6LX1
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![BU of 6lx1 by Molmil](/molmil-images/mine/6lx1) | Potato D-enzyme complexed with Acarbose | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-1,5-anhydro-D-glucitol, 4-alpha-glucanotransferase, chloroplastic/amyloplastic, ... | Authors: | Unno, H, Imamura, K. | Deposit date: | 2020-02-10 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structural analysis and reaction mechanism of the disproportionating enzyme (D-enzyme) from potato. Protein Sci., 29, 2020
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6LX2
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![BU of 6lx2 by Molmil](/molmil-images/mine/6lx2) | Potato D-enzyme complexed with CA26 | Descriptor: | 4-alpha-glucanotransferase, chloroplastic/amyloplastic, 4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose, ... | Authors: | Unno, H, Imamura, K. | Deposit date: | 2020-02-10 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural analysis and reaction mechanism of the disproportionating enzyme (D-enzyme) from potato. Protein Sci., 29, 2020
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5JGB
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![BU of 5jgb by Molmil](/molmil-images/mine/5jgb) | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 10 | Descriptor: | N-(2-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | Deposit date: | 2016-04-20 | Release date: | 2016-07-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD) Bioorg.Med.Chem., 24, 2016
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5JGD
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![BU of 5jgd by Molmil](/molmil-images/mine/5jgd) | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 12 | Descriptor: | N-(2-isopropoxy-3-(4-methylpiperazine-1-carbonyl)phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | Deposit date: | 2016-04-20 | Release date: | 2016-07-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.101 Å) | Cite: | Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD) Bioorg.Med.Chem., 24, 2016
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5JGA
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![BU of 5jga by Molmil](/molmil-images/mine/5jga) | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 11c | Descriptor: | N-[5-(4-methylpiperazine-1-carbonyl)[1,1'-biphenyl]-2-yl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | Deposit date: | 2016-04-19 | Release date: | 2016-07-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD) Bioorg.Med.Chem., 24, 2016
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6M6Z
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![BU of 6m6z by Molmil](/molmil-images/mine/6m6z) | A de novo designed transmembrane nanopore, TMH4C4 | Descriptor: | TMH4C4 | Authors: | Lu, P, Xu, C, Reggiano, G, Xu, Q, DiMaio, F, Baker, D. | Deposit date: | 2020-03-16 | Release date: | 2020-06-24 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (5.9 Å) | Cite: | Computational design of transmembrane pores. Nature, 585, 2020
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6O35
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![BU of 6o35 by Molmil](/molmil-images/mine/6o35) | |
5GJF
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![BU of 5gjf by Molmil](/molmil-images/mine/5gjf) | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 3 | Descriptor: | N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(3-phenylureido)phenyl)thiazole-4-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | Deposit date: | 2016-06-29 | Release date: | 2016-11-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD) Chem.Pharm.Bull., 64, 2016
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5GJG
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![BU of 5gjg by Molmil](/molmil-images/mine/5gjg) | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 4 | Descriptor: | N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(phenylcarbamoyl)phenyl)thiazole-4-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | Deposit date: | 2016-06-29 | Release date: | 2016-11-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD) Chem.Pharm.Bull., 64, 2016
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5GJD
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![BU of 5gjd by Molmil](/molmil-images/mine/5gjd) | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 2 | Descriptor: | 1-(4-((1H-pyrrolo[2,3-b]pyridin-4-yl)oxy)phenyl)-3-(5-(4-methylpiperazin-1-yl)naphthalen-2-yl)urea, TAK1 kinase - TAB1 chimera fusion protein | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | Deposit date: | 2016-06-29 | Release date: | 2016-11-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD) Chem.Pharm.Bull., 64, 2016
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3AGG
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![BU of 3agg by Molmil](/molmil-images/mine/3agg) | X-ray analysis of lysozyme in the absence of Arg | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | Authors: | Ito, L, Shiraki, K, Hasegawa, K, Baba, S, Kumasaka, T. | Deposit date: | 2010-03-31 | Release date: | 2011-03-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High-resolution X-ray analysis reveals binding of arginine to aromatic residues of lysozyme surface: implication of suppression of protein aggregation by arginine Protein Eng.Des.Sel., 24, 2011
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3AGH
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![BU of 3agh by Molmil](/molmil-images/mine/3agh) | X-ray analysis of lysozyme in the presence of 200 mM Arg | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | Authors: | Ito, L, Shiraki, K, Hasegawa, K, Baba, S, Kumasaka, T. | Deposit date: | 2010-03-31 | Release date: | 2011-03-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | High-resolution X-ray analysis reveals binding of arginine to aromatic residues of lysozyme surface: implication of suppression of protein aggregation by arginine Protein Eng.Des.Sel., 24, 2011
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3AGI
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![BU of 3agi by Molmil](/molmil-images/mine/3agi) | High resolution X-ray analysis of Arg-lysozyme complex in the presence of 500 mM Arg | Descriptor: | ACETATE ION, ARGININE, CHLORIDE ION, ... | Authors: | Ito, L, Shiraki, K, Hasegawa, K, Baba, S, Kumasaka, T. | Deposit date: | 2010-03-31 | Release date: | 2011-03-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | High-resolution X-ray analysis reveals binding of arginine to aromatic residues of lysozyme surface: implication of suppression of protein aggregation by arginine Protein Eng.Des.Sel., 24, 2011
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3AGW
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3VW9
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![BU of 3vw9 by Molmil](/molmil-images/mine/3vw9) | Human Glyoxalase I with an N-hydroxypyridone inhibitor | Descriptor: | 1-hydroxy-6-[1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lactoylglutathione lyase, ... | Authors: | Fukami, T.A, Irie, M, Matsuura, T. | Deposit date: | 2012-08-10 | Release date: | 2012-12-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Design and evaluation of azaindole-substituted N-hydroxypyridones as glyoxalase I inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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3W0U
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![BU of 3w0u by Molmil](/molmil-images/mine/3w0u) | human Glyoxalase I with an N-hydroxypyridone inhibitor | Descriptor: | Lactoylglutathione lyase, N-[3-(1-Hydroxy-6-oxo-4-phenyl-1,6-dihydro-pyridin-2-yl)-5-methanesulfonylamino-phenyl]-methanesulfonamide, ZINC ION | Authors: | Fukami, T.A, Irie, M, Matsuura, T. | Deposit date: | 2012-11-02 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | N-Hydroxypyridone-based glyoxalase I inhibitors mimicking binding interactions of the substrate to be published
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3AUW
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![BU of 3auw by Molmil](/molmil-images/mine/3auw) | |
3W0T
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![BU of 3w0t by Molmil](/molmil-images/mine/3w0t) | Human Glyoxalase I with an N-hydroxypyridone derivative inhibitor | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lactoylglutathione lyase, N-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide, ... | Authors: | Fukami, T.A, Irie, M, Matsuura, T. | Deposit date: | 2012-11-02 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.351 Å) | Cite: | N-Hydroxypyridone-based glyoxalase I inhibitors mimicking binding interactions of the substrate To be Published
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2E4F
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3A4P
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![BU of 3a4p by Molmil](/molmil-images/mine/3a4p) | human c-MET kinase domain complexed with 6-benzyloxyquinoline inhibitor | Descriptor: | (2E)-3-{6-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]quinolin-3-yl}-N-methylprop-2-enamide, CHLORIDE ION, Hepatocyte growth factor receptor, ... | Authors: | Fukami, T.A, Kadono, S, Yamamuro, M, Matsuura, T. | Deposit date: | 2009-07-13 | Release date: | 2010-02-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Discovery of 6-benzyloxyquinolines as c-Met selective kinase inhibitors Bioorg.Med.Chem.Lett., 20, 2010
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