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PDB: 113 results

4LB4
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Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
Authors:Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
Deposit date:2013-06-20
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.8 Å)
Cite:Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
7HL2
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BU of 7hl2 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 Z3219959731 (DNV2_NS5A-x1046)
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 (1.84 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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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
7HKC
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BU of 7hkc 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 Z4628744292 (DNV2_NS5A-x0160)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(4-methyl-1H-pyrazol-5-yl)pyridine, 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
7HKY
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BU of 7hky 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 Z383325512 (DNV2_NS5A-x0829)
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 (1.67 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7HKH
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BU of 7hkh 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 Z68299550 (DNV2_NS5A-x0248)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide, 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 (1.75 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7HKM
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BU of 7hkm 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 Z851110644 (DNV2_NS5A-x0288)
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 (1.63 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7HKL
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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 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
7HKO
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BU of 7hko 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 Z106579662 (DNV2_NS5A-x0376)
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 (1.82 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
7HL0
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BU of 7hl0 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 NCL-00023818 (DNV2_NS5A-x0963)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-IODOPYRAZOLE, 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 (2.23 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7HKR
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BU of 7hkr 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 Z1262617180 (DNV2_NS5A-x0471)
Descriptor: (5R,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine, 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 (1.63 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7HKS
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BU of 7hks 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 Z198194394 (DNV2_NS5A-x0612)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(4-fluorophenyl)piperazine-1-carboxamide, 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 (1.56 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7HKI
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BU of 7hki 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 Z68639747 (DNV2_NS5A-x0250)
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 (1.75 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7HKJ
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BU of 7hkj 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 Z71580604 (DNV2_NS5A-x0254)
Descriptor: (2S)-N-(5-methylpyridin-2-yl)oxolane-2-carboxamide, 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 (1.72 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
7HKQ
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BU of 7hkq 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 Z1203329531 (DNV2_NS5A-x0428)
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 (2.16 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7HKP
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BU of 7hkp 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 Z1198279205 (DNV2_NS5A-x0414)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-fluoro-1H-pyrazole, 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 (2.12 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7HKD
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BU of 7hkd 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 Z53825479 (DNV2_NS5A-x0172)
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 (1.66 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
7HKE
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BU of 7hke 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 Z53860899 (DNV2_NS5A-x0174)
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 (1.64 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7HKN
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BU of 7hkn 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 Z952016136 (DNV2_NS5A-x0323)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-chloro-1H-benzimidazole, 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 (2.43 Å)
Cite:Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
7HKG
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BU of 7hkg 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 Z56953052 (DNV2_NS5A-x0210)
Descriptor: 1-(4-fluorobenzene-1-sulfonyl)piperazine, 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
7HKK
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BU of 7hkk 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 Z802824098 (DNV2_NS5A-x0279)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-fluoro-N-(oxan-4-yl)pyridin-2-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 (1.66 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

227111

数据于2024-11-06公开中

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