7UZG
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5C5P
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![BU of 5c5p by Molmil](/molmil-images/mine/5c5p) | CRYSTAL STRUCTURE OF HUMAN TANKYRASE-2 IN COMPLEX WITH A PYRANOPYRIDONE INHIBITOR | Descriptor: | (3R)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one, SULFATE ION, Tankyrase-2, ... | Authors: | Lukacs, C.M, Janson, C.A. | Deposit date: | 2015-06-21 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors. Acs Med.Chem.Lett., 6, 2015
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5WDI
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![BU of 5wdi by Molmil](/molmil-images/mine/5wdi) | Structure of Human Sts-2 histidine phosphatase domain | Descriptor: | SULFATE ION, Ubiquitin-associated and SH3 domain-containing protein A | Authors: | Zhou, W, Yin, Y, Weinheimer, A.W, Kaur, N, Carpino, N, French, J.B. | Deposit date: | 2017-07-05 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structural and Functional Characterization of the Histidine Phosphatase Domains of Human Sts-1 and Sts-2. Biochemistry, 56, 2017
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5C5R
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![BU of 5c5r by Molmil](/molmil-images/mine/5c5r) | CRYSTAL STRUCTURE OF HUMAN TANKYRASE-2 IN COMPLEX WITH A PYRANOPYRIDONE INHIBITOR | Descriptor: | (7R)-2-hydroxy-7-(propan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile, SULFATE ION, Tankyrase-2, ... | Authors: | Lukacs, C.M, Janson, C.A. | Deposit date: | 2015-06-21 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors. Acs Med.Chem.Lett., 6, 2015
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3DT1
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![BU of 3dt1 by Molmil](/molmil-images/mine/3dt1) | P38 Complexed with a quinazoline inhibitor | Descriptor: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide | Authors: | Herberich, B, Syed, R, Li, V, Tasker, A.S. | Deposit date: | 2008-07-14 | Release date: | 2008-10-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold. J.Med.Chem., 51, 2008
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5WJJ
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![BU of 5wjj by Molmil](/molmil-images/mine/5wjj) | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors | Descriptor: | Mitogen-activated protein kinase 14, N-{4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl}-2-methyl-1-oxo-1lambda~5~-pyridine-4-carboxamide | Authors: | Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C. | Deposit date: | 2017-07-23 | Release date: | 2018-01-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors. Bioorg. Med. Chem., 26, 2018
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4L0S
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![BU of 4l0s by Molmil](/molmil-images/mine/4l0s) | Tankyrase 2 in complex with 4'-cyano flavone | Descriptor: | 4-(4-oxo-4H-chromen-2-yl)benzonitrile, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-06-01 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4L0I
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![BU of 4l0i by Molmil](/molmil-images/mine/4l0i) | Tankyrase 2 catalytic domain in complex with ethyl 4-(4-oxo-4H-chromen-2-yl)benzoate | Descriptor: | SULFATE ION, Tankyrase-2, ZINC ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-05-31 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4L10
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![BU of 4l10 by Molmil](/molmil-images/mine/4l10) | Tankyrase 2 in complex with 4'-methoxy flavone | Descriptor: | 2-(4-methoxyphenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-06-01 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4L0T
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![BU of 4l0t by Molmil](/molmil-images/mine/4l0t) | Tankyrase 2 in complex with 4'-nitro flavone | Descriptor: | 2-(4-nitrophenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-06-01 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4L52
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![BU of 4l52 by Molmil](/molmil-images/mine/4l52) | Crystal Structure of 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethan-1-one bound to TAK1-TAB1 | Descriptor: | 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethanone, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera | Authors: | Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M. | Deposit date: | 2013-06-10 | Release date: | 2013-07-03 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1. Bioorg.Med.Chem.Lett., 23, 2013
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4L2G
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![BU of 4l2g by Molmil](/molmil-images/mine/4l2g) | Tankyrase 2 in complex with 6- fluoro flavone | Descriptor: | 6-fluoro-2-phenyl-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-06-04 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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5W7Y
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3DVU
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4L68
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2WYQ
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4LI7
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![BU of 4li7 by Molmil](/molmil-images/mine/4li7) | TANKYRASE-1 complexed with small molecule inhibitor 4-chloro-5-cyano-N-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methoxybenzamide | Descriptor: | 4-chloro-5-cyano-N-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methoxybenzamide, SODIUM ION, SULFATE ION, ... | Authors: | Kirby, C.A, Stams, T. | Deposit date: | 2013-07-02 | Release date: | 2013-08-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identification of NVP-TNKS656: The Use of Structure-Efficiency Relationships To Generate a Highly Potent, Selective, and Orally Active Tankyrase Inhibitor. J.Med.Chem., 56, 2013
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5X1V
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![BU of 5x1v by Molmil](/molmil-images/mine/5x1v) | PKM2 in complex with compound 2 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrole-2-carboxamide, Pyruvate kinase PKM | Authors: | Matsui, Y, Hanzawa, H. | Deposit date: | 2017-01-27 | Release date: | 2017-05-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and structure-guided fragment-linking of 4-(2,3-dichlorobenzoyl)-1-methyl-pyrrole-2-carboxamide as a pyruvate kinase M2 activator Bioorg. Med. Chem., 25, 2017
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6T16
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![BU of 6t16 by Molmil](/molmil-images/mine/6t16) | ASR Alternansucrase in complex with panose | Descriptor: | Alternansucrase, CALCIUM ION, alpha-D-glucopyranose, ... | Authors: | Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M. | Deposit date: | 2019-10-03 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation. J.Biol.Chem., 295, 2020
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2WJY
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![BU of 2wjy by Molmil](/molmil-images/mine/2wjy) | Crystal structure of the complex between human nonsense mediated decay factors UPF1 and UPF2 Orthorhombic form | Descriptor: | REGULATOR OF NONSENSE TRANSCRIPTS 1, SULFATE ION, ZINC ION | Authors: | Clerici, M, Mourao, A, Gutsche, I, Gehring, N.H, Hentze, M.W, Kulozik, A, Kadlec, J, Sattler, M, Cusack, S. | Deposit date: | 2009-06-01 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Unusual Bipartite Mode of Interaction between the Nonsense-Mediated Decay Factors, Upf1 and Upf2. Embo J., 28, 2009
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5WOS
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6SZI
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![BU of 6szi by Molmil](/molmil-images/mine/6szi) | ASR Alternansucrase in complex with isomaltose | Descriptor: | Alternansucrase, CALCIUM ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose | Authors: | Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M. | Deposit date: | 2019-10-02 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation. J.Biol.Chem., 295, 2020
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2X5N
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![BU of 2x5n by Molmil](/molmil-images/mine/2x5n) | Crystal Structure of the SpRpn10 VWA domain | Descriptor: | 26S PROTEASOME REGULATORY SUBUNIT RPN10, SULFATE ION | Authors: | Riedinger, C, Boehringer, J, Trempe, J.-F, Lowe, E.D, Brown, N.R, Gehring, K, Noble, M.E.M, Gordon, C, Endicott, J.A. | Deposit date: | 2010-02-10 | Release date: | 2010-08-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The Structure of Rpn10 and its Interactions with Polyubiquitin Chains and the Proteasome Subunit Rpn12. J.Biol.Chem., 285, 2010
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5AKU
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![BU of 5aku by Molmil](/molmil-images/mine/5aku) | Crystal structure of TNKS2 in complex with 2-(4-tert-butylphenyl)-1,2, 3,4-tetrahydroquinazolin-4-one | Descriptor: | 2-(4-tert-butylphenyl)-1,4-dihydroquinazolin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Nkizinkiko, Y, Lehtio, L. | Deposit date: | 2015-03-05 | Release date: | 2015-07-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics. Bioorg.Med.Chem., 23, 2015
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5YGC
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