2N35
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3NBV
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3NBW
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![BU of 3nbw by Molmil](/molmil-images/mine/3nbw) | X-ray structure of ketohexokinase in complex with a pyrazole compound | Descriptor: | 5-amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile, GLYCEROL, Ketohexokinase, ... | Authors: | Abad, M.C, Gibbs, A.C, Spurlino, J.C. | Deposit date: | 2010-06-04 | Release date: | 2010-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.341 Å) | Cite: | Electron density guided fragment-based lead discovery of ketohexokinase inhibitors. J.Med.Chem., 53, 2010
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3NC2
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3NC9
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3NCA
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![BU of 3nca by Molmil](/molmil-images/mine/3nca) | X-ray structure of ketohexokinase in complex with a thieno pyridinol compound | Descriptor: | Ketohexokinase, SULFATE ION, thieno[3,2-b]pyridin-7-ol | Authors: | Abad, M.C, Gibbs, A.C, Spurlino, J.C. | Deposit date: | 2010-06-04 | Release date: | 2010-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.602 Å) | Cite: | Electron density guided fragment-based lead discovery of ketohexokinase inhibitors. J.Med.Chem., 53, 2010
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1RY3
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![BU of 1ry3 by Molmil](/molmil-images/mine/1ry3) | NMR Solution Structure of the Precursor for Carnobacteriocin B2, an Antimicrobial Peptide from Carnobacterium piscicola | Descriptor: | Bacteriocin carnobacteriocin B2 | Authors: | Sprules, T, Kawulka, K.E, Gibbs, A.C, Wishart, D.S, Vederas, J.C. | Deposit date: | 2003-12-19 | Release date: | 2004-05-04 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | NMR solution structure of the precursor for carnobacteriocin B2, an antimicrobial peptide from Carnobacterium piscicola. Eur.J.Biochem., 271, 2004
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3RO4
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1CW6
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![BU of 1cw6 by Molmil](/molmil-images/mine/1cw6) | REFINED SOLUTION STRUCTURE OF LEUCOCIN A | Descriptor: | TYPE IIA BACTERIOCIN LEUCOCIN A | Authors: | Wang, Y, Henz, M.E, Gallagher, N.L.F, Chai, S, Yan, L.Z, Gibbs, A.C, Stiles, M.E, Wishart, D.S, Vederas, J.C. | Deposit date: | 1999-08-25 | Release date: | 1999-09-08 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Solution structure of carnobacteriocin B2 and implications for structure-activity relationships among type IIa bacteriocins from lactic acid bacteria. Biochemistry, 38, 1999
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1CW5
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![BU of 1cw5 by Molmil](/molmil-images/mine/1cw5) | SOLUTION STRUCTURE OF CARNOBACTERIOCIN B2 | Descriptor: | TYPE IIA BACTERIOCIN CARNOBACTERIOCIN B2 | Authors: | Wang, Y, Henz, M.E, Gallagher, N.L.F, Chai, S, Yan, L.Z, Gibbs, A.C, Stiles, M.E, Wishart, D.S, Vederas, J.C. | Deposit date: | 1999-08-25 | Release date: | 1999-09-07 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Solution structure of carnobacteriocin B2 and implications for structure-activity relationships among type IIa bacteriocins from lactic acid bacteria. Biochemistry, 38, 1999
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5TCZ
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5K9R
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![BU of 5k9r by Molmil](/molmil-images/mine/5k9r) | PDE10a with imidazopyrazine inhibitor | Descriptor: | 4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine, MAGNESIUM ION, ZINC ION, ... | Authors: | Gibbs, A.G, Schubert, C. | Deposit date: | 2016-06-01 | Release date: | 2016-08-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of novel potent imidazo[1,2-b]pyridazine PDE10a inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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3QAI
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![BU of 3qai by Molmil](/molmil-images/mine/3qai) | X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 3 | Descriptor: | Ketohexokinase, N~8~-(cyclopropylmethyl)-2-(2,6-diazaspiro[3.3]hept-2-yl)-N~4~-[2-(methylsulfanyl)phenyl]pyrimido[5,4-d]pyrimidine-4,8-diamine, SULFATE ION | Authors: | Abad, M.C. | Deposit date: | 2011-01-11 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site. ACS Med Chem Lett, 2, 2011
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3Q92
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![BU of 3q92 by Molmil](/molmil-images/mine/3q92) | X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 1 | Descriptor: | Ketohexokinase, N~8~-(cyclopropylmethyl)-N~4~-[2-(methylsulfanyl)phenyl]-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine, SULFATE ION | Authors: | Abad, M.C. | Deposit date: | 2011-01-07 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site. ACS Med Chem Lett, 2, 2011
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3QA2
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![BU of 3qa2 by Molmil](/molmil-images/mine/3qa2) | X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 2 | Descriptor: | Ketohexokinase, N~8~-(cyclopropylmethyl)-N~4~-(2-methylphenyl)-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine, SULFATE ION | Authors: | Abad, M.C. | Deposit date: | 2011-01-10 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.519 Å) | Cite: | Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site. ACS Med Chem Lett, 2, 2011
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