, Martin, S.R, Liu, J, Xiao, H, McCauley, J.W, Locher, K, Walker, P.A, Collins, P.J, Kawaoka, Y, Skehel, J.J, Gamblin, S.J.
Deposit date:2013-03-29
Release date:2013-04-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Receptor Binding by a Ferret-Transmissible H5 Avian Influenza Virus
Nature, 497, 2013
4BH3
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Haemagglutinin from a Transmissible Mutant H5 Influenza Virus in Complex with Human Receptor Analogue 6'-SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEMAGGLUTININ, ...
Authors:Xiong, X, Coombs, P.J, Martin, S.R, Liu, J, Xiao, H, McCauley, J.W, Locher, K, Walker, P.A, Collins, P.J, Kawaoka, Y, Skehel, J.J, Gamblin, S.J.
Deposit date:2013-03-29
Release date:2013-04-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Receptor Binding by a Ferret-Transmissible H5 Avian Influenza Virus
Nature, 497, 2013
4BH4
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BU of 4bh4 by Molmil
Haemagglutinin from a Transmissible Mutant H5 Influenza Virus in Complex with Avian Receptor Analogue 3'-SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEMAGGLUTININ, ...
Authors:Xiong, X, Coombs, P.J, Martin, S.R, Liu, J, Xiao, H, McCauley, J.W, Locher, K, Walker, P.A, Collins, P.J, Kawaoka, Y, Skehel, J.J, Gamblin, S.J.
Deposit date:2013-03-29
Release date:2013-04-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Receptor Binding by a Ferret-Transmissible H5 Avian Influenza Virus
Nature, 497, 2013
4BGW
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BU of 4bgw by Molmil
Crystal Structure of H5 (VN1194) Influenza Haemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xiong, X, Coombs, P, Martin, S.R, Liu, J, Xiao, H, McCauley, J.W, Locher, K, Walker, P.A, Collins, P.J, Kawaoka, Y, Skehel, J.J, Gamblin, S.J.
Deposit date:2013-03-29
Release date:2013-04-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Receptor Binding by a Ferret-Transmissible H5 Avian Influenza Virus.
Nature, 497, 2013
4BGY
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BU of 4bgy by Molmil
H5 (VN1194) Influenza Virus Haemagglutinin in Complex with Avian Receptor Analogue 3'-SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEMAGGLUTININ, ...
Authors:Xiong, X, Coombs, P, Martin, S.R, Liu, J, Xiao, H, McCauley, J.W, Locher, K, Walker, P.A, Collins, P.J, Kawaoka, Y, Skehel, J.J, Gamblin, S.J.
Deposit date:2013-03-29
Release date:2013-04-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Receptor Binding by a Ferret-Transmissible H5 Avian Influenza Virus.
Nature, 497, 2013
4BH2
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BU of 4bh2 by Molmil
Crystal Structure of the Haemagglutinin from a Transmissible Mutant H5 Influenza Virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEMAGGLUTININ, ...
Authors:Xiong, X, Coombs, P.J, Martin, S.R, Liu, J, Xiao, H, McCauley, J.W, Locher, K, Walker, P.A, Collins, P.J, Kawaoka, Y, Skehel, J.J, Gamblin, S.J.
Deposit date:2013-03-29
Release date:2013-04-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Receptor Binding by a Ferret-Transmissible H5 Avian Influenza Virus
Nature, 497, 2013
4BGX
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BU of 4bgx by Molmil
H5 (VN1194) Influenza Virus Haemagglutinin in Complex with Human Receptor Analogue 6'-SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEMAGGLUTININ, ...
Authors:Xiong, X, Coombs, P, Martin, S.R, Liu, J, Xiao, H, McCauley, J.W, Locher, K, Walker, P.A, Collins, P.J, Kawaoka, Y, Skehel, J.J, Gamblin, S.J.
Deposit date:2013-03-29
Release date:2013-04-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Receptor Binding by a Ferret-Transmissible H5 Avian Influenza Virus.
Nature, 497, 2013
3KC6
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BU of 3kc6 by Molmil
Crystal structure of the large c-terminal domain of polymerase basic protein 2 from influenza virus a/viet nam/1203/2004 (h5n1)
Descriptor: 1,2-ETHANEDIOL, Polymerase PB2
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-10-20
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Biological and structural characterization of a host-adapting amino acid in influenza virus.
Plos Pathog., 6, 2010
3KHW
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BU of 3khw by Molmil
Crystal structure of the large c-terminal domain of polymerase basic protein 2 from influenza virus a/mexico/indre4487/2009(h1n1)
Descriptor: GLYCEROL, Polymerase PB2
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-10-31
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biological and structural characterization of a host-adapting amino acid in influenza virus.
Plos Pathog., 6, 2010
3S88
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BU of 3s88 by Molmil
Crystal structure of Sudan Ebolavirus Glycoprotein (strain Gulu) bound to 16F6
Descriptor: 16F6 - Heavy chain, 16F6 - Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Saphire, E.O, Dias, J.M, Bale, S.
Deposit date:2011-05-27
Release date:2011-12-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.351 Å)
Cite:A shared structural solution for neutralizing ebolaviruses.
Nat.Struct.Mol.Biol., 18, 2011
4LDB
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BU of 4ldb by Molmil
Crystal Structure of Ebola Virus VP40 Dimer
Descriptor: Matrix protein VP40
Authors:Bornholdt, Z.A, Ableson, D.M, Saphire, E.O.
Deposit date:2013-06-24
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Rearrangement of Ebola Virus VP40 Begets Multiple Functions in the Virus Life Cycle.
Cell(Cambridge,Mass.), 154, 2013
4LD8
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BU of 4ld8 by Molmil
Crystal Structure of Dimeric Sudan Virus VP40
Descriptor: Matrix protein VP40
Authors:Bornholdt, Z.A, Ableson, D.M, Saphire, E.O.
Deposit date:2013-06-24
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural Rearrangement of Ebola Virus VP40 Begets Multiple Functions in the Virus Life Cycle.
Cell(Cambridge,Mass.), 154, 2013
3L56
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BU of 3l56 by Molmil
Crystal structure of the large c-terminal domain of polymerase basic protein 2 from influenza virus a/viet nam/1203/2004 (h5n1)
Descriptor: Polymerase PB2
Authors:Staker, B.L, Edwards, T, Eric, S, Raymond, A, Stewart, L, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-12-21
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Biological and structural characterization of a host-adapting amino acid in influenza virus.
Plos Pathog., 6, 2010
8DPR
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BU of 8dpr by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with inhibitor TKB-248
Descriptor: 2,2,2-trifluoro-N-{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamothioyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}acetamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ...
Authors:Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H.
Deposit date:2022-07-16
Release date:2022-08-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of SARS-CoV-2 M pro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2.
Nat Commun, 14, 2023
8DOX
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BU of 8dox by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-245
Descriptor: (1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H.
Deposit date:2022-07-14
Release date:2022-09-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Identification of SARS-CoV-2 M pro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2.
Nat Commun, 14, 2023
7SWD
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BU of 7swd by Molmil
Structure of EBOV GP lacking the mucin-like domain with 1C11 scFv and 1C3 Fab bound
Descriptor: 1C11 scFv, 1C3 heavy chain, 1C3 light chain, ...
Authors:Milligan, J.C, Yu, X, Saphire, E.O.
Deposit date:2021-11-19
Release date:2022-04-06
Last modified:2022-08-10
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Asymmetric and non-stoichiometric glycoprotein recognition by two distinct antibodies results in broad protection against ebolaviruses.
Cell, 185, 2022
8UH8
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BU of 8uh8 by Molmil
Crystal structure of SARS-CoV-2 main protease E166V (Apo structure)
Descriptor: ORF1a polyprotein
Authors:Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H.
Deposit date:2023-10-07
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir
To Be Published
8UH5
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BU of 8uh5 by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-272
Descriptor: (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER
Authors:Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H.
Deposit date:2023-10-06
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir
To Be Published
8UH9
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BU of 8uh9 by Molmil
Crystal structure of SARS-CoV-2 main protease E166V mutant in complex with an inhibitor TKB-272
Descriptor: (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER
Authors:Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H.
Deposit date:2023-10-07
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.067 Å)
Cite:TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir
To Be Published

 

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