7QZL
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![BU of 7qzl by Molmil](/molmil-images/mine/7qzl) | Amine Dehydrogenase from Cystobacter fuscus (CfusAmDH) W145A mutant with NADP+ and pentylamine | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AMYLAMINE, Amine Dehydrogenase, ... | 著者 | Bennett, M, Ducrot, L, Vaxelaire-Vergne, C, Grogan, G. | 登録日 | 2022-01-31 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Cover Feature: Expanding the Substrate Scope of Native Amine Dehydrogenases through In Silico Structural Exploration and Targeted Protein Engineering (ChemCatChem 22/2022) Chemcatchem, 14, 2022
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1VR9
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![BU of 1vr9 by Molmil](/molmil-images/mine/1vr9) | |
1VRB
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1VRM
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7QZH
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![BU of 7qzh by Molmil](/molmil-images/mine/7qzh) | SFX structure of dye-type peroxidase DtpB D152A variant in the ferric state | 分子名称: | Dyp-type peroxidase family, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Axford, D.A, Owen, R.L, Tosha, T, Sugimoto, H, Owada, S. | 登録日 | 2022-01-31 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase DtpB. Acs Catalysis, 12, 2022
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134L
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7QZE
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![BU of 7qze by Molmil](/molmil-images/mine/7qze) | SFX structure of dye-type peroxidase DtpB D152A variant in the ferryl state | 分子名称: | Dyp-type peroxidase family, MAGNESIUM ION, OXYGEN ATOM, ... | 著者 | Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Axford, D.A, Owen, R.L, Tosha, T, Sugimoto, H, Owada, S. | 登録日 | 2022-01-31 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase DtpB. Acs Catalysis, 12, 2022
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1VS1
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![BU of 1vs1 by Molmil](/molmil-images/mine/1vs1) | Crystal structure of 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase (DAHP synthase) from Aeropyrum pernix in complex with Mn2+ and PEP | 分子名称: | 3-deoxy-7-phosphoheptulonate synthase, MANGANESE (II) ION, PHOSPHOENOLPYRUVATE | 著者 | Shumilin, I.A, Zhou, L, Wu, J, Woodard, R.W, Bauerle, R, Kretsinger, R.H. | 登録日 | 2006-03-09 | 公開日 | 2006-05-16 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase (DAHP synthase) from Aeropyrum pernix in complex with Mn2+ and PEP TO BE PUBLISHED
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7QZF
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![BU of 7qzf by Molmil](/molmil-images/mine/7qzf) | SFX structure of dye-type peroxidase DtpB D152A/N245A variant in the ferric state | 分子名称: | Dyp-type peroxidase family, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Owen, R.L, Axford, D, Tosha, T, Sugimoto, H, Owada, S. | 登録日 | 2022-01-31 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase DtpB. Acs Catalysis, 12, 2022
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1W7S
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1W8K
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![BU of 1w8k by Molmil](/molmil-images/mine/1w8k) | Crystal structure of apical membrane antigen 1 from Plasmodium vivax | 分子名称: | APICAL MEMBRANE ANTIGEN 1, IMIDAZOLE | 著者 | Pizarro, J.C, Vulliez-Le Normand, B, Chesne-Seck, M.-L, Kocken, C.H.M, Thomas, A.W, Bentley, G.A. | 登録日 | 2004-09-23 | 公開日 | 2005-03-01 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal Structure of the Malaria Vaccine Candidate Apical Membrane Antigen 1 Science, 308, 2005
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5GP4
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7QZG
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![BU of 7qzg by Molmil](/molmil-images/mine/7qzg) | SFX structure of dye-type peroxidase DtpB N245A variant in the ferric state | 分子名称: | Dyp-type peroxidase family, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Axford, D.A, Owen, R.L, Tosha, T, Sugimoto, H, Owada, S. | 登録日 | 2022-01-31 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase DtpB. Acs Catalysis, 12, 2022
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5GQZ
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![BU of 5gqz by Molmil](/molmil-images/mine/5gqz) | |
7R59
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![BU of 7r59 by Molmil](/molmil-images/mine/7r59) | PARP2 catalytic domain in complex with OUL245 | 分子名称: | GLYCEROL, Poly [ADP-ribose] polymerase 2, [1,2,4]triazolo[3,4-b][1,3]benzothiazol-6-ol | 著者 | Galera-Prat, A, Maksimainen, M.M, Lehtio, L. | 登録日 | 2022-02-10 | 公開日 | 2023-01-25 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes. J.Med.Chem., 66, 2023
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7REY
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![BU of 7rey by Molmil](/molmil-images/mine/7rey) | MYCOBACTERIUM ABSCESSUS TRNA METHYLTRANSFERASE IN APO FORM | 分子名称: | SODIUM ION, tRNA (guanine-N(1)-)-methyltransferase | 著者 | Prucha, G.R, Ismail, M, Suske, A, Das, B, Oz, M, Perez, A, Bolen, R, Jayaraman, S, Stojanoff, V, Halloran, J. | 登録日 | 2021-07-13 | 公開日 | 2023-01-18 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Crystal structure of divalent Mg2+ dependent Mycobacterium abscessus tRNA (m1 G37) Methyltransferase (TrmD) To Be Published
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7R3Z
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![BU of 7r3z by Molmil](/molmil-images/mine/7r3z) | Tankyrase 2 catalytic domain in complex with OUL40 | 分子名称: | 6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, GLYCEROL, Poly [ADP-ribose] polymerase tankyrase-2, ... | 著者 | Murthy, S, Venkannagari, H, Maksimainen, M.M, Lehtio, L. | 登録日 | 2022-02-08 | 公開日 | 2023-01-25 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes. J.Med.Chem., 66, 2023
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7R5D
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![BU of 7r5d by Molmil](/molmil-images/mine/7r5d) | PARP15 catalytic domain in complex with OUL234 | 分子名称: | 6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | 著者 | Maksimainen, M.M, Lehtio, L. | 登録日 | 2022-02-10 | 公開日 | 2023-01-25 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes. J.Med.Chem., 66, 2023
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1VES
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6DZH
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![BU of 6dzh by Molmil](/molmil-images/mine/6dzh) | HRAS G13D bound to GDP (H13GDP) | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, GLYCEROL, ... | 著者 | Johnson, C.W, Mattos, C. | 登録日 | 2018-07-04 | 公開日 | 2019-07-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Isoform-Specific Destabilization of the Active Site Reveals a Molecular Mechanism of Intrinsic Activation of KRas G13D. Cell Rep, 28, 2019
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1VKI
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![BU of 1vki by Molmil](/molmil-images/mine/1vki) | |
7R3L
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![BU of 7r3l by Molmil](/molmil-images/mine/7r3l) | PARP14 catalytic domain in complex with OUL40 | 分子名称: | 6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, CHLORIDE ION, Poly [ADP-ribose] polymerase 14, ... | 著者 | Maksimainen, M.M, Murthy, S, Lehtio, L. | 登録日 | 2022-02-07 | 公開日 | 2023-01-25 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes. J.Med.Chem., 66, 2023
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7R3O
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![BU of 7r3o by Molmil](/molmil-images/mine/7r3o) | PARP15 catalytic domain in complex with OUL40 | 分子名称: | 6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | 著者 | Maksimainen, M.M, Murthy, S, Lehtio, L. | 登録日 | 2022-02-07 | 公開日 | 2023-01-25 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes. J.Med.Chem., 66, 2023
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1VL5
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3LKK
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![BU of 3lkk by Molmil](/molmil-images/mine/3lkk) | |