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7HPH
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BU of 7hph by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015442-001
Descriptor: 4-methoxy-2-(piperazin-1-yl)-6-{[2-(piperazin-1-yl)pyridin-4-yl]methyl}pyrimidine, DIMETHYL SULFOXIDE, Serine protease NS3, ...
Authors:Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F.
Deposit date:2024-11-07
Release date:2025-02-26
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (2.337 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HOZ
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BU of 7hoz by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014795-001
Descriptor: DIMETHYL SULFOXIDE, N-(1-methyl-1H-pyrazol-4-yl)quinoline-5-carboxamide, SULFATE ION, ...
Authors:Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F.
Deposit date:2024-11-07
Release date:2025-02-26
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HOV
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BU of 7hov by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014707-001
Descriptor: 3-chloro-5-[({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}methyl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F.
Deposit date:2024-11-07
Release date:2025-02-26
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HOT
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BU of 7hot by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014668-001
Descriptor: DIMETHYL SULFOXIDE, N-(3-methylpyridin-4-yl)-3-(1,3-thiazol-2-yl)benzamide, SULFATE ION, ...
Authors:Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F.
Deposit date:2024-11-07
Release date:2025-02-26
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HP0
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BU of 7hp0 by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014812-001
Descriptor: DIMETHYL SULFOXIDE, N-[2-(methanesulfonyl)-5-(piperazin-1-yl)phenyl]quinoline-5-carboxamide, Serine protease NS3, ...
Authors:Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F.
Deposit date:2024-11-07
Release date:2025-02-26
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HOS
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BU of 7hos by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014657-001
Descriptor: 5-cyclopropyl-1,2-dimethyl-N-(3-methylpyridin-4-yl)-1H-pyrrole-3-carboxamide, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F.
Deposit date:2024-11-07
Release date:2025-02-26
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HP5
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BU of 7hp5 by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014897-001
Descriptor: 4-methoxy-2-(piperazin-1-yl)-6-{[(pyrimidin-5-yl)oxy]methyl}pyrimidine, DIMETHYL SULFOXIDE, Serine protease NS3, ...
Authors:Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F.
Deposit date:2024-11-07
Release date:2025-02-26
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HP4
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BU of 7hp4 by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014856-001
Descriptor: (2M)-2-[6-(methylamino)pyridin-3-yl]-N-(1-methyl-1H-pyrazol-4-yl)benzamide, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F.
Deposit date:2024-11-07
Release date:2025-02-26
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HOJ
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BU of 7hoj by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1269184291
Descriptor: 3-bromanyl-1-methyl-pyridine, DIMETHYL SULFOXIDE, Serine protease NS3, ...
Authors:Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F.
Deposit date:2024-11-07
Release date:2025-02-26
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HOP
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BU of 7hop by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014657-001
Descriptor: 5-cyclopropyl-1,2-dimethyl-N-(3-methylpyridin-4-yl)-1H-pyrrole-3-carboxamide, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F.
Deposit date:2024-11-07
Release date:2025-02-26
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HPA
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BU of 7hpa by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015164-001
Descriptor: DIMETHYL SULFOXIDE, N-[(2S)-3-[4-(aminomethyl)phenyl]-1-oxo-1-(piperidin-1-yl)propan-2-yl]benzamide, SULFATE ION, ...
Authors:Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F.
Deposit date:2024-11-07
Release date:2025-02-26
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HPD
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BU of 7hpd by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015216-001
Descriptor: DIMETHYL SULFOXIDE, N-(5-carbamoyl-1H-pyrrol-3-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide, SULFATE ION, ...
Authors:Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F.
Deposit date:2024-11-07
Release date:2025-02-26
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (1.626 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HPC
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BU of 7hpc by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015093-001
Descriptor: 4-methyl-N-[(2-methyl-1H-imidazol-4-yl)methyl]-2-[(3S)-piperidin-3-yl]-1H-imidazole-5-carboxamide, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F.
Deposit date:2024-11-07
Release date:2025-02-26
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HPF
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BU of 7hpf by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015286-001
Descriptor: 4-methyl-2-[(3S)-piperidin-3-yl]-N-(pyridin-2-yl)-1H-imidazole-5-carboxamide, DIMETHYL SULFOXIDE, Serine protease NS3, ...
Authors:Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F.
Deposit date:2024-11-07
Release date:2025-02-26
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (1.953 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HPG
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BU of 7hpg by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015487-001
Descriptor: DIMETHYL SULFOXIDE, N-(3-methylpyridin-4-yl)-2-oxo-1-{[(3R)-pyrrolidin-3-yl]methyl}-1,2-dihydropyridine-3-carboxamide, SULFATE ION, ...
Authors:Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F.
Deposit date:2024-11-07
Release date:2025-02-26
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (1.664 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HOQ
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BU of 7hoq by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014708-001
Descriptor: (2M)-2-[2-(methoxymethyl)pyridin-4-yl]-N-(1-methyl-1H-pyrazol-4-yl)benzamide, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F.
Deposit date:2024-11-07
Release date:2025-02-26
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HP1
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BU of 7hp1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014738-001
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, N-(1-methyl-1H-pyrazol-4-yl)-2-(2-methylpyrimidin-5-yl)benzamide, ...
Authors:Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F.
Deposit date:2024-11-07
Release date:2025-02-26
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HOR
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BU of 7hor by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014712-001
Descriptor: (2P)-2-(2-methoxypyridin-4-yl)-N-(1-methyl-1H-pyrazol-4-yl)benzamide, DIMETHYL SULFOXIDE, Serine protease NS3, ...
Authors:Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F.
Deposit date:2024-11-07
Release date:2025-02-26
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HP2
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BU of 7hp2 by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014767-001
Descriptor: 3-chloro-5-[({3-[(dimethylamino)methyl]-4-hydroxyphenyl}methyl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F.
Deposit date:2024-11-07
Release date:2025-02-26
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HPB
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BU of 7hpb by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015080-001
Descriptor: DIMETHYL SULFOXIDE, N-{3-chloro-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl}-2-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide, Serine protease NS3, ...
Authors:Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F.
Deposit date:2024-11-07
Release date:2025-02-26
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (2.156 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HOL
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BU of 7hol by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1619958679
Descriptor: 3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide, DIMETHYL SULFOXIDE, Serine protease NS3, ...
Authors:Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F.
Deposit date:2024-11-07
Release date:2025-02-26
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HOK
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BU of 7hok by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1272480091
Descriptor: (2R)-2-(methoxymethyl)-4-(pyridin-2-yl)morpholine, DIMETHYL SULFOXIDE, Serine protease NS3, ...
Authors:Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F.
Deposit date:2024-11-07
Release date:2025-02-26
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (1.553 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HOW
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BU of 7how by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014812-001
Descriptor: DIMETHYL SULFOXIDE, N-[2-(methanesulfonyl)-5-(piperazin-1-yl)phenyl]quinoline-5-carboxamide, SULFATE ION, ...
Authors:Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F.
Deposit date:2024-11-07
Release date:2025-02-26
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:PanDDA analysis group deposition
To Be Published
7I20
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BU of 7i20 by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with NegAcid3-Am02
Descriptor: 1-[(3R)-3-aminopyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one, DIMETHYL SULFOXIDE, Serine protease NS3, ...
Authors:Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Balaji, G, Phelps, J, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F.
Deposit date:2025-02-20
Release date:2025-03-05
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:PanDDA analysis group deposition
To Be Published
7I21
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BU of 7i21 by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with NegAcid3-Am03
Descriptor: 1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Balaji, G, Phelps, J, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F.
Deposit date:2025-02-20
Release date:2025-03-05
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:PanDDA analysis group deposition
To Be Published

238582

数据于2025-07-09公开中

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