4LJP
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![BU of 4ljp by Molmil](/molmil-images/mine/4ljp) | Structure of an active ligase (HOIP-H889A)/ubiquitin transfer complex | 分子名称: | E3 ubiquitin-protein ligase RNF31, Polyubiquitin-C, ZINC ION | 著者 | Rana, R.R, Stieglitz, B, Koliopoulos, M.G, Morris-Davies, A.C, Christodoulou, E, Howell, S, Brown, N.R, Rittinger, K. | 登録日 | 2013-07-05 | 公開日 | 2013-10-16 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural basis for ligase-specific conjugation of linear ubiquitin chains by HOIP. Nature, 503, 2013
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5JJY
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![BU of 5jjy by Molmil](/molmil-images/mine/5jjy) | Crystal structure of SETD2 bound to histone H3.3 K36M peptide | 分子名称: | Histone H3.3, Histone-lysine N-methyltransferase SETD2, S-ADENOSYL-L-HOMOCYSTEINE, ... | 著者 | Yang, S, Zheng, X, Li, H. | 登録日 | 2016-04-25 | 公開日 | 2016-11-02 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.053 Å) | 主引用文献 | Molecular basis for oncohistone H3 recognition by SETD2 methyltransferase Genes Dev., 30, 2016
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4L34
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![BU of 4l34 by Molmil](/molmil-images/mine/4l34) | Tankyrase 2 in complex with 4'-tetrazole flavone | 分子名称: | 2-[4-(1H-tetrazol-5-yl)phenyl]-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Narwal, M, Haikarainen, T, Lehtio, L. | 登録日 | 2013-06-05 | 公開日 | 2013-10-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4L53
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![BU of 4l53 by Molmil](/molmil-images/mine/4l53) | Crystal Structure of (1R,4R)-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexan-1-ol bound to TAK1-TAB1 | 分子名称: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, ... | 著者 | Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M. | 登録日 | 2013-06-10 | 公開日 | 2013-07-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Discovery of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1: Optimization of kinase selectivity and pharmacokinetics. Bioorg.Med.Chem.Lett., 23, 2013
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4L6Q
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![BU of 4l6q by Molmil](/molmil-images/mine/4l6q) | ROCK2 in complex with benzoxaborole | 分子名称: | 6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3H)-ol, Rho-associated protein kinase 2 | 著者 | Rock, F, Jarnagin, K. | 登録日 | 2013-06-12 | 公開日 | 2013-10-02 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | 主引用文献 | Linking phenotype to kinase: identification of a novel benzoxaborole hinge-binding motif for kinase inhibition and development of high-potency rho kinase inhibitors. J.Pharmacol.Exp.Ther., 347, 2013
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7V8G
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![BU of 7v8g by Molmil](/molmil-images/mine/7v8g) | |
3FLS
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![BU of 3fls by Molmil](/molmil-images/mine/3fls) | |
3FLZ
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7V99
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![BU of 7v99 by Molmil](/molmil-images/mine/7v99) | catalytic core of human telomerase holoenzyme | 分子名称: | Histone H2A type 1-B/E, Histone H2B type 1-K, Primer DNA, ... | 著者 | Wan, F, Ding, Y, Yang, L, Wu, Z, Wu, J, Lei, M. | 登録日 | 2021-08-24 | 公開日 | 2022-03-30 | 実験手法 | ELECTRON MICROSCOPY (3.54 Å) | 主引用文献 | Zipper head mechanism of telomere synthesis by human telomerase. Cell Res., 31, 2021
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7V8F
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![BU of 7v8f by Molmil](/molmil-images/mine/7v8f) | Crystal structure of UBE2L3 bound to HOIP RING1 domain. | 分子名称: | E3 ubiquitin-protein ligase RNF31, Ubiquitin-conjugating enzyme E2 L3, ZINC ION | 著者 | Liu, J, Wang, Y, Pan, L. | 登録日 | 2021-08-22 | 公開日 | 2022-03-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Mechanistic insights into the subversion of the linear ubiquitin chain assembly complex by the E3 ligase IpaH1.4 of Shigella flexneri. Proc.Natl.Acad.Sci.USA, 119, 2022
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7V96
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![BU of 7v96 by Molmil](/molmil-images/mine/7v96) | Telomeric Dinucleosome | 分子名称: | DNA (275-mer), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | 著者 | Soman, A. | 登録日 | 2021-08-24 | 公開日 | 2022-07-27 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (3.92 Å) | 主引用文献 | Columnar structure of human telomeric chromatin. Nature, 609, 2022
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4KZQ
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![BU of 4kzq by Molmil](/molmil-images/mine/4kzq) | Crystal structure of human tankyrase 2 in complex with 4' -hydroxy flavone | 分子名称: | 2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, SULFATE ION, Tankyrase-2, ... | 著者 | Narwal, M, Haikarainen, T, Lehtio, L. | 登録日 | 2013-05-30 | 公開日 | 2013-10-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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7VCQ
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3FQG
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![BU of 3fqg by Molmil](/molmil-images/mine/3fqg) | Crystal Structure of the S. pombe Rai1 | 分子名称: | MAGNESIUM ION, Protein din1 | 著者 | Xiang, S, Tong, L. | 登録日 | 2009-01-07 | 公開日 | 2009-02-03 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure and function of the 5'-->3' exoribonuclease Rat1 and its activating partner Rai1. Nature, 458, 2009
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5AL1
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![BU of 5al1 by Molmil](/molmil-images/mine/5al1) | Crystal structure of TNKS2 in complex with 2-(4-tert-butylphenyl)-1H, 2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one | 分子名称: | 2-(4-TERT-BUTYLPHENYL)-1H,2H,3H,4H-PYRIDO(2,3-D)PYRIMIDIN-4-ONE, GLYCEROL, SULFATE ION, ... | 著者 | Nkizinkiko, Y, Lehtio, L. | 登録日 | 2015-03-06 | 公開日 | 2015-07-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics. Bioorg.Med.Chem., 23, 2015
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2X2R
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![BU of 2x2r by Molmil](/molmil-images/mine/2x2r) | Crystal structure of human kinesin Eg5 in complex with (R)-2-amino-3-((4-chlorophenyl)diphenylmethylthio)propanoic acid | 分子名称: | (2R)-2-AMINO-3-[(2R)-2-METHYL-1,1-DIPHENYL-BUTYL]SULFANYL-PROPANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ... | 著者 | Kaan, H.Y.K, Weiss, J, Menger, D, Ulaganathan, V, Laggner, C, Popowycz, F, Joseph, B, Kozielski, F. | 登録日 | 2010-01-15 | 公開日 | 2011-01-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure-Activity Relationship and Multidrug Resistance Study of New S-Trityl-L-Cysteine Derivatives as Inhibitors of Eg5. J.Med.Chem., 54, 2011
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5AGW
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![BU of 5agw by Molmil](/molmil-images/mine/5agw) | Bcl-2 alpha beta-1 complex | 分子名称: | APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1, BCL-2-LIKE PROTEIN 11 | 著者 | Smith, B.J, F Lee, E, Checco, J.W, Gellman, S.H, Fairlie, W.D. | 登録日 | 2015-02-04 | 公開日 | 2015-09-09 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.695 Å) | 主引用文献 | Alpha Beta Peptide Foldamers Targeting Intracellular Protein-Protein Interactions with Activity on Living Cells J.Am.Chem.Soc., 137, 2015
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5X1W
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![BU of 5x1w by Molmil](/molmil-images/mine/5x1w) | PKM2 in complex with compound 5 | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4-[2,3-bis(chloranyl)phenyl]carbonyl-N-[2-[[4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrol-2-yl]carbonylamino]ethyl]-1-methyl-pyrrole-2-carboxamide, Pyruvate kinase PKM | 著者 | Matsui, Y, Hanzawa, H. | 登録日 | 2017-01-27 | 公開日 | 2017-05-31 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | 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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4RPB
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3FC1
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![BU of 3fc1 by Molmil](/molmil-images/mine/3fc1) | Crystal structure of p38 kinase bound to pyrimido-pyridazinone inhibitor | 分子名称: | 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one, CHLORIDE ION, Mitogen-activated protein kinase 14 | 著者 | Jacobs, M.D, Bellon, S. | 登録日 | 2008-11-20 | 公開日 | 2008-12-09 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Evaluating the molecular mechanics poisson-boltzmann surface area free energy method using a congeneric series of ligands to p38 MAP kinase. J.Med.Chem., 48, 2005
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4KIN
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4TJW
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![BU of 4tjw by Molmil](/molmil-images/mine/4tjw) | Crystal Structure of human Tankyrase 2 in complex with PJ-34. | 分子名称: | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, Tankyrase-2, ZINC ION | 著者 | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | 登録日 | 2014-05-25 | 公開日 | 2014-10-15 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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4TKG
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![BU of 4tkg by Molmil](/molmil-images/mine/4tkg) | Crystal Structure of human Tankyrase 2 in complex with AZD2281. | 分子名称: | 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, GLYCEROL, Tankyrase-2, ... | 著者 | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | 登録日 | 2014-05-26 | 公開日 | 2014-10-15 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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4KRS
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![BU of 4krs by Molmil](/molmil-images/mine/4krs) | Tankyrase-1 complexed with small molecule inhibitor | 分子名称: | 4-tert-butyl-N-(5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)benzamide, SULFATE ION, Tankyrase-1, ... | 著者 | Stams, T, Kirby, C. | 登録日 | 2013-05-17 | 公開日 | 2013-08-28 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Structure-Efficiency Relationship of [1,2,4]Triazol-3-ylamines as Novel Nicotinamide Isosteres that Inhibit Tankyrases. J.Med.Chem., 56, 2013
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3FLW
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![BU of 3flw by Molmil](/molmil-images/mine/3flw) | P38 kinase crystal structure in complex with pamapimod | 分子名称: | 6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxyethyl)propyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14 | 著者 | Kuglstatter, A, Ghate, M. | 登録日 | 2008-12-19 | 公開日 | 2009-12-22 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase To be Published
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