3LA5
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6Q57
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3GYQ
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3JSX
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![BU of 3jsx by Molmil](/molmil-images/mine/3jsx) | X-ray Crystal structure of NAD(P)H: Quinone Oxidoreductase-1 (NQO1) bound to the coumarin-based inhibitor AS1 | Descriptor: | 4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | Authors: | Dunstan, M.S, Levy, C, Leys, D. | Deposit date: | 2009-09-11 | Release date: | 2010-01-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1). J.Med.Chem., 52, 2009
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1Y39
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![BU of 1y39 by Molmil](/molmil-images/mine/1y39) | Co-evolution of protein and RNA structures within a highly conserved ribosomal domain | Descriptor: | 50S ribosomal protein L11, 58 Nucleotide Ribosomal 23S RNA Domain, COBALT (III) ION, ... | Authors: | Dunstan, M.S, GuhaThakurta, D, Draper, D.E, Conn, G.L. | Deposit date: | 2004-11-24 | Release date: | 2005-03-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Coevolution of Protein and RNA Structures within a Highly Conserved Ribosomal Domain Chem.Biol., 12, 2005
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6GKZ
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6GKY
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4EPP
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4EPQ
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4LX5
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![BU of 4lx5 by Molmil](/molmil-images/mine/4lx5) | X-ray crystal structure of the M6" riboswitch aptamer bound to pyrimido[4,5-d]pyrimidine-2,4-diamine (PPDA) | Descriptor: | MAGNESIUM ION, Mutated adenine riboswitch aptamer, pyrimido[4,5-d]pyrimidine-2,4-diamine | Authors: | Dunstan, M.S, Leys, D. | Deposit date: | 2013-07-29 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Modular riboswitch toolsets for synthetic genetic control in diverse bacterial species. J.Am.Chem.Soc., 136, 2014
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4LX6
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6GKV
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![BU of 6gkv by Molmil](/molmil-images/mine/6gkv) | Crystal structure of Coclaurine N-Methyltransferase (CNMT) bound to N-methylheliamine and SAH | Descriptor: | 6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium, Coclaurine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Dunstan, M.S, Levy, C.W. | Deposit date: | 2018-05-22 | Release date: | 2018-06-06 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure and Biocatalytic Scope of Coclaurine N-Methyltransferase. Angew. Chem. Int. Ed. Engl., 57, 2018
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3SII
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3SIJ
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3SIH
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3TE7
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![BU of 3te7 by Molmil](/molmil-images/mine/3te7) | Quinone Oxidoreductase (NQ02) bound to the imidazoacridin-6-one 5a1 | Descriptor: | 5-{[2-(dimethylamino)ethyl]amino}-8-methoxy-6H-imidazo[4,5,1-de]acridin-6-one, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | Authors: | Dunstan, M.S. | Deposit date: | 2011-08-12 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Novel Inhibitors of NRH:Quinone Oxidoreductase 2 (NQO2): Crystal Structures, Biochemical Activity, and Intracellular Effects of Imidazoacridin-6-ones. J.Med.Chem., 54, 2011
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3TEM
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![BU of 3tem by Molmil](/molmil-images/mine/3tem) | Quinone Oxidoreductase (NQ02) bound to the imidazoacridin-6-one 6a1 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Dunstan, M.S, Leys, D. | Deposit date: | 2011-08-15 | Release date: | 2011-09-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Novel Inhibitors of NRH:Quinone Oxidoreductase 2 (NQO2): Crystal Structures, Biochemical Activity, and Intracellular Effects of Imidazoacridin-6-ones. J.Med.Chem., 54, 2011
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3TZB
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![BU of 3tzb by Molmil](/molmil-images/mine/3tzb) | Quinone Oxidoreductase (NQ02) bound to NSC13000 | Descriptor: | 9-AMINOACRIDINE, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Dunstan, M.S, Leys, D. | Deposit date: | 2011-09-27 | Release date: | 2011-11-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1901 Å) | Cite: | In silico screening reveals structurally diverse, nanomolar inhibitors of NQO2 that are functionally active in cells and can modulate NF-kappa B signaling. Mol.Cancer Ther., 11, 2012
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5LV9
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5LOA
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5LTM
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5LOC
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5LVA
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5MSD
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5MSC
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