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7GQ2
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BU of 7gq2 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1954800348
Descriptor: 1,4,5,6-tetrahydropyrimidin-2-amine, DIMETHYL SULFOXIDE, Protease 3C
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2023-08-24
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:PanDDA analysis group deposition
To Be Published
7GP0
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z385450668
Descriptor: 2-(difluoromethoxy)benzene-1-sulfonamide, Protease 3C
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2023-08-24
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:PanDDA analysis group deposition
To Be Published
7GQ3
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z241119328
Descriptor: 1H-pyrazol-5-amine, DIMETHYL SULFOXIDE, Protease 3C
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2023-08-24
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:PanDDA analysis group deposition
To Be Published
7GPM
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z979742720
Descriptor: 5-(propan-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole, DIMETHYL SULFOXIDE, Protease 3C
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2023-08-24
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:PanDDA analysis group deposition
To Be Published
7GQ6
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z425338146
Descriptor: 1-[4-(methylsulfonyl)phenyl]piperazine, DIMETHYL SULFOXIDE, Protease 3C
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2023-08-24
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:PanDDA analysis group deposition
To Be Published
7GQL
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z53833304
Descriptor: 1-ethyl-1H-benzimidazole, Protease 3C
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2023-08-24
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:PanDDA analysis group deposition
To Be Published
7GQ0
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with NCL-00025345
Descriptor: 2-acetamido-N-(3-bromanylprop-2-ynyl)ethanamide, Protease 3C
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2023-08-24
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:PanDDA analysis group deposition
To Be Published
7GQK
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z635046794
Descriptor: DIMETHYL SULFOXIDE, Protease 3C, [4-(hydroxymethyl)piperidin-1-yl](phenyl)methanone
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2023-08-24
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:PanDDA analysis group deposition
To Be Published
7GQB
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z44548882
Descriptor: 1,1-diphenylmethanamine, DIMETHYL SULFOXIDE, Protease 3C
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2023-08-24
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:PanDDA analysis group deposition
To Be Published
7GQN
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1201621250
Descriptor: 5-iodo-1H-imidazole, Protease 3C
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2023-08-24
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:PanDDA analysis group deposition
To Be Published
7GQR
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z235343929
Descriptor: 2-chloro-1,3-benzoxazole, Protease 3C
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2023-08-24
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:PanDDA analysis group deposition
To Be Published
7GP8
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z53825177
Descriptor: DIMETHYL SULFOXIDE, N-(2-fluorophenyl)ethanesulfonamide, Protease 3C
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2023-08-24
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:PanDDA analysis group deposition
To Be Published
7GPD
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z57472297
Descriptor: 1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea, Protease 3C
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2023-08-24
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:PanDDA analysis group deposition
To Be Published
7GPO
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with POB0066
Descriptor: (3R,4S)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid, Protease 3C
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2023-08-24
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:PanDDA analysis group deposition
To Be Published
7GQP
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1198152494
Descriptor: 1H-imidazole-5-carbonitrile, Protease 3C
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2023-08-24
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:PanDDA analysis group deposition
To Be Published
7GZ7
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Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000131-001
Descriptor: 3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1H-indole-2-carboxylic 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 (1.293 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
7H1U
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z212053854
Descriptor: 1,2,3,4-tetrahydro-1,5-naphthyridine, DIMETHYL SULFOXIDE, Serine protease NS3, ...
Authors:Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2024-04-03
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
7H29
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1269184613
Descriptor: 1,3-benzothiazole-6-sulfonamide, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2024-04-03
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
7H1H
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1201620232
Descriptor: 5-methoxy-1,3-benzothiazol-2-amine, DIMETHYL SULFOXIDE, Serine protease NS3, ...
Authors:Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2024-04-03
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.684 Å)
Cite:PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
7H2Q
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z270760338
Descriptor: DIMETHYL SULFOXIDE, N,N-dimethylpiperazine-1-carboxamide, Serine protease NS3, ...
Authors:Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2024-04-03
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.526 Å)
Cite:PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
7H1X
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z53833304
Descriptor: 1-ethyl-1H-benzimidazole, DIMETHYL SULFOXIDE, Serine protease NS3, ...
Authors:Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2024-04-03
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.398 Å)
Cite:PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
7H1N
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with POB0120
Descriptor: (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one, (2S)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one, DIMETHYL SULFOXIDE, ...
Authors:Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2024-04-03
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.407 Å)
Cite:PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
7H1O
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BU of 7h1o by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1962142017
Descriptor: 1,3-oxazol-4-ylmethanamine, DIMETHYL SULFOXIDE, Serine protease NS3, ...
Authors:Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2024-04-03
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
7H2A
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1269220427
Descriptor: 8-(methanesulfonyl)quinoline, DIMETHYL SULFOXIDE, Serine protease NS3, ...
Authors:Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2024-04-03
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.709 Å)
Cite:PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
7H1Z
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1198149728
Descriptor: 4-ethenyl-1H-imidazole, DIMETHYL SULFOXIDE, Serine protease NS3, ...
Authors:Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2024-04-03
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published

222036

數據於2024-07-03公開中

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