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7GQR	PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z235343929 Descriptor: 2-chloro-1,3-benzoxazole, Protease 3C 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: 2023-08-24 Release date: 2023-11-29 Method: X-RAY DIFFRACTION (1.35 Å) Cite: PanDDA analysis group deposition To Be Published
7GQO	PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z3227118860 Descriptor: 5-iodo-1H-pyrazole, Protease 3C 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: 2023-08-24 Release date: 2023-11-29 Method: X-RAY DIFFRACTION (1.58 Å) Cite: PanDDA analysis group deposition To Be Published
7GP8	PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z53825177 Descriptor: DIMETHYL SULFOXIDE, N-(2-fluorophenyl)ethanesulfonamide, Protease 3C 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: 2023-08-24 Release date: 2023-11-29 Method: X-RAY DIFFRACTION (1.35 Å) Cite: PanDDA analysis group deposition To Be Published
7GO4	PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1198233191 Descriptor: (4S)-imidazo[1,2-a]pyrimidine-5,7-diol, Protease 3C 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: 2023-08-24 Release date: 2023-11-29 Method: X-RAY DIFFRACTION (1.49 Å) Cite: PanDDA analysis group deposition To Be Published
7GPD	PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z57472297 Descriptor: 1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea, Protease 3C 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: 2023-08-24 Release date: 2023-11-29 Method: X-RAY DIFFRACTION (1.4 Å) Cite: PanDDA analysis group deposition To Be Published
7GOO	PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1980894300 Descriptor: Protease 3C, [4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanol 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: 2023-08-24 Release date: 2023-11-29 Method: X-RAY DIFFRACTION (1.45 Å) Cite: PanDDA analysis group deposition To Be Published
7GPO	PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with POB0066 Descriptor: (3R,4S)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid, Protease 3C 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: 2023-08-24 Release date: 2023-11-29 Method: X-RAY DIFFRACTION (1.48 Å) Cite: PanDDA analysis group deposition To Be Published
7GPU	PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with POB0122 Descriptor: 1-[(3R,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethan-1-one, DIMETHYL SULFOXIDE, Protease 3C 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: 2023-08-24 Release date: 2023-11-29 Method: X-RAY DIFFRACTION (1.42 Å) Cite: PanDDA analysis group deposition To Be Published
7GQP	PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1198152494 Descriptor: 1H-imidazole-5-carbonitrile, Protease 3C 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: 2023-08-24 Release date: 2023-11-29 Method: X-RAY DIFFRACTION (1.7 Å) Cite: PanDDA analysis group deposition To Be Published
7GQF	PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z362020366 Descriptor: DIMETHYL SULFOXIDE, Protease 3C, [1,2,4]triazolo[4,3-a]pyridin-3-amine 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: 2023-08-24 Release date: 2023-11-29 Method: X-RAY DIFFRACTION (1.34 Å) Cite: PanDDA analysis group deposition To Be Published
7FHJ	Crystal structure of BAZ2A with DNA Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, DNA (5'-D(*CP*GP*GP*AP*AP*TP*GP*TP*AP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*TP*AP*(5CM)P*AP*TP*TP*CP*CP*G)-3'), ... Authors: Liu, K, Dong, A, Li, Y, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC) Deposit date: 2021-07-29 Release date: 2021-12-29 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.28 Å) Cite: Structural basis of the TAM domain of BAZ2A in binding to DNA or RNA independent of methylation status. J.Biol.Chem., 297, 2021
7F8G	Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine phosphatase Descriptor: 3-phenoxy-~{N}-[(~{E})-(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide, Eyes absent homolog 2 Authors: Anantharajan, J, Baburajendran, N. Deposit date: 2021-07-02 Release date: 2021-12-29 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (3.491 Å) Cite: Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine phosphatase. Protein Sci., 31, 2022
7F2S	Crystal structure of anti S-gatifloxacin antibody Fab fragment apo form Descriptor: 1,2-ETHANEDIOL, Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, ... Authors: Wang, L.T, Jiao, W.Y, Shen, X, Lei, H.T. Deposit date: 2021-06-14 Release date: 2021-12-29 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.62 Å) Cite: Conformational adaptability determining antibody recognition to distomer: structure analysis of enantioselective antibody against chiral drug gatifloxacin Rsc Adv, 11, 2021
7F35	Crystal structure of anti S-gatifloxacin antibody Fab fragment in complex with S-gatifloxacin Descriptor: 1,2-ETHANEDIOL, 1-cyclopropyl-6-fluoro-8-methoxy-7-[(3S)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Antibody Fab fragment heavy chain, ... Authors: Wang, L.T, Jiao, W.Y, Shen, X, Lei, H.T. Deposit date: 2021-06-15 Release date: 2021-12-29 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Conformational adaptability determining antibody recognition to distomer: structure analysis of enantioselective antibody against chiral drug gatifloxacin Rsc Adv, 11, 2021
7FB7	Crystal structure of human UHRF1 TTD in complex with 5-amino-2,4-dimethylpyridine Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-amino-2,4-dimethylpyridine, DIMETHYL SULFOXIDE, ... Authors: Kori, S, Arita, K, Yoshimi, S. Deposit date: 2021-07-08 Release date: 2022-01-05 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Structure-based screening combined with computational and biochemical analyses identified the inhibitor targeting the binding of DNA Ligase 1 to UHRF1. Bioorg.Med.Chem., 52, 2021
7F2D	Arabidopsis thaliana protease-associated domain of vacuolar-sorting receptor 1 in complex with cruciferin 1 C-terminal pentapeptide RVAAA (pH9) Descriptor: Cruciferin 1 C-terminal peptide, Vacuolar-sorting receptor 1 Authors: Lui, S.N, Wong, K.B. Deposit date: 2021-06-10 Release date: 2022-01-12 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Structural insights into how vacuolar sorting receptors recognize the sorting determinants of seed storage proteins. Proc.Natl.Acad.Sci.USA, 119, 2022
7F8B	Crystal structure of rRNA methyltransferase Erm38 in complex with SAM Descriptor: Erm(38), S-ADENOSYLMETHIONINE, SUCCINIC ACID Authors: Goh, B.C, Lescar, J. Deposit date: 2021-07-01 Release date: 2022-01-12 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.248 Å) Cite: Crystal structure and functional analysis of mycobacterial erythromycin resistance methyltransferase Erm38 reveals its RNA-binding site. J.Biol.Chem., 298, 2022
7F2I	Arabidopsis thaliana protease-associated domain of vacuolar-sorting receptor 1 in complex with cruciferin 1 C-terminal pentapeptide RVAAA (pH6.5) Descriptor: Cruciferin 1 C-terminal peptide, Vacuolar-sorting receptor 1 Authors: Lui, S.N, Wong, K.B. Deposit date: 2021-06-11 Release date: 2022-01-12 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Structural insights into how vacuolar sorting receptors recognize the sorting determinants of seed storage proteins. Proc.Natl.Acad.Sci.USA, 119, 2022
7F8A	Crystal structure of rRNA methyltransferase Erm38 Descriptor: Erm(38) Authors: Goh, B.C, Lescar, J. Deposit date: 2021-07-01 Release date: 2022-01-12 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal structure and functional analysis of mycobacterial erythromycin resistance methyltransferase Erm38 reveals its RNA-binding site. J.Biol.Chem., 298, 2022
7F8C	Crystal structure of rRNA methyltransferase Erm38 in complex with sinefungin Descriptor: Erm(38), SINEFUNGIN, SUCCINIC ACID Authors: Goh, B.C, Lescar, J. Deposit date: 2021-07-01 Release date: 2022-01-12 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.248 Å) Cite: Crystal structure and functional analysis of mycobacterial erythromycin resistance methyltransferase Erm38 reveals its RNA-binding site. J.Biol.Chem., 298, 2022
7FFG	Diarylpentanoid-producing polyketide synthase (N199F mutant) Descriptor: Type III polyketide synthase Authors: Morita, H, Wong, C.P, Liu, Q, Kodama, T, Lee, Y, Nakashima, Y. Deposit date: 2021-07-23 Release date: 2022-01-19 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Identification of a diarylpentanoid-producing polyketide synthase revealing an unusual biosynthetic pathway of 2-(2-phenylethyl)chromones in agarwood. Nat Commun, 13, 2022
7FFA	Diarylpentanoid-producing polyketide synthase from Aquilaria sinensis Descriptor: Type III polyketide synthase Authors: Morita, H, Wong, C.P, Liu, Q, Kodama, T, Lee, Y, Nakashima, Y. Deposit date: 2021-07-23 Release date: 2022-01-19 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Identification of a diarylpentanoid-producing polyketide synthase revealing an unusual biosynthetic pathway of 2-(2-phenylethyl)chromones in agarwood. Nat Commun, 13, 2022
7FFI	Diarylpentanoid-producing polyketide synthase (F340W mutant) Descriptor: Type III polyketide synthase Authors: Morita, H, Wong, C.P, Liu, Q, Kodama, T, Lee, Y, Nakashima, Y. Deposit date: 2021-07-23 Release date: 2022-01-19 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Identification of a diarylpentanoid-producing polyketide synthase revealing an unusual biosynthetic pathway of 2-(2-phenylethyl)chromones in agarwood. Nat Commun, 13, 2022
7FFC	Diarylpentanoid-producing polyketide synthase (A210E mutant) Descriptor: GLYCEROL, Type III polyketide synthase Authors: Morita, H, Wong, C.P, Liu, Q, Kodama, T, Lee, Y, Nakashima, Y. Deposit date: 2021-07-23 Release date: 2022-01-19 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.61 Å) Cite: Identification of a diarylpentanoid-producing polyketide synthase revealing an unusual biosynthetic pathway of 2-(2-phenylethyl)chromones in agarwood. Nat Commun, 13, 2022
7FFH	Diarylpentanoid-producing polyketide synthase (N199L mutant) Descriptor: Type III polyketide synthase Authors: Morita, H, Wong, C.P, Liu, Q, Takeshi, K, Lee, Y, Nakashima, Y. Deposit date: 2021-07-23 Release date: 2022-01-19 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Identification of a diarylpentanoid-producing polyketide synthase revealing an unusual biosynthetic pathway of 2-(2-phenylethyl)chromones in agarwood. Nat Commun, 13, 2022

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