Legacy flatfile-incompatible PDB entries

7HIO	Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188499-02 (CHIKV_MacB-x2344) Descriptor: 1-({5-[(4-iodophenyl)methyl]-1,2,4-oxadiazol-3-yl}methyl)pyridin-2(1H)-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... Authors: Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Almahli, H, Balcomb, B.H, Capkin, E, Chandran, A.V, Chen, W, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Saleem, R.S.Z, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Todd, M.H, Fearon, D, von Delft, F. Deposit date: 2024-10-04 Release date: 2024-10-16 Method: X-RAY DIFFRACTION (1.41 Å) Cite: Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center To Be Published
7HIP	Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188485-02(CHIKV_MacB-x2346) Descriptor: 1-({5-[(1R)-1-(4-bromophenyl)ethyl]-1,2,4-oxadiazol-3-yl}methyl)pyridin-2(1H)-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... Authors: Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Almahli, H, Balcomb, B.H, Capkin, E, Chandran, A.V, Chen, W, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Saleem, R.S.Z, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Todd, M.H, Fearon, D, von Delft, F. Deposit date: 2024-10-04 Release date: 2024-10-16 Method: X-RAY DIFFRACTION (1.41 Å) Cite: Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center To Be Published
7HIQ	Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188437-02 (CHIKV_MacB-x2350) Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Almahli, H, Balcomb, B.H, Capkin, E, Chandran, A.V, Chen, W, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Saleem, R.S.Z, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Todd, M.H, Fearon, D, von Delft, F. Deposit date: 2024-10-04 Release date: 2024-10-16 Method: X-RAY DIFFRACTION (1.52 Å) Cite: Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center To Be Published
7HIR	Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188468-02 (CHIKV_MacB-x2352) Descriptor: 5-({3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)pyridin-2-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Almahli, H, Balcomb, B.H, Capkin, E, Chandran, A.V, Chen, W, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Saleem, R.S.Z, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Todd, M.H, Fearon, D, von Delft, F. Deposit date: 2024-10-04 Release date: 2024-10-16 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center To Be Published
7HIS	Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188455-02 (CHIKV_MacB-x2364) Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Almahli, H, Balcomb, B.H, Capkin, E, Chandran, A.V, Chen, W, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Saleem, R.S.Z, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Todd, M.H, Fearon, D, von Delft, F. Deposit date: 2024-10-04 Release date: 2024-10-16 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center To Be Published
7HIT	Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188454-02 (CHIKV_MacB-x2370) Descriptor: 2-methyl-N-{[4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]methyl}-1H-pyrrole-3-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Almahli, H, Balcomb, B.H, Capkin, E, Chandran, A.V, Chen, W, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Saleem, R.S.Z, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Todd, M.H, Fearon, D, von Delft, F. Deposit date: 2024-10-04 Release date: 2024-10-16 Method: X-RAY DIFFRACTION (1.51 Å) Cite: Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center To Be Published
7HIU	Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188492-02 (CHIKV_MacB-x2399) Descriptor: 1-({5-[(1S)-1-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl}methyl)pyridin-2(1H)-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... Authors: Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Almahli, H, Balcomb, B.H, Capkin, E, Chandran, A.V, Chen, W, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Saleem, R.S.Z, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Todd, M.H, Fearon, D, von Delft, F. Deposit date: 2024-10-04 Release date: 2024-10-16 Method: X-RAY DIFFRACTION (1.44 Å) Cite: Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center To Be Published
7HIV	Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188495-02 (CHIKV_MacB-x2431) Descriptor: 1-({5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl}methyl)pyridin-2(1H)-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... Authors: Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Almahli, H, Balcomb, B.H, Capkin, E, Chandran, A.V, Chen, W, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Saleem, R.S.Z, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Todd, M.H, Fearon, D, von Delft, F. Deposit date: 2024-10-04 Release date: 2024-10-16 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center To Be Published
7HIW	Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188504-02 (CHIKV_MacB-x2437) Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Almahli, H, Balcomb, B.H, Capkin, E, Chandran, A.V, Chen, W, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Saleem, R.S.Z, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Todd, M.H, Fearon, D, von Delft, F. Deposit date: 2024-10-04 Release date: 2024-10-16 Method: X-RAY DIFFRACTION (1.41 Å) Cite: Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center To Be Published
7HIX	Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188504-02 (CHIKV_MacB-x2438) Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Almahli, H, Balcomb, B.H, Capkin, E, Chandran, A.V, Chen, W, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Saleem, R.S.Z, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Todd, M.H, Fearon, D, von Delft, F. Deposit date: 2024-10-04 Release date: 2024-10-16 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center To Be Published
7HJN	PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000077278 Descriptor: 2-(5-fluoro-1H-indol-3-yl)ethan-1-amine, De novo designed ABLE protein Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-10-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Fragment screen against ABLE To be published
7HJP	PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000037405164 Descriptor: (2-methylquinolin-4-yl)methanol, De novo designed ABLE protein Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-10-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Fragment screen against ABLE To be published
7HK0	PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000004774482 Descriptor: 6-bromanyl-1,3-benzothiazol-2-amine, De novo designed ABLE protein Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-10-08 Release date: 2025-08-20 Method: X-RAY DIFFRACTION (1.59 Å) Cite: Fragment screen against ABLE To be published
7HKB	Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z438067480 (DNV2_NS5A-x0135) Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... Authors: Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. Deposit date: 2024-10-15 Release date: 2024-10-30 Method: X-RAY DIFFRACTION (1.61 Å) Cite: Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 To Be Published
7HKC	Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z4628744292 (DNV2_NS5A-x0160) Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(4-methyl-1H-pyrazol-5-yl)pyridine, CHLORIDE ION, ... Authors: Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. Deposit date: 2024-10-15 Release date: 2024-10-30 Method: X-RAY DIFFRACTION (1.74 Å) Cite: Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 To Be Published
7HKF	Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z55669204 (DNV2_NS5A-x0191) Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(1H-pyrrol-1-yl)methyl]pyridine, DI(HYDROXYETHYL)ETHER, ... Authors: Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. Deposit date: 2024-10-15 Release date: 2024-10-30 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 To Be Published
7HKG	Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z56953052 (DNV2_NS5A-x0210) Descriptor: 1-(4-fluorobenzene-1-sulfonyl)piperazine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... Authors: Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. Deposit date: 2024-10-15 Release date: 2024-10-30 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 To Be Published
7HKK	Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z802824098 (DNV2_NS5A-x0279) Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-fluoro-N-(oxan-4-yl)pyridin-2-amine, DI(HYDROXYETHYL)ETHER, ... Authors: Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. Deposit date: 2024-10-15 Release date: 2024-10-30 Method: X-RAY DIFFRACTION (1.66 Å) Cite: Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 To Be Published
7HKP	Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z1198279205 (DNV2_NS5A-x0414) Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-fluoro-1H-pyrazole, DI(HYDROXYETHYL)ETHER, ... Authors: Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. Deposit date: 2024-10-15 Release date: 2024-10-30 Method: X-RAY DIFFRACTION (2.12 Å) Cite: Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 To Be Published
7HKQ	Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z1203329531 (DNV2_NS5A-x0428) Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... Authors: Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. Deposit date: 2024-10-15 Release date: 2024-10-30 Method: X-RAY DIFFRACTION (2.16 Å) Cite: Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 To Be Published
7HKR	Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z1262617180 (DNV2_NS5A-x0471) Descriptor: (5R,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... Authors: Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. Deposit date: 2024-10-15 Release date: 2024-10-30 Method: X-RAY DIFFRACTION (1.63 Å) Cite: Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 To Be Published
7HKW	Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z329734230 (DNV2_NS5A-x0789) Descriptor: (2M)-2-(3-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... Authors: Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. Deposit date: 2024-10-15 Release date: 2024-10-30 Method: X-RAY DIFFRACTION (1.73 Å) Cite: Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 To Be Published
7HKX	Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z3765495818 (DNV2_NS5A-x0825) Descriptor: (4R)-imidazo[1,2-b]pyridazine-3-sulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... Authors: Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. Deposit date: 2024-10-15 Release date: 2024-10-30 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 To Be Published
7HKZ	Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with POB0029 (DNV2_NS5A-x0851) Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... Authors: Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. Deposit date: 2024-10-15 Release date: 2024-10-30 Method: X-RAY DIFFRACTION (1.66 Å) Cite: Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 To Be Published
7HL4	Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with HL11 (DNV2_NS5A-x1094) Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-bromopyrimidine, DI(HYDROXYETHYL)ETHER, ... Authors: Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. Deposit date: 2024-10-15 Release date: 2024-10-30 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 To Be Published

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