4PV9
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![BU of 4pv9 by Molmil](/molmil-images/mine/4pv9) | Crystal Structure of H2Kb-Q600V complex | 分子名称: | ACETATE ION, Beta-2-microglobulin, GLYCEROL, ... | 著者 | Twist, K.-A, Rossjohn, J, Gras, S. | 登録日 | 2014-03-15 | 公開日 | 2014-04-23 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural and functional correlates of enhanced antiviral immunity generated by heteroclitic CD8 T cell epitopes. J.Immunol., 192, 2014
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4PH4
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![BU of 4ph4 by Molmil](/molmil-images/mine/4ph4) | The crystal structure of Human VPS34 in complex with PIK-III | 分子名称: | 4'-(cyclopropylmethyl)-N~2~-(pyridin-4-yl)-4,5'-bipyrimidine-2,2'-diamine, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3 | 著者 | Knapp, M.S, Elling, R.A. | 登録日 | 2014-05-04 | 公開日 | 2014-10-29 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Selective VPS34 inhibitor blocks autophagy and uncovers a role for NCOA4 in ferritin degradation and iron homeostasis in vivo. Nat.Cell Biol., 16, 2014
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4ZW1
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![BU of 4zw1 by Molmil](/molmil-images/mine/4zw1) | Crystal structure of hBRD4 in complex with BL-BI06 reveals a novel synthesized inhibitor that induces Beclin1-independent/ATG5-dependent autophagic cell death in breast cancer | 分子名称: | 1,2-ETHANEDIOL, 2-(4-hydroxy-3,5-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, Bromodomain-containing protein 4 | 著者 | Liu, B, Zhang, S, Guo, M, Tian, M. | 登録日 | 2015-05-19 | 公開日 | 2016-06-22 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Crystal structure of hBRD4 in complex with BL-BI06 reveals a novel synthesized inhibitor that induces Beclin1-independent/ATG5-dependent autophagic cell death in breast cancer To Be Published
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4PJ5
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4PJI
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4PNN
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![BU of 4pnn by Molmil](/molmil-images/mine/4pnn) | Crystal Structure of human Tankyrase 2 in complex with 4HQN. | 分子名称: | Tankyrase-2, ZINC ION, quinazolin-4(1H)-one | 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 | 2014-05-24 | 公開日 | 2014-10-15 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.65 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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4POJ
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![BU of 4poj by Molmil](/molmil-images/mine/4poj) | Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 7-methyl UAB30 and the coactivator peptide GRIP-1 | 分子名称: | (2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | 著者 | Xia, G, Smith, C.D, Muccio, D.D. | 登録日 | 2014-02-25 | 公開日 | 2014-06-18 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity. J.Med.Chem., 57, 2014
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4PSQ
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![BU of 4psq by Molmil](/molmil-images/mine/4psq) | Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with a non-retinoid ligand | 分子名称: | (1-benzyl-1H-imidazol-4-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone, 1,2-ETHANEDIOL, PHOSPHATE ION, ... | 著者 | Wang, Z, Johnstone, S, Walker, N. | 登録日 | 2014-03-07 | 公開日 | 2014-07-02 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure-assisted discovery of the first non-retinoid ligands for Retinol-Binding Protein 4. Bioorg.Med.Chem.Lett., 24, 2014
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5HPT
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4UWG
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![BU of 4uwg by Molmil](/molmil-images/mine/4uwg) | Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | 分子名称: | (8S)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SULFATE ION | 著者 | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | 登録日 | 2014-08-12 | 公開日 | 2014-11-26 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors. J.Med.Chem., 58, 2015
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4P38
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![BU of 4p38 by Molmil](/molmil-images/mine/4p38) | Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with AZD8329 | 分子名称: | 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid, CHLORIDE ION, Corticosteroid 11-beta-dehydrogenase isozyme 1, ... | 著者 | Ogg, D, Hargreaves, D, Gerhardt, S. | 登録日 | 2014-03-06 | 公開日 | 2014-04-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Novel acidic 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1) inhibitor with reduced acyl glucuronide liability: the discovery of 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid (AZD8329). J.Med.Chem., 55, 2012
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4P4J
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4PP7
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![BU of 4pp7 by Molmil](/molmil-images/mine/4pp7) | Highly Potent and Selective 3-N-methylquinazoline-4(3H)-one Based Inhibitors of B-RafV600E Kinase | 分子名称: | N-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | 著者 | Wenglowsky, S, Ren, L, Grina, J, Hansen, J.D, Laird, E.R, Moreno, D, Dinkel, V, Gloor, S.L, Hastings, G, Rana, S, Rasor, K, Sturgis, H.L, Voegtli, W.C, Vigers, G.P.A, Willis, B, Mathieu, S, Rudolph, J. | 登録日 | 2014-02-26 | 公開日 | 2014-04-09 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Highly potent and selective 3-N-methylquinazoline-4(3H)-one based inhibitors of B-Raf(V600E) kinase. Bioorg.Med.Chem.Lett., 24, 2014
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4V86
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4P7G
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![BU of 4p7g by Molmil](/molmil-images/mine/4p7g) | Rat apo-COMT, phosphate bound | 分子名称: | Catechol O-methyltransferase, PHOSPHATE ION, POTASSIUM ION | 著者 | Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2014-03-27 | 公開日 | 2014-06-18 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Mapping the conformational space accessible to catechol-O-methyltransferase. Acta Crystallogr.,Sect.D, 70, 2014
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4PUF
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![BU of 4puf by Molmil](/molmil-images/mine/4puf) | Complex between the Salmonella T3SS effector SlrP and its human target thioredoxin-1 | 分子名称: | E3 ubiquitin-protein ligase SlrP, Thioredoxin | 著者 | Zouhir, S, Bernal-Bayard, J, Cordero-Alba, M, Cardenal-Munoz, E, Guimaraes, B, Lazar, N, Ramos-Morales, F, Nessler, S. | 登録日 | 2014-03-13 | 公開日 | 2014-09-17 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.296 Å) | 主引用文献 | The structure of the Slrp-Trx1 complex sheds light on the autoinhibition mechanism of the type III secretion system effectors of the NEL family. Biochem.J., 464, 2014
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5HYD
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4W5I
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![BU of 4w5i by Molmil](/molmil-images/mine/4w5i) | Crystal structure of human tankyrase 2 in complex with 1-methyl-7-phenyl-1,2,3,4,5,6-hexahydro-1,6- naphthyridin-5-one | 分子名称: | 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1H)-one, GLYCEROL, SULFATE ION, ... | 著者 | Haikarainen, T, Lehtio, L. | 登録日 | 2014-08-18 | 公開日 | 2015-06-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure-based design, synthesis and evaluation in vitro of arylnaphthyridinones, arylpyridopyrimidinones and their tetrahydro derivatives as inhibitors of the tankyrases. Bioorg.Med.Chem., 23, 2015
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5HYN
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![BU of 5hyn by Molmil](/molmil-images/mine/5hyn) | Structure of Human Polycomb Repressive Complex 2 (PRC2) with oncogenic histone H3K27M peptide | 分子名称: | H3K27M, Histone-lysine N-methyltransferase EZH2, JARID2 K116me3, ... | 著者 | Zhang, Y, Justin, N, Wilson, J.R, Gamblin, S.J. | 登録日 | 2016-02-01 | 公開日 | 2016-05-11 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Structural basis of oncogenic histone H3K27M inhibition of human polycomb repressive complex 2. Nat Commun, 7, 2016
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4PGF
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![BU of 4pgf by Molmil](/molmil-images/mine/4pgf) | The structure of mono-acetylated SAHH | 分子名称: | ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Kavran, J.M, Wang, Y, Cole, P.A, Leahy, D.J. | 登録日 | 2014-05-01 | 公開日 | 2014-10-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Regulation of s-adenosylhomocysteine hydrolase by lysine acetylation. J.Biol.Chem., 289, 2014
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4PGZ
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![BU of 4pgz by Molmil](/molmil-images/mine/4pgz) | Structural basis of KIT activation by oncogenic mutations in the extracellular region reveals a zipper-like mechanism for ligand-dependent or oncogenic receptor tyrosine kinase activation | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Mast/stem cell growth factor receptor Kit | 著者 | Reshetnyak, A.V, Boggon, T.J, Lax, I, Schlessinger, J. | 登録日 | 2014-05-03 | 公開日 | 2015-03-18 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The strength and cooperativity of KIT ectodomain contacts determine normal ligand-dependent stimulation or oncogenic activation in cancer. Mol.Cell, 57, 2015
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5HVY
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![BU of 5hvy by Molmil](/molmil-images/mine/5hvy) | CDK8/CYCC IN COMPLEX WITH COMPOUND 20 | 分子名称: | CHLORIDE ION, Cyclin-C, Cyclin-dependent kinase 8, ... | 著者 | Kiefer, J.R, Schneider, E.V, Maskos, K, Bergeron, P, Koehler, M. | 登録日 | 2016-01-28 | 公開日 | 2016-04-20 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Design and Development of a Series of Potent and Selective Type II Inhibitors of CDK8. Acs Med.Chem.Lett., 7, 2016
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4W9Q
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![BU of 4w9q by Molmil](/molmil-images/mine/4w9q) | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one | 分子名称: | (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | 著者 | Pomplun, S, Wang, Y, Kirschner, K, Kozany, C, Bracher, A, Hausch, F. | 登録日 | 2014-08-27 | 公開日 | 2014-12-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs). Angew.Chem.Int.Ed.Engl., 54, 2015
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4W9X
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![BU of 4w9x by Molmil](/molmil-images/mine/4w9x) | Crystal Structure of BMP-2-inducible kinase in complex with baricitinib | 分子名称: | 1,2-ETHANEDIOL, BMP-2-inducible protein kinase, Baricitinib | 著者 | Sorrell, F.J, Elkins, J.M, Krojer, T, Williams, E, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2014-08-28 | 公開日 | 2014-09-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Family-wide Structural Analysis of Human Numb-Associated Protein Kinases. Structure, 24, 2016
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4ZZH
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![BU of 4zzh by Molmil](/molmil-images/mine/4zzh) | SIRT1/Activator Complex | 分子名称: | (4S)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2H)-carboxamide, NAD-dependent protein deacetylase sirtuin-1, ZINC ION | 著者 | Dai, H. | 登録日 | 2015-05-22 | 公開日 | 2015-07-15 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (3.1001 Å) | 主引用文献 | Crystallographic structure of a small molecule SIRT1 activator-enzyme complex. Nat Commun, 6, 2015
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