7GQR
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![BU of 7gqr by Molmil](/molmil-images/mine/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
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7GQO
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![BU of 7gqo by Molmil](/molmil-images/mine/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
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7GP8
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![BU of 7gp8 by Molmil](/molmil-images/mine/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
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7GO4
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![BU of 7go4 by Molmil](/molmil-images/mine/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
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7GPD
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![BU of 7gpd by Molmil](/molmil-images/mine/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
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7GOO
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![BU of 7goo by Molmil](/molmil-images/mine/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
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7GPO
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![BU of 7gpo by Molmil](/molmil-images/mine/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
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7GPU
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![BU of 7gpu by Molmil](/molmil-images/mine/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
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7GQP
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![BU of 7gqp by Molmil](/molmil-images/mine/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
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7GQF
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![BU of 7gqf by Molmil](/molmil-images/mine/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
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7FHJ
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![BU of 7fhj by Molmil](/molmil-images/mine/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
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7F8G
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![BU of 7f8g by Molmil](/molmil-images/mine/7f8g) | |
7F2S
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![BU of 7f2s by Molmil](/molmil-images/mine/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
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7F35
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![BU of 7f35 by Molmil](/molmil-images/mine/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
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7FB7
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![BU of 7fb7 by Molmil](/molmil-images/mine/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
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7F2D
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![BU of 7f2d by Molmil](/molmil-images/mine/7f2d) | |
7F8B
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![BU of 7f8b by Molmil](/molmil-images/mine/7f8b) | |
7F2I
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![BU of 7f2i by Molmil](/molmil-images/mine/7f2i) | |
7F8A
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![BU of 7f8a by Molmil](/molmil-images/mine/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
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7F8C
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![BU of 7f8c by Molmil](/molmil-images/mine/7f8c) | |
7FFG
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![BU of 7ffg by Molmil](/molmil-images/mine/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
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7FFA
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![BU of 7ffa by Molmil](/molmil-images/mine/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
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7FFI
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![BU of 7ffi by Molmil](/molmil-images/mine/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
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7FFC
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![BU of 7ffc by Molmil](/molmil-images/mine/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
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7FFH
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![BU of 7ffh by Molmil](/molmil-images/mine/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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