7H2D
 
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1397964787 | | 分子名称: | 2-cyclopropyl-1~{H}-imidazole-4-carboxamide, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | 著者 | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | 登録日 | 2024-04-03 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.566 Å) | | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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7H26
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1198317053 | | 分子名称: | (5-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid, DIMETHYL SULFOXIDE, SULFATE ION, ... | | 著者 | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | 登録日 | 2024-04-03 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.849 Å) | | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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6PA5
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7H1S
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z57477251 | | 分子名称: | 4-(piperazin-1-yl)quinoline, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | 著者 | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | 登録日 | 2024-04-03 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.376 Å) | | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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7KT5
 | | DNA Polymerase Mu, 8-oxodGTP:At Product State Ternary Complex, 10 mM Mn2+ (120min) | | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2020-11-24 | | 公開日 | 2021-12-15 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
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7H1W
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z270834034 | | 分子名称: | (2R)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)propan-1-amine, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | 著者 | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | 登録日 | 2024-04-03 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.396 Å) | | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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5EO1
 | | Crystal Structure of HLA-B0702-RL9 | | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ... | | 著者 | Josephs, T.M, Gras, S, Rossjohn, J. | | 登録日 | 2015-11-10 | | 公開日 | 2016-02-24 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | HIV-1-Specific CD8 T Cells Exhibit Limited Cross-Reactivity during Acute Infection.
J Immunol., 196, 2016
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7H2N
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z228587394 | | 分子名称: | 4-methoxy-2-(piperazin-1-yl)pyrimidine, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | 著者 | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | 登録日 | 2024-04-03 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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9J71
 | | Crystal strcuture of Keap1_compound_7 | | 分子名称: | 2-[(4-aminophenyl)sulfonyl-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]amino]ethanamide, Kelch-like ECH-associated protein 1, ~{N}-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-[2-[2-[3-[[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]propanamide | | 著者 | Xu, K. | | 登録日 | 2024-08-17 | | 公開日 | 2025-06-25 | | 最終更新日 | 2025-09-17 | | 実験手法 | X-RAY DIFFRACTION (2.993 Å) | | 主引用文献 | Chemical knockdown of Keap1 and homoPROTAC-ing allergic rhinitis.
Acta Pharm Sin B, 15, 2025
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7KT8
 | | DNA Polymerase Mu, 8-oxodGTP:At Product State Ternary Complex, 50 mM Mg2+ (180min) | | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2020-11-24 | | 公開日 | 2021-12-15 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.701 Å) | | 主引用文献 | Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
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7KT3
 | | DNA Polymerase Mu, 8-oxodGTP:At Pre-Catalytic Ground State Ternary Complex, 20 mM Ca2+ (120min) | | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2020-11-24 | | 公開日 | 2021-12-15 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.879 Å) | | 主引用文献 | Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
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7KT4
 | | DNA Polymerase Mu, 8-oxodGTP:At Reaction State Ternary Complex, 10 mM Mn2+ (30min) | | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2020-11-24 | | 公開日 | 2021-12-15 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.922 Å) | | 主引用文献 | Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
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5ETJ
 | | Crystal structure of purine nucleoside phosphorylase (E258D, L261A) mutant from human complexed with DADMe-ImmG and phosphate | | 分子名称: | 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, Purine nucleoside phosphorylase | | 著者 | Cameron, S.A, Suarez, J, Schramm, V.L, Almo, S.C. | | 登録日 | 2015-11-17 | | 公開日 | 2016-09-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Modulating Enzyme Catalysis through Mutations Designed to Alter Rapid Protein Dynamics.
J.Am.Chem.Soc., 138, 2016
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3TG4
 | | Structure of SMYD2 in complex with SAM | | 分子名称: | GLYCEROL, N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ... | | 著者 | Zhao, K, Wang, L. | | 登録日 | 2011-08-17 | | 公開日 | 2011-08-31 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure of human SMYD2 reveals the basis of p53 tumor suppressor methylation
J.Biol.Chem., 2011
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3DLJ
 | | Crystal structure of human carnosine dipeptidase 1 | | 分子名称: | Beta-Ala-His dipeptidase, SULFATE ION, UNKNOWN ATOM OR ION, ... | | 著者 | Dong, A, Dobrovetsky, E, Seitova, A, He, H, Tempel, W, Kozieradzki, I, Arrowsmith, C.H, Weigelt, J, Bountra, C, Edwards, A.M, Bochkarev, A, Cossar, D, Structural Genomics Consortium (SGC) | | 登録日 | 2008-06-27 | | 公開日 | 2008-08-19 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Crystal structure of human carnosine dipeptidase 1.
To be Published
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5EP4
 | | Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Shah, T, Selcuk, H.B, Jeffrey, P.D, Hughson, F.M. | | 登録日 | 2015-11-11 | | 公開日 | 2016-04-20 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO.
Plos Biol., 14, 2016
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5S3A
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1562205518 | | 分子名称: | 1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide, DIMETHYL SULFOXIDE, Non-structural protein 3 | | 著者 | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | | 登録日 | 2020-11-02 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.178 Å) | | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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7KT7
 | | DNA Polymerase Mu, 8-oxodGTP:At Reaction State Ternary Complex, 50 mM Mg2+ (60min) | | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2020-11-24 | | 公開日 | 2021-12-15 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
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7KTE
 | | DNA Polymerase Mu, 8-oxodGTP:Ct Reaction State Ternary Complex, 50 mM Mg2+ (90min) | | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2020-11-24 | | 公開日 | 2021-12-15 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.479 Å) | | 主引用文献 | Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
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7KTN
 | | DNA Polymerase Mu, 8-oxodGTP:At Product State Ternary Complex, 10 mM Mg2+ (2160min) | | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2020-11-24 | | 公開日 | 2021-12-15 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
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7KTG
 | | DNA Polymerase Mu, 8-oxodGTP:Ct Product State Ternary Complex, 50 mM Mg2+ (960min) | | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2020-11-24 | | 公開日 | 2021-12-15 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.445 Å) | | 主引用文献 | Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
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5KY8
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5EQC
 | | Structure of the ornithine aminotransferase from Toxoplasma gondii crystallized in presence of oxidized glutathione reveals partial occupancy of PLP at the protein active site | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | | 著者 | Filippova, E.V, Minasov, G, Flores, K, Le, H.V, Silverman, R.B, McLeod, R.L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2015-11-12 | | 公開日 | 2016-02-24 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure of the ornithine aminotransferase from Toxoplasma gondii crystallized in presence of oxidized glutathione reveals partial occupancy of PLP at the protein active site
To Be Published
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7L4B
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8BOU
 | | Crystal structure of Blautia producta GH94 | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... | | 著者 | Levy, C.W. | | 登録日 | 2022-11-15 | | 公開日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Blautia producta is a competent degrader among human gut Firmicutes for utilizing dietary beta mixed linkage glucan
To Be Published
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