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PDB: 1702 results

7H9J
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BU of 7h9j by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z57376600 (CHIKV_MacB-x1454)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-bromo-6-methylpyridin-2-amine, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7GZ1
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BU of 7gz1 by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000061-001
Descriptor: 3-chloro-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridine-4-carboxamide, Non-structural protein 3
Authors:Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F.
Deposit date:2024-01-23
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.171 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
7GZE
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BU of 7gze by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000601-001
Descriptor: (3R)-3-(4-bromophenyl)-3-{[5-(dimethylamino)pyridine-2-carbonyl]amino}propanoic acid, Non-structural protein 3
Authors:Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F.
Deposit date:2024-01-23
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
7GZV
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BU of 7gzv by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0012336-001
Descriptor: 4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-[(3R)-1-methylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Papain-like protease nsp3
Authors:Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F.
Deposit date:2024-01-23
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
7H79
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BU of 7h79 by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z228586974 (CHIKV_MacB-x0585)
Descriptor: (3-fluorophenyl)(piperazin-1-yl)methanone, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H7U
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BU of 7h7u by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with POB0112 (CHIKV_MacB-x0997)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H83
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741982125 (CHIKV_MacB-x1118)
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, Non-structural protein 3, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H8H
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BU of 7h8h by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z89269461 (CHIKV_MacB-x1188)
Descriptor: (5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H1C
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Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0014597-001
Descriptor: 7-[(1S)-1-{[(5R,8S)-10-acetyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione, Papain-like protease nsp3
Authors:Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F.
Deposit date:2024-01-23
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
7H6O
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BU of 7h6o by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1102357527 (CHIKV_MacB-x0300)
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H8Z
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BU of 7h8z by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z104511114 (CHIKV_MacB-x1335)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(methylsulfanyl)aniline, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H9I
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BU of 7h9i by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z68590124 (CHIKV_MacB-x1445)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H7C
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BU of 7h7c by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z31504642 (CHIKV_MacB-x0692)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-methoxy-N-phenylacetamide, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H7O
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BU of 7h7o by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z952016136 (CHIKV_MacB-x0894)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-chloro-1H-benzimidazole, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H7X
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BU of 7h7x by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with NCL-00024672 (CHIKV_MacB-x1091)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H07
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BU of 7h07 by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0010744-001
Descriptor: N-[(1S,2S)-1-(4-methoxyphenyl)-2-(1H-tetrazol-5-yl)propyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide, Papain-like protease nsp3
Authors:Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F.
Deposit date:2024-01-23
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
7H6U
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BU of 7h6u by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1216833237 (CHIKV_MacB-x0353)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H8D
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BU of 7h8d by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z281773378 (CHIKV_MacB-x1175)
Descriptor: 4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H8S
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BU of 7h8s by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z104507896 (CHIKV_MacB-x1298)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAFFEINE, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H96
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BU of 7h96 by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z440625162 (CHIKV_MacB-x1379)
Descriptor: 2,3-dihydro-1,4-benzodioxin-5-ylmethanol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H7B
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BU of 7h7b by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z2692078340 (CHIKV_MacB-x0632)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H7N
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BU of 7h7n by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z915492990 (CHIKV_MacB-x0892)
Descriptor: 1-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H80
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BU of 7h80 by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z57127349 (CHIKV_MacB-x1112)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H8G
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BU of 7h8g by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z228586860 (CHIKV_MacB-x1185)
Descriptor: (2-fluorophenyl)(piperazin-1-yl)methanone, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7GZX
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Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011176-001
Descriptor: 7-[(1S)-2-methyl-1-{[(6M)-6-{5-[(methylamino)methyl]furan-3-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}propyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione, Papain-like protease nsp3
Authors:Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F.
Deposit date:2024-01-23
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published

227111

数据于2024-11-06公开中

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