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Legacy flatfile-incompatible PDB entries
7HZJ
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Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0025094-002 (A71EV2A-x1779)
Descriptor: 6-propanoyl-2H-1,4-benzoxazin-3(4H)-one, DIMETHYL SULFOXIDE, Protease 2A, ...
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Kenton, N, Tucker, J, DiPoto, M, Lee, A, Fearon, D, von Delft, F.
Deposit date:2025-01-14
Release date:2025-02-12
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre
To Be Published
7HZK
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Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0030249-001 (A71EV2A-x2293)
Descriptor: 1-methyl-N-{[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}-1H-indazole-3-carboxamide, DIMETHYL SULFOXIDE, Protease 2A, ...
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Kenton, N, Tucker, J, DiPoto, M, Lee, A, Fearon, D, von Delft, F.
Deposit date:2025-01-14
Release date:2025-02-12
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre
To Be Published
7HZL
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Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0030497-001 (A71EV2A-x2339)
Descriptor: DIMETHYL SULFOXIDE, N-cyclopropyl-5-fluoro-1-methyl-1H-indazole-3-carboxamide, Protease 2A, ...
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Kenton, N, Tucker, J, DiPoto, M, Lee, A, Fearon, D, von Delft, F.
Deposit date:2025-01-14
Release date:2025-02-12
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre
To Be Published
7HZM
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Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0030611-001 (A71EV2A-x2351)
Descriptor: 5-fluoro-1-methyl-1H-indazole-3-carboxamide, DIMETHYL SULFOXIDE, Protease 2A, ...
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Kenton, N, Tucker, J, DiPoto, M, Lee, A, Fearon, D, von Delft, F.
Deposit date:2025-01-14
Release date:2025-02-12
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre
To Be Published
7HZO
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Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0030968-001 (A71EV2A-x2513)
Descriptor: 7-chloro-4-methoxy-1H-indole-2,3-dione, DIMETHYL SULFOXIDE, Protease 2A, ...
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Kenton, N, Tucker, J, DiPoto, M, Lee, A, Fearon, D, von Delft, F.
Deposit date:2025-01-14
Release date:2025-02-12
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre
To Be Published
7HZP
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Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0031281-001 (A71EV2A-x2846)
Descriptor: 1-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]-1H-indazole-3-carboxamide, DIMETHYL SULFOXIDE, Protease 2A, ...
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Kenton, N, Tucker, J, DiPoto, M, Lee, A, Fearon, D, von Delft, F.
Deposit date:2025-01-14
Release date:2025-02-12
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre
To Be Published
7HZQ
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Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0031746-001 (A71EV2A-x3186)
Descriptor: (3S)-1-[(2-methoxyphenyl)acetyl]piperidine-3-carboxamide, Protease 2A, ZINC ION
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Kenton, N, Tucker, J, DiPoto, M, Lee, A, Fearon, D, von Delft, F.
Deposit date:2025-01-14
Release date:2025-02-12
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre
To Be Published
7HZR
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Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0031943-001 (A71EV2A-x3222)
Descriptor: (3S)-1-(4-bromo-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide, DIMETHYL SULFOXIDE, Protease 2A, ...
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Kenton, N, Tucker, J, DiPoto, M, Lee, A, Fearon, D, von Delft, F.
Deposit date:2025-01-14
Release date:2025-02-12
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre
To Be Published
7HZS
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Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0031972-001 (A71EV2A-x3223)
Descriptor: (3S)-1-(1H-pyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-3-carboxamide, DIMETHYL SULFOXIDE, Protease 2A, ...
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Kenton, N, Tucker, J, DiPoto, M, Lee, A, Fearon, D, von Delft, F.
Deposit date:2025-01-14
Release date:2025-02-12
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre
To Be Published
7HZT
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Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0032043-001 (A71EV2A-x3234)
Descriptor: 1-(oxetan-3-yl)-N-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine, DIMETHYL SULFOXIDE, Protease 2A, ...
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Kenton, N, Tucker, J, DiPoto, M, Lee, A, Fearon, D, von Delft, F.
Deposit date:2025-01-14
Release date:2025-02-12
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre
To Be Published
7HZU
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Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0032058-001 (A71EV2A-x3280)
Descriptor: DIMETHYL SULFOXIDE, N-[2,2-difluoro-2-(pyridin-2-yl)ethyl]-1-methyl-1H-indazole-3-carboxamide, Protease 2A, ...
Authors:Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Kenton, N, Tucker, J, DiPoto, M, Lee, A, Fearon, D, von Delft, F.
Deposit date:2025-01-14
Release date:2025-02-12
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre
To Be Published
7I13
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PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment B05 from the F2X-Entry Screen in orthorhombic space group
Descriptor: 2-acetylbenzoic acid, 3C-like proteinase nsp5, CHLORIDE ION, ...
Authors:Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
Deposit date:2025-02-03
Release date:2025-05-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I19
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BU of 7i19 by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment D08 from the F2X-Entry Screen in orthorhombic space group
Descriptor: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
Deposit date:2025-02-03
Release date:2025-05-21
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I1H
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BU of 7i1h by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment G10 from the F2X-Entry Screen in orthorhombic space group
Descriptor: 1-phenyl-1H-tetrazole, 3C-like proteinase nsp5, CHLORIDE ION, ...
Authors:Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
Deposit date:2025-02-03
Release date:2025-05-21
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I1K
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BU of 7i1k by Molmil
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
7I1L
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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
7I1M
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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
7I1O
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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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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
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
7I1T
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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
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
7I1W
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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

238582

PDB entries from 2025-07-09

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