8R5J
 
 | | Crystal structure of MERS-CoV main protease | | Descriptor: | Non-structural protein 11 | | Authors: | Balcomb, B.H, Fairhead, M, Koekemoer, L, Lithgo, R.M, Aschenbrenner, J.C, Chandran, A.V, Godoy, A.S, Lukacik, P, Marples, P.G, Mazzorana, M, Ni, X, Strain-Damerell, C, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-11-16 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Crystal structure of MERS-CoV main protease
To Be Published
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8CO8
 | | Structure of West Nile Virus NS2B-NS3 protease | | Descriptor: | Serine protease subunit NS2B,Serine protease/Helicase NS3 | | Authors: | Fairhead, M, Godoy, A.S, Koekemoer, L, Balcomb, B.H, Lithgo, R.M, Aschenbrenner, J.C, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-02-27 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structure of West Nile Virus NS2B-NS3 protease - to be published
To Be Published
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8UM3
 | | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z203039992 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 6-chlorotetrazolo[1,5-b]pyridazine, ... | | Authors: | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-10-17 | | Release date: | 2023-11-01 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.925 Å) | | Cite: | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z203039992
To Be Published
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8V7R
 | | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z56772132 | | Descriptor: | (5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | Authors: | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-12-04 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z56772132
To Be Published
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8V7U
 | | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z729726784 | | Descriptor: | 1,2-ETHANEDIOL, 2-cyclopentyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide, DIMETHYL SULFOXIDE, ... | | Authors: | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-12-04 | | Release date: | 2023-12-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z729726784
To Be Published
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29JC
 | | Crystal structure of Coxsackievirus A16 (G-10) 2A protease determined via sulfur phasing | | Descriptor: | GLYCEROL, Genome polyprotein, ZINC ION | | Authors: | Cooper, M.R, Duman, R, Balcomb, B.H, Chinn, C.A, Ebrahim, A, Keates, T, Marples, P.G, Chandran, A.V, Wang, S, Williams, E, Koekemoer, L, Fairhead, M, Wagner, A, Shotton, E.J, Aschenbrenner, J.C, von Delft, F. | | Deposit date: | 2026-03-16 | | Release date: | 2026-03-25 | | Last modified: | 2026-04-22 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Crystal structure of Coxsackievirus A16 (G-10) 2A protease determined via sulfur phasing
To Be Published
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8POA
 | | Structure of Coxsackievirus A16 (G-10) 2A protease | | Descriptor: | GLYCEROL, Protease 2A, ZINC ION | | 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: | 2023-07-04 | | Release date: | 2023-08-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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8PN6
 | | Crystal Structure of co-expressed NS2B-NS3 Protease from Zika Virus | | Descriptor: | Genome polyprotein, Serine protease subunit NS2B | | Authors: | Ni, X, Fairhead, M, Balcomb, B.H, Aschenbrenner, J.C, Ferreira, L.M, Godoy, A.S, Lithgo, R.M, MacLean, E.M, Marples, P.G, Thompson, W, Tomlinson, C.W.E, Szommer, T, Wild, C, Wright, N.D, Koekemoer, L, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-06-29 | | Release date: | 2023-08-16 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Crystal Structure of co-expressed NS2B-NS3 Protease from Zika Virus
To Be Published
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9RM4
 | | Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015373 | | Descriptor: | SODIUM ION, Serine protease subunit NS2B,Serine protease NS3, ~{N}-[3-chloranyl-5-[(2-methyl-1-oxidanyl-propan-2-yl)carbamoyl]phenyl]-5-[(dimethylamino)methyl]-1~{H}-pyrrole-2-carboxamide | | 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, Fearon, D, von Delft, F. | | Deposit date: | 2025-06-17 | | Release date: | 2025-07-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015373
To Be Published
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9RM6
 | | Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0027808 | | Descriptor: | 6-chloranyl-~{N}-(2,3-dihydro-1~{H}-isoindol-5-yl)-1~{H}-indazole-4-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, Fearon, D, von Delft, F. | | Deposit date: | 2025-06-17 | | Release date: | 2025-07-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0027808
To Be Published
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9RM7
 | | Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0036543 | | Descriptor: | (2~{S})-~{N}-[2,2-bis(fluoranyl)ethyl]-2-(2,3-dihydro-1~{H}-isoindol-5-ylamino)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethanamide, DIMETHYL SULFOXIDE, Serine protease subunit NS2B,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, Fearon, D, von Delft, F. | | Deposit date: | 2025-06-17 | | Release date: | 2025-07-23 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0036543
To Be Published
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9FGO
 | | Crystal structure of Enterovirus 71 2A protease mutant C110A containing VP1-2A junction in the active site | | Descriptor: | CHLORIDE ION, Polyprotein, ZINC ION | | Authors: | Ni, X, Koekemoer, L, Williams, E.P, Wang, S, Wright, N.D, Godoy, A.S, Aschenbrenner, J.C, Balcomb, B.H, Lithgo, R.M, Marples, P.G, Fairhead, M, Thompson, W, Kirkegaard, K, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-05-24 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Crystal structure of Enterovirus 71 2A protease mutant C110A containing VP1-2A junction in the active site
To Be Published
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9FQ2
 | | Poliovirus 3C protease in H32 spacegroup | | Descriptor: | Protease 3C | | Authors: | Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | | Deposit date: | 2024-06-14 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Poliovirus 3C protease in H32 spacegroup
To Be Published
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9FWC
 | | Coxsackievirus B3 3C protease in C121 spacegroup | | Descriptor: | Genome polyprotein | | Authors: | Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | | Deposit date: | 2024-06-28 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Coxsackievirus B3 3C protease in C121 spacegroup
To Be Published
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9FS7
 | | Coxsackievirus A16 3C protease in C2 2 21 spacegroup | | Descriptor: | Genome polyprotein | | Authors: | Fairhead, M, Lithgo, R, MacLean, M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | | Deposit date: | 2024-06-20 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Coxsackievirus A16 3C protease in C2 2 21 spacegroup
To Be Published
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9FSB
 | | Coxsackievirus B3 3C protease in P121 spacegroup | | Descriptor: | Genome polyprotein | | Authors: | Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | | Deposit date: | 2024-06-20 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.592 Å) | | Cite: | Coxsackievirus B3 3C protease in P121 spacegroup
To Be Published
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13XX
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z1270393711 | | Descriptor: | 3Dpol RNA Dependent RNA Polymerase, 5-(methoxymethyl)-1,2-oxazole-3-carboxamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Biswas, I, Ruiz, F.X, Saini, M, Balcomb, B.H, von Delft, F, Arnold, E. | | Deposit date: | 2026-03-06 | | Release date: | 2026-03-18 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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13YO
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z19735981 | | Descriptor: | 2-phenoxy-1-(pyrrolidin-1-yl)ethan-1-one, 3Dpol RNA Dependent RNA Polymerase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Biswas, I, Ruiz, F.X, Saini, M, Balcomb, B.H, von Delft, F, Arnold, E. | | Deposit date: | 2026-03-06 | | Release date: | 2026-03-18 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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13ZD
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z30620520 | | Descriptor: | 3Dpol RNA Dependent RNA Polymerase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Biswas, I, Ruiz, F.X, Saini, M, Balcomb, B.H, von Delft, F, Arnold, E. | | Deposit date: | 2026-03-06 | | Release date: | 2026-03-18 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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13ZT
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z55222357 | | Descriptor: | 2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide, 3Dpol RNA Dependent RNA Polymerase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Biswas, I, Ruiz, F.X, Saini, M, Balcomb, B.H, von Delft, F, Arnold, E. | | Deposit date: | 2026-03-06 | | Release date: | 2026-03-18 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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13XM
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z1198177230 | | Descriptor: | (2M)-2-(2-methoxyphenyl)-1,3,4-oxadiazole, 3Dpol RNA Dependent RNA Polymerase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Biswas, I, Ruiz, F.X, Saini, M, Balcomb, B.H, von Delft, F, Arnold, E. | | Deposit date: | 2026-03-06 | | Release date: | 2026-03-18 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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13XS
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z1230130478 | | Descriptor: | 3Dpol RNA Dependent RNA Polymerase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Biswas, I, Ruiz, F.X, Saini, M, Balcomb, B.H, von Delft, F, Arnold, E. | | Deposit date: | 2026-03-06 | | Release date: | 2026-03-18 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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13XW
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z1265813904 | | Descriptor: | 3Dpol RNA Dependent RNA Polymerase, 7-fluoranyl-~{N},~{N}-dimethyl-1-benzofuran-2-carboxamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Biswas, I, Ruiz, F.X, Saini, M, Balcomb, B.H, von Delft, F, Arnold, E. | | Deposit date: | 2026-03-06 | | Release date: | 2026-03-18 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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13YA
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z1373445602 | | Descriptor: | 3Dpol RNA Dependent RNA Polymerase, 4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Biswas, I, Ruiz, F.X, Saini, M, Balcomb, B.H, von Delft, F, Arnold, E. | | Deposit date: | 2026-03-06 | | Release date: | 2026-03-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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13YD
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z1428159350 | | Descriptor: | (1R)-1-(1-phenyl-1H-1,2,3-triazol-4-yl)ethan-1-amine, 3Dpol RNA Dependent RNA Polymerase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Biswas, I, Ruiz, F.X, Saini, M, Balcomb, B.H, von Delft, F, Arnold, E. | | Deposit date: | 2026-03-06 | | Release date: | 2026-03-18 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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