4LI6
 
 | | TANKYRASE-1 Complexed with small molecule inhibitor N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide | | Descriptor: | N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide, SULFATE ION, Tankyrase-1, ... | | 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 (2.05 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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3U9Y
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4LJP
 | | Structure of an active ligase (HOIP-H889A)/ubiquitin transfer complex | | Descriptor: | E3 ubiquitin-protein ligase RNF31, Polyubiquitin-C, ZINC ION | | Authors: | Rana, R.R, Stieglitz, B, Koliopoulos, M.G, Morris-Davies, A.C, Christodoulou, E, Howell, S, Brown, N.R, Rittinger, K. | | Deposit date: | 2013-07-05 | | Release date: | 2013-10-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural basis for ligase-specific conjugation of linear ubiquitin chains by HOIP.
Nature, 503, 2013
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4PHF
 | | Crystal structure of Ypt7 covalently modified with GDP | | Descriptor: | GTP-binding protein YPT7, MAGNESIUM ION, N-[3-(propanoylamino)propyl]guanosine 5'-(trihydrogen diphosphate), ... | | Authors: | Vieweg, S, Wiegandt, D, Hofmann, F, Koch, D, Wu, Y, Itzen, A, Mueller, M.P, Goody, R.S. | | Deposit date: | 2014-05-06 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Locking GTPases covalently in their functional states.
Nat Commun, 6, 2015
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3TII
 | | Tubulin tyrosine ligase | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ttl protein | | Authors: | Roll-Mecak, A, Szyk, A, Deaconescu, A, Piszczek, G. | | Deposit date: | 2011-08-20 | | Release date: | 2011-10-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Tubulin tyrosine ligase structure reveals adaptation of an ancient fold to bind and modify tubulin.
Nat.Struct.Mol.Biol., 18, 2011
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5B42
 | | Crystal structure of the C-terminal endonuclease domain of Aquifex aeolicus MutL. | | Descriptor: | CADMIUM ION, DI(HYDROXYETHYL)ETHER, DNA mismatch repair protein MutL | | Authors: | Fukui, K, Baba, S, Kumasaka, T, Yano, T. | | Deposit date: | 2016-03-30 | | Release date: | 2016-07-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural Features and Functional Dependency on beta-Clamp Define Distinct Subfamilies of Bacterial Mismatch Repair Endonuclease MutL
J.Biol.Chem., 291, 2016
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4CBS
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4PPS
 | | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with an A-CD ring estrogen derivative | | Descriptor: | (1S,3aR,5R,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Parent, A.A, Hughes, T.S, Pollock, J.A, Gjyshi, O, Cavett, V, Nowak, J, Garcia-Ordonez, R.D, Houtman, R, Griffin, P.R, Kojetin, D.J, Katzenellenbogen, J.A, Conkright, M.D, Nettles, K.W. | | Deposit date: | 2014-02-27 | | Release date: | 2014-05-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.929 Å) | | Cite: | Resveratrol modulates the inflammatory response via an estrogen receptor-signal integration network.
Elife, 3, 2014
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2WYQ
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4LI8
 | | TANKYRASE-1 complexed with small molecule inhibitor 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide | | Descriptor: | 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide, SULFATE ION, Tankyrase-1, ... | | 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 (2.521 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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3TWV
 | | Crystal structure of ARC4 from human Tankyrase 2 in complex with peptide from human NUMA1 (chimeric peptide) | | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, SULFATE ION, ... | | Authors: | Guettler, S, Sicheri, F. | | Deposit date: | 2011-09-22 | | Release date: | 2011-12-07 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Structural basis and sequence rules for substrate recognition by tankyrase explain the basis for cherubism disease.
Cell(Cambridge,Mass.), 147, 2011
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4LJQ
 | | Crystal structure of the catalytic core of E3 ligase HOIP | | Descriptor: | E3 ubiquitin-protein ligase RNF31, ZINC ION | | Authors: | Stieglitz, B, Rana, R.R, Koliopoulos, M.G, Morris-Davies, A.C, Christodoulou, E, Howell, S, Brown, N.R, Rittinger, K. | | Deposit date: | 2013-07-05 | | Release date: | 2013-10-16 | | Last modified: | 2013-12-18 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural basis for ligase-specific conjugation of linear ubiquitin chains by HOIP.
Nature, 503, 2013
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4ZTH
 | | Structure of human p38aMAPK-arylpyridazinylpyridine fragment complex used in inhibitor discovery | | Descriptor: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 6-chloro-3-phenyl-4-(pyridin-4-yl)pyridazine, BETA-MERCAPTOETHANOL, ... | | Authors: | Grum-Tokars, V.L, Roy, S.M, Watterson, D.M. | | Deposit date: | 2015-05-14 | | Release date: | 2016-06-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A Selective and Brain Penetrant p38 alpha MAPK Inhibitor Candidate for Neurologic and Neuropsychiatric Disorders That Attenuates Neuroinflammation and Cognitive Dysfunction.
J.Med.Chem., 62, 2019
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4IUE
 | | Tankyrase in complex with 7-(2-fluorophenyl)-4-methyl-1,2-dihydroquinolin-2-one | | Descriptor: | 7-(2-fluorophenyl)-4-methylquinolin-2(1H)-one, SULFATE ION, Tankyrase-2, ... | | Authors: | Jansson, A.E, Larsson, E.A, Nordlund, P.L. | | Deposit date: | 2013-01-21 | | Release date: | 2013-06-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
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4IUV
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4PYH
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6M95
 | | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping: compound 1 | | Descriptor: | (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone, Mitogen-activated protein kinase 14 | | Authors: | Lane, W, Okada, K. | | Deposit date: | 2018-08-22 | | Release date: | 2019-04-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1.
Chemmedchem, 14, 2019
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3WHK
 | | Crystal structure of PAN-Rpt5C chimera | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Proteasome-activating nucleotidase, 26S protease regulatory subunit 6A | | Authors: | Satoh, T, Saeki, Y, Hiromoto, T, Wang, Y.-H, Uekusa, Y, Yagi, H, Yoshihara, H, Yagi-Utsumi, M, Mizushima, T, Tanaka, K, Kato, K. | | Deposit date: | 2013-08-26 | | Release date: | 2014-03-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for proteasome formation controlled by an assembly chaperone nas2.
Structure, 22, 2014
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4J3M
 | | Tankyrase 2 in complex with 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid | | Descriptor: | 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid, GLYCEROL, SULFATE ION, ... | | Authors: | Jansson, A.E, Larsson, E.A, Nordlund, P.L. | | Deposit date: | 2013-02-06 | | Release date: | 2013-06-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
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4BUD
 | | Crystal structure of human tankyrase 2 in complex with 2-(4-tert- butylphenyl)-1,4-dihydroquinazolin-4-one | | Descriptor: | 2-(4-tert-butylphenyl)-1,4-dihydroquinazolin-4-one, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2013-06-20 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
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4IUT
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6ALE
 | | A V-to-F substitution in SK2 channels causes Ca2+ hypersensitivity and improves locomotion in a C. elegans ALS model | | Descriptor: | (3E)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one, CALCIUM ION, Calmodulin-2, ... | | Authors: | Nam, Y.W, Zhang, M. | | Deposit date: | 2017-08-07 | | Release date: | 2018-08-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A V-to-F substitution in SK2 channels causes Ca2+hypersensitivity and improves locomotion in a C. elegans ALS model.
Sci Rep, 8, 2018
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4BU8
 | | Crystal structure of human tankyrase 2 in complex with 4-(4-oxo-1,4- dihydroquinazolin-2-yl)benzonitrile | | Descriptor: | 4-(4-OXO-1,4-DIHYDROQUINAZOLIN-2-YL)BENZONITRILE, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2013-06-20 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
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5AAR
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4CBR
 | | X-ray structure of the more stable human AGXT triple mutant (AGXT_HEM) | | Descriptor: | GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, SERINE--PYRUVATE AMINOTRANSFERASE | | Authors: | Yunta, C, Albert, A. | | Deposit date: | 2013-10-16 | | Release date: | 2014-07-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Consensus-Based Approach for Gene/Enzyme Replacement Therapies and Crystallization Strategies: The Case of Human Alanine:Glyoxylate Aminotransferase.
Biochem.J., 462, 2014
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