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5JJR
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BU of 5jjr by Molmil
Dengue 3 NS5 protein with compound 29
Descriptor: 1,2-ETHANEDIOL, 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-N-[(quinolin-8-yl)sulfonyl]benzamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Lescar, J, El Sahili, A.
Deposit date:2016-04-25
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
5K5M
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BU of 5k5m by Molmil
Co-Crystal Structure of Dengue Virus Serotype 2 RNA Dependent RNA Polymerase with Compound 27
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-[(3-methoxyphenyl)sulfonyl]benzamide, RNA Dependent RNA Polymerase, ...
Authors:Arora, R, Benson, T.E.
Deposit date:2016-05-23
Release date:2016-08-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling.
Plos Pathog., 12, 2016
5JJS
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BU of 5jjs by Molmil
Dengue 3 NS5 protein with compound 27
Descriptor: 1,2-ETHANEDIOL, 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-{[(1R,3R)-3-methoxycyclohexyl]sulfonyl}benzamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Lescar, J, El Sahili, A.
Deposit date:2016-04-25
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
4R8R
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BU of 4r8r by Molmil
Dengue virus serotype 3 methyltransferase without a bound S-adenosyl methionine
Descriptor: nonstructural protein NS5
Authors:Noble, C.G.
Deposit date:2014-09-02
Release date:2014-10-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Crystal structure of dengue virus methyltransferase without S-adenosyl-L-methionine
Antiviral Res., 111C, 2014
4R8S
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BU of 4r8s by Molmil
Dengue serotype 3 methyltransferase bound to Sinefungin
Descriptor: SINEFUNGIN, nonstructural protein NS5
Authors:Noble, C.G.
Deposit date:2014-09-02
Release date:2014-10-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal structure of dengue virus methyltransferase without S-adenosyl-L-methionine
Antiviral Res., 111C, 2014
3U1J
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BU of 3u1j by Molmil
Aprotinin bound to Dengue virus protease
Descriptor: Pancreatic trypsin inhibitor, Serine protease NS3, Serine protease subunit NS2B
Authors:Noble, C.G.
Deposit date:2011-09-30
Release date:2011-11-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ligand-bound structures of the dengue virus protease reveal the active conformation
J.Virol., 86, 2012
3U1I
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BU of 3u1i by Molmil
Dengue virus protease covalently bound to a peptide
Descriptor: SULFATE ION, Serine protease NS3, Serine protease subunit NS2B, ...
Authors:Noble, C.G.
Deposit date:2011-09-29
Release date:2011-11-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Ligand-bound structures of the dengue virus protease reveal the active conformation
J.Virol., 86, 2012
4IKA
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BU of 4ika by Molmil
Crystal structure of EV71 3Dpol-VPg
Descriptor: 3Dpol, NICKEL (II) ION, VPg
Authors:Chen, C, Wang, Y.X, Lou, Z.Y.
Deposit date:2012-12-25
Release date:2013-09-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of enterovirus 71 RNA-dependent RNA polymerase complexed with its protein primer VPg: implication for a trans mechanism of VPg uridylylation
J.Virol., 87, 2013
3LKZ
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BU of 3lkz by Molmil
Structural and functional analyses of a conserved hydrophobic pocket of flavivirus methyltransferase
Descriptor: GLYCEROL, Non-structural protein 5, SINEFUNGIN
Authors:Liu, L.H, Li, H.M.
Deposit date:2010-01-28
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional analyses of a conserved hydrophobic pocket of flavivirus methyltransferase.
J.Biol.Chem., 285, 2010
7L7F
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BU of 7l7f by Molmil
Cryo-EM structure of human ACE2 receptor bound to protein encoded by vaccine candidate BNT162b1
Descriptor: Angiotensin-converting enzyme 2, Spike glycoprotein, Envelope glycoprotein fusion
Authors:Lees, J.A, Han, S.
Deposit date:2020-12-28
Release date:2021-02-24
Last modified:2021-04-21
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:BNT162b vaccines protect rhesus macaques from SARS-CoV-2.
Nature, 592, 2021
7L7D
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BU of 7l7d by Molmil
Crystal structure of SARS-CoV-2 spike RBD in complex with human monoclonal antibody AZD8895
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ...
Authors:Dong, J, Crowe, J.E.
Deposit date:2020-12-28
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Genetic and structural basis for SARS-CoV-2 variant neutralization by a two-antibody cocktail.
Nat Microbiol, 6, 2021
7L7E
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BU of 7l7e by Molmil
Crystal structure of SARS-CoV-2 spike RBD in complex with human monoclonal antibodies AZD8895 and AZD1061
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, Spike protein S1, ...
Authors:Dong, J, Crowe, J.E.
Deposit date:2020-12-28
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Genetic and structural basis for SARS-CoV-2 variant neutralization by a two-antibody cocktail.
Nat Microbiol, 6, 2021
7L7K
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BU of 7l7k by Molmil
Cryo-EM structure of protein encoded by vaccine candidate BNT162b2
Descriptor: Spike glycoprotein
Authors:Lees, J.A, Han, S.
Deposit date:2020-12-28
Release date:2021-02-24
Last modified:2021-04-21
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:BNT162b vaccines protect rhesus macaques from SARS-CoV-2.
Nature, 592, 2021
6C6K
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BU of 6c6k by Molmil
Structural basis for preferential recognition of cap 0 RNA by a human IFIT1-IFIT3 protein complex
Descriptor: Interferon-induced protein with tetratricopeptide repeats 1, Interferon-induced protein with tetratricopeptide repeats 3, MAGNESIUM ION, ...
Authors:Amarasinghe, G.K, Leung, D.W, Johnson, B, Xu, W.
Deposit date:2018-01-18
Release date:2018-04-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Human IFIT3 Modulates IFIT1 RNA Binding Specificity and Protein Stability.
Immunity, 48, 2018
5F3Z
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BU of 5f3z by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to PC-79-SH52
Descriptor: 2-(4-methoxy-3-thiophen-2-yl-phenyl)ethanoic acid, Genome polyprotein, ZINC ION
Authors:Noble, C.G.
Deposit date:2015-12-03
Release date:2016-02-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Conserved Pocket in the Dengue Virus Polymerase Identified through Fragment-based Screening
J.Biol.Chem., 291, 2016
5F41
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BU of 5f41 by Molmil
DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO FD-83-KI26
Descriptor: 2-(4-methoxy-3-thiophen-3-yl-phenyl)ethanoic acid, Genome polyprotein, ZINC ION
Authors:Noble, C.G.
Deposit date:2015-12-03
Release date:2016-02-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Conserved Pocket in the Dengue Virus Polymerase Identified through Fragment-based Screening
J.Biol.Chem., 291, 2016
5F3T
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BU of 5f3t by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to JF-31-MG46
Descriptor: 2-(4-methoxy-3-phenyl-phenyl)ethanoic acid, RNA-DEPENDENT RNA POLYMERASE, ZINC ION
Authors:Noble, C.G.
Deposit date:2015-12-03
Release date:2016-02-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A Conserved Pocket in the Dengue Virus Polymerase Identified through Fragment-based Screening.
J.Biol.Chem., 291, 2016
5HN0
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BU of 5hn0 by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 4
Descriptor: (6-hydroxybiphenyl-3-yl)acetic acid, RNA-directed RNA polymerase NS5, ZINC ION
Authors:Noble, C.G.
Deposit date:2016-01-17
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design.
J.Med.Chem., 59, 2016
8K6C
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BU of 8k6c by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K/S301P mutant
Descriptor: 3C-like proteinase nsp5
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K68
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BU of 8k68 by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K mutant
Descriptor: 3C-like proteinase nsp5
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K6D
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BU of 8k6d by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K/S301P mutant in complex with WU-04
Descriptor: 3C-like proteinase nsp5, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K6A
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BU of 8k6a by Molmil
Crystal structure of SARS-CoV-2 3CLpro S301P mutant
Descriptor: 3C-like proteinase nsp5
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K6B
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BU of 8k6b by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K/M165V mutant
Descriptor: 3C-like proteinase nsp5
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K67
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BU of 8k67 by Molmil
Crystal structure of SARS-CoV-2 3CLpro M165V mutant
Descriptor: 3C-like proteinase nsp5
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
7END
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BU of 7end by Molmil
Crystal structure of SARS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
Descriptor: Replicase polyprotein 1a, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023

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PDB entries from 2024-10-16

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