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5M5B
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BU of 5m5b by Molmil
Crystal structure of Zika virus NS5 methyltransferase
Descriptor: CHLORIDE ION, GLYCEROL, NS5 methyltransferase, ...
Authors:Barral, K, Ortiz Lombardia, M, Coutard, B, Decroly, E, Lichiere, J.
Deposit date:2016-10-21
Release date:2016-12-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Zika Virus Methyltransferase: Structure and Functions for Drug Design Perspectives.
J. Virol., 91, 2017
4CTK
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BU of 4ctk by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT 2A4
Descriptor: DIMETHYL SULFOXIDE, POLYPROTEIN, S-ADENOSYLMETHIONINE, ...
Authors:Barral, K, Bricogne, G, Sharff, A.
Deposit date:2014-03-14
Release date:2014-04-16
Last modified:2017-03-29
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Assessment of Dengue Virus Helicase and Methyltransferase as Targets for Fragment-Based Drug Discovery.
Antiviral Res., 106, 2014
4CTJ
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BU of 4ctj by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT 3A9
Descriptor: 2,3-dihydro-1-benzofuran-5-carboxylic acid, NON-STRUCTURAL PROTEIN 5, S-ADENOSYLMETHIONINE, ...
Authors:Barral, K, Bricogne, G, Sharff, A.
Deposit date:2014-03-14
Release date:2014-04-16
Last modified:2014-05-28
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Assessment of Dengue Virus Helicase and Methyltransferase as Targets for Fragment-Based Drug Discovery.
Antiviral Res., 106, 2014
5EC8
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BU of 5ec8 by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND COMPOUND BF175
Descriptor: 2-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]-4-methyl-benzoic acid, Genome polyprotein, S-ADENOSYLMETHIONINE
Authors:Barral, K, Bricogne, G, Sharff, A.
Deposit date:2015-10-20
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.714 Å)
Cite:Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
5E9Q
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BU of 5e9q by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND MOLECULE BF174
Descriptor: 2-({[2-amino-4-(trifluoromethyl)phenyl]carbamoyl}amino)-4-methylbenzoic acid, Genome polyprotein, S-ADENOSYLMETHIONINE
Authors:Barral, K, Bricogne, G, Sharff, A.
Deposit date:2015-10-15
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
5EIF
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BU of 5eif by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT NB2C3
Descriptor: 2-azanyl-4-methyl-benzoic acid, Genome polyprotein, S-ADENOSYLMETHIONINE
Authors:Barral, K, Bricogne, G, Sharff, A.
Deposit date:2015-10-29
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
5EHG
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BU of 5ehg by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND MOLECULE BF341
Descriptor: 4-[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonyloxybenzoic acid, RNA-directed RNA polymerase NS5, S-ADENOSYLMETHIONINE
Authors:Barral, K, Bricogne, G, Sharff, A.
Deposit date:2015-10-28
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
5EKX
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BU of 5ekx by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYLMETHIONINE AND FRAGMENT NB2E11
Descriptor: 4-chloro-5-methylbenzene-1,2-diamine, NS5 METHYLTRANSFERASE, S-ADENOSYLMETHIONINE
Authors:Barral, K, Bricogne, G, Sharff, A.
Deposit date:2015-11-04
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
5EHI
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BU of 5ehi by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND MOLECULE BF287
Descriptor: 4-[[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonylamino]benzoic acid, NS5 methyltransferase dengue virus, S-ADENOSYLMETHIONINE
Authors:Barral, K, Bricogne, G, Sharff, A.
Deposit date:2015-10-28
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.303 Å)
Cite:Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
5EIW
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BU of 5eiw by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT NB3C2
Descriptor: 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE, NS5 methyltransferase, S-ADENOSYLMETHIONINE
Authors:Barral, K, Bricogne, G, Sharff, A.
Deposit date:2015-10-30
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.611 Å)
Cite:Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
8AAK
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BU of 8aak by Molmil
Crystal structure of the PDZ tandem of syntenin in complex with compound 29
Descriptor: (2~{S})-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]propanoic acid, GLYCEROL, Syntenin-1
Authors:Feracci, M, Barral, K.
Deposit date:2022-07-01
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.554 Å)
Cite:Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach.
J.Med.Chem., 66, 2023
8AAI
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BU of 8aai by Molmil
Crystal structure of the PDZ tandem of syntenin in complex with fragment E5
Descriptor: (2~{S})-2-[[(2~{S})-3-methyl-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)butanoyl]amino]propanoic acid, Syntenin-1
Authors:Feracci, M, Barral, K.
Deposit date:2022-07-01
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach.
J.Med.Chem., 66, 2023
8AAP
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BU of 8aap by Molmil
Crystal structure of the PDZ tandem of syntenin in complex with compound SYNTi
Descriptor: (2S)-2-[[(2S)-2-(6-bromanyl-3-oxidanylidene-1H-isoindol-2-yl)-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]propanoyl]amino]propanoic acid, Syntenin-1
Authors:Feracci, M, Barral, K.
Deposit date:2022-07-01
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.174 Å)
Cite:Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach.
J.Med.Chem., 66, 2023
8AAO
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BU of 8aao by Molmil
Crystal structure of the PDZ tandem of syntenin in complex with compound 95
Descriptor: (2~{S})-2-[[(2~{S})-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanoyl]amino]propanoic acid, Syntenin-1
Authors:Feracci, M, Barral, K.
Deposit date:2022-07-01
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.469 Å)
Cite:Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach.
J.Med.Chem., 66, 2023
6R9H
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BU of 6r9h by Molmil
Crystal structure of the PDZ tandem of syntenin in complex with fragment C58
Descriptor: (2~{S})-2-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-methyl-butanoic acid, ACETATE ION, PHOSPHATE ION, ...
Authors:Feracci, M, Barral, K.
Deposit date:2019-04-03
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Pharmacological inhibition of syntenin PDZ2 domain impairs breast cancer cell activities and exosome loadifing with syndecan and EpCAM cargo.
J Extracell Vesicles, 10, 2020
6RLC
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BU of 6rlc by Molmil
Crystal structure of the PDZ tandem of syntenin in complex with fragment F13
Descriptor: (2~{S})-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-butanoic acid, ACETATE ION, Syntenin-1
Authors:Feracci, M, Barral, K.
Deposit date:2019-05-02
Release date:2021-02-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Pharmacological inhibition of syntenin PDZ2 domain impairs breast cancer cell activities and exosome loadifing with syndecan and EpCAM cargo.
J Extracell Vesicles, 10, 2020

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PDB entries from 2024-03-27

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