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7I1L
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BU of 7i1l by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0000865-003-002
Descriptor: DIMETHYL SULFOXIDE, N-(5-amino-2-methylphenyl)-3-methylbenzamide, 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 (1.81 Å)
Cite:PanDDA analysis group deposition
To Be Published
7I22
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Amine4-Ac06
Descriptor: DIMETHYL SULFOXIDE, N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]-3-(piperidin-4-yl)propanamide, 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 (1.912 Å)
Cite:PanDDA analysis group deposition
To Be Published
7I1Q
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0011753-001-001
Descriptor: DIMETHYL SULFOXIDE, Serine protease NS3, Serine protease subunit NS2B, ...
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 (1.73 Å)
Cite:PanDDA analysis group deposition
To Be Published
7I1S
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0012445-001-001
Descriptor: DIMETHYL SULFOXIDE, N-(quinolin-8-yl)piperidine-4-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, 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 (1.86 Å)
Cite:PanDDA analysis group deposition
To Be Published
7I1O
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BU of 7i1o by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0011739-001-002
Descriptor: 8-chloroquinolin-4-amine, 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 (2.13 Å)
Cite:PanDDA analysis group deposition
To Be Published
7I1P
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BU of 7i1p by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0011741-001-001
Descriptor: 2-[(2,8-dimethylquinolin-4-yl)oxy]acetamide, 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 (1.99 Å)
Cite:PanDDA analysis group deposition
To Be Published
7I1V
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0012625-001-002
Descriptor: DIMETHYL SULFOXIDE, Serine protease NS3, Serine protease subunit NS2B, ...
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 (1.97 Å)
Cite:PanDDA analysis group deposition
To Be Published
7I1K
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0011172-001-002
Descriptor: 5-chloroquinolin-2-amine, 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, Phelps, J, Balaji, G, 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 (2.13 Å)
Cite:PanDDA analysis group deposition
To Be Published
7I1T
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BU of 7i1t by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0012466-002-003
Descriptor: DIMETHYL SULFOXIDE, N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]piperidine-4-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, 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 (1.86 Å)
Cite:PanDDA analysis group deposition
To Be Published
7I1Z
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BU of 7i1z by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with NegAcid1-Am02
Descriptor: DIMETHYL SULFOXIDE, Serine protease NS3, Serine protease subunit NS2B, ...
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 (1.72 Å)
Cite:PanDDA analysis group deposition
To Be Published
7I1Y
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BU of 7i1y by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with 3632-JP-070-004
Descriptor: (1s,3s)-3-amino-N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]cyclobutane-1-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, 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 (1.95 Å)
Cite:PanDDA analysis group deposition
To Be Published
7I1W
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BU of 7i1w by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with 3632-JP-070-010
Descriptor: (1r,4r)-4-amino-N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]cyclohexane-1-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, 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 (1.67 Å)
Cite:PanDDA analysis group deposition
To Be Published
7I1M
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BU of 7i1m by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0011177-001-002
Descriptor: 7,8-dichloro-2-methylquinolin-4-amine, 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 (2.013 Å)
Cite:PanDDA analysis group deposition
To Be Published
7I1N
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0011710-001-001
Descriptor: (5P)-8-methyl-5-(2-methyl-1H-imidazol-4-yl)quinoline, 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 (1.77 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HP3
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014790-001
Descriptor: DIMETHYL SULFOXIDE, N-[(8S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-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:2025-05-28
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HOY
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014767-001
Descriptor: 3-chloro-5-[(E)-({3-[(dimethylamino)methyl]-4-hydroxyphenyl}methylidene)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:2025-05-28
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:PanDDA analysis group deposition
To Be Published
7HOO
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014643-001
Descriptor: (2P)-2-(5-methoxypyridin-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:2025-05-28
Method:X-RAY DIFFRACTION (1.492 Å)
Cite:PanDDA analysis group deposition
To Be Published
7I9U
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Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029491-001
Descriptor: (2R)-2-(3-chloro-5-cyclopropylphenyl)-N-(2,2-difluoroethyl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]acetamide, 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:2025-04-10
Release date:2025-04-23
Method:X-RAY DIFFRACTION (2.159 Å)
Cite:Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium
To Be Published
7I9X
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Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029394-001
Descriptor: DIMETHYL SULFOXIDE, N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1H-1,2,3-benzotriazole-4-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:2025-04-10
Release date:2025-04-23
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium
To Be Published
7IA1
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Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029758-001
Descriptor: DIMETHYL SULFOXIDE, N-(2,3-dihydro-1H-isoindol-5-yl)-1H-pyrazolo[3,4-c]pyridine-4-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:2025-04-10
Release date:2025-04-23
Method:X-RAY DIFFRACTION (2.533 Å)
Cite:Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium
To Be Published
7IAO
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BU of 7iao by Molmil
Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029543-001
Descriptor: (2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-[(oxan-4-yl)methyl]acetamide, 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:2025-04-10
Release date:2025-04-23
Method:X-RAY DIFFRACTION (2.237 Å)
Cite:Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium
To Be Published
7I9P
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Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0027707-001
Descriptor: 3-(aminomethyl)-5-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]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:2025-04-10
Release date:2025-04-23
Method:X-RAY DIFFRACTION (1.538 Å)
Cite:Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium
To Be Published
7I9L
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Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0017692-001
Descriptor: DIMETHYL SULFOXIDE, SULFATE ION, 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:2025-04-10
Release date:2025-04-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium
To Be Published
7I9V
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Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029424-001
Descriptor: 6-chloro-N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-1H-indazole-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:2025-04-10
Release date:2025-04-23
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium
To Be Published
7IA6
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Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029835-001
Descriptor: 6-acetamido-N-(2,3-dihydro-1H-isoindol-5-yl)pyridine-2-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:2025-04-10
Release date:2025-04-23
Method:X-RAY DIFFRACTION (2.042 Å)
Cite:Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium
To Be Published

238582

数据于2025-07-09公开中

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