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PDB: 62 results
7HKL
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BU of 7hkl by Molmil
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z818928496 (DNV2_NS5A-x0283)
Descriptor: 1-cyclohexyl-N-methylmethanesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E.
Deposit date:2024-10-15
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7HKT
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BU of 7hkt by Molmil
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z1983897532 (DNV2_NS5A-x0615)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine, DI(HYDROXYETHYL)ETHER, ...
Authors:Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E.
Deposit date:2024-10-15
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7HL6
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Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z31113727 (DNV2_NS5A-x1192)
Descriptor: 1-(pyridin-2-yl)piperidin-4-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E.
Deposit date:2024-10-15
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7HL7
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BU of 7hl7 by Molmil
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z48978335 (DNV2_NS5A-x1196)
Descriptor: 1'H-spiro[cyclopentane-1,2'-quinazolin]-4'(3'H)-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E.
Deposit date:2024-10-15
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7HKF
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BU of 7hkf by Molmil
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z55669204 (DNV2_NS5A-x0191)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(1H-pyrrol-1-yl)methyl]pyridine, DI(HYDROXYETHYL)ETHER, ...
Authors:Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E.
Deposit date:2024-10-15
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7HKW
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BU of 7hkw by Molmil
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z329734230 (DNV2_NS5A-x0789)
Descriptor: (2M)-2-(3-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E.
Deposit date:2024-10-15
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7HKB
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Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z438067480 (DNV2_NS5A-x0135)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E.
Deposit date:2024-10-15
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7HL9
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BU of 7hl9 by Molmil
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z53833304 (DNV2_NS5A-x1217)
Descriptor: 1-ethyl-1H-benzimidazole, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E.
Deposit date:2024-10-15
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7HKU
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BU of 7hku by Molmil
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z291279160 (DNV2_NS5A-x0741)
Descriptor: 1-[2-(trifluoromethyloxy)phenyl]thiourea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E.
Deposit date:2024-10-15
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7HL8
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BU of 7hl8 by Molmil
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z57157143 (DNV2_NS5A-x1212)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E.
Deposit date:2024-10-15
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7I2X
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BU of 7i2x by Molmil
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- PanDDA analysis group deposition of ground-state model
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Aschenbrenner, J.C, Saini, M, Chopra, A, Marples, P.G, Balcomb, B.H, Lithgo, R.M, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E.
Deposit date:2025-03-06
Release date:2025-04-02
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7I2I
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BU of 7i2i by Molmil
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z1262628644 (DNV2_NS5A-x0472)
Descriptor: 2-(1H-pyrrol-1-yl)pyridin-3-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Saini, M, Chopra, A, Marples, P.G, Balcomb, B.H, Lithgo, R.M, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E.
Deposit date:2025-03-06
Release date:2025-04-02
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7I28
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BU of 7i28 by Molmil
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z45527714 (DNV2_NS5A-x0153)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-N-methylbenzene-1-sulfonamide, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Saini, M, Chopra, A, Marples, P.G, Balcomb, B.H, Lithgo, R.M, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E.
Deposit date:2025-03-06
Release date:2025-04-02
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7I2D
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BU of 7i2d by Molmil
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z729352906 (DNV2_NS5A-x0258)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione, DI(HYDROXYETHYL)ETHER, ...
Authors:Aschenbrenner, J.C, Saini, M, Chopra, A, Marples, P.G, Balcomb, B.H, Lithgo, R.M, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E.
Deposit date:2025-03-06
Release date:2025-04-02
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7I2A
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BU of 7i2a by Molmil
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z54226095 (DNV2_NS5A-x0176)
Descriptor: (azepan-1-yl)(2,6-difluorophenyl)methanone, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Saini, M, Chopra, A, Marples, P.G, Balcomb, B.H, Lithgo, R.M, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E.
Deposit date:2025-03-06
Release date:2025-04-02
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7I2E
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BU of 7i2e by Molmil
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z740611958 (DNV2_NS5A-x0264)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Aschenbrenner, J.C, Saini, M, Chopra, A, Marples, P.G, Balcomb, B.H, Lithgo, R.M, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E.
Deposit date:2025-03-06
Release date:2025-04-02
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7I29
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BU of 7i29 by Molmil
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z48847594 (DNV2_NS5A-x0162)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Aschenbrenner, J.C, Saini, M, Chopra, A, Marples, P.G, Balcomb, B.H, Lithgo, R.M, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E.
Deposit date:2025-03-06
Release date:2025-04-02
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7I2C
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BU of 7i2c by Molmil
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z71308235 (DNV2_NS5A-x0253)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-fluoro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Saini, M, Chopra, A, Marples, P.G, Balcomb, B.H, Lithgo, R.M, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E.
Deposit date:2025-03-06
Release date:2025-04-02
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7I2J
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BU of 7i2j by Molmil
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z1269139261 (DNV2_NS5A-x0479)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Saini, M, Chopra, A, Marples, P.G, Balcomb, B.H, Lithgo, R.M, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E.
Deposit date:2025-03-06
Release date:2025-04-02
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7I2F
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BU of 7i2f by Molmil
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z1079168976 (DNV2_NS5A-x0378)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Aschenbrenner, J.C, Saini, M, Chopra, A, Marples, P.G, Balcomb, B.H, Lithgo, R.M, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E.
Deposit date:2025-03-06
Release date:2025-04-02
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7I2K
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BU of 7i2k by Molmil
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z1343518214 (DNV2_NS5A-x0503)
Descriptor: 1-(3-methoxyazetidine-1-sulfonyl)pyrrolidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Saini, M, Chopra, A, Marples, P.G, Balcomb, B.H, Lithgo, R.M, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E.
Deposit date:2025-03-06
Release date:2025-04-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7I2B
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BU of 7i2b by Molmil
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z68404778 (DNV2_NS5A-x0249)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Aschenbrenner, J.C, Saini, M, Chopra, A, Marples, P.G, Balcomb, B.H, Lithgo, R.M, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E.
Deposit date:2025-03-06
Release date:2025-04-02
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7I2L
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BU of 7i2l by Molmil
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z1627772104 (DNV2_NS5A-x0566)
Descriptor: (3S)-3-(2-fluoro-3-methylphenoxy)-1-methylpyrrolidin-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Saini, M, Chopra, A, Marples, P.G, Balcomb, B.H, Lithgo, R.M, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E.
Deposit date:2025-03-06
Release date:2025-04-02
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7I2G
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Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z1079512010 (DNV2_NS5A-x0379)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Saini, M, Chopra, A, Marples, P.G, Balcomb, B.H, Lithgo, R.M, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E.
Deposit date:2025-03-06
Release date:2025-04-02
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7I2H
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BU of 7i2h by Molmil
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z1198177230 (DNV2_NS5A-x0411)
Descriptor: (2M)-2-(2-methoxyphenyl)-1,3,4-oxadiazole, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Saini, M, Chopra, A, Marples, P.G, Balcomb, B.H, Lithgo, R.M, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E.
Deposit date:2025-03-06
Release date:2025-04-02
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published

236620

PDB entries from 2025-05-28

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