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PDB: 295 results
7I1V
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BU of 7i1v by Molmil
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
7I1N
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BU of 7i1n by Molmil
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
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
7I9U
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BU of 7i9u 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-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
7I9R
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BU of 7i9r 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-0029000-001
Descriptor: (2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-(propan-2-yl)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 (2.603 Å)
Cite:Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium
To Be Published
7I9T
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BU of 7i9t 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-0029045-001
Descriptor: 3-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)naphthalene-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, 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 (2.666 Å)
Cite:Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium
To Be Published
7I9S
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BU of 7i9s 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-0029002-001
Descriptor: 6-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)-1H-indole-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 (1.718 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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BU of 7i9p 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-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
7I9J
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BU of 7i9j 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-0016806-001
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 (1.739 Å)
Cite:Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium
To Be Published
7I9M
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BU of 7i9m 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-0017733-001
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, 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 (1.86 Å)
Cite:Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium
To Be Published
7I9O
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BU of 7i9o 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-0022538-001
Descriptor: DIMETHYL SULFOXIDE, N-[3-(aminomethyl)phenyl]-2-(propan-2-yl)-1H-1,3-benzimidazole-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 (1.961 Å)
Cite:Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium
To Be Published
7I9N
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BU of 7i9n 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-0022474-001
Descriptor: (4S)-N-[3-(aminomethyl)phenyl]-2-[(pyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine-8-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 (1.721 Å)
Cite:Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium
To Be Published
7I9Q
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BU of 7i9q 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-0028904-001
Descriptor: (2R)-(6-chloro-1H-indazol-4-yl)[(2,3-dihydro-1H-isoindol-5-yl)amino]acetonitrile, 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 (2.024 Å)
Cite:Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium
To Be Published
7I9W
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BU of 7i9w 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-0029497-001
Descriptor: DIMETHYL SULFOXIDE, N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1H-indazole-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
7I9K
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BU of 7i9k 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-0017670-001
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 (1.75 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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BU of 7i9l 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-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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BU of 7i9v 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-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
7HOO
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BU of 7hoo by Molmil
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
7HP3
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BU of 7hp3 by Molmil
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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BU of 7hoy by Molmil
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

236963

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