PDB: 17012 件ウェブページステータス検索Chemie searchBIRD

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4WAG	Phosphatidylinositol 4-kinase III beta crystallized with MI103 inhibitor 分子名称: 6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta 著者 Chalupska, D, Boura, E. 登録日 2014-08-29 公開日 2015-05-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (3.407 Å) 主引用文献 Highly Selective Phosphatidylinositol 4-Kinase III beta Inhibitors and Structural Insight into Their Mode of Action. J.Med.Chem., 58, 2015
4WBI	Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutations H230Q and H309Q 分子名称: 2',3'-cyclic-nucleotide 3'-phosphodiesterase 著者 Myllykoski, M, Raasakka, A, Kursula, P. 登録日 2014-09-03 公開日 2015-09-23 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase. Sci Rep, 5, 2015
4PJD	Structure of human MR1-5-OP-RU in complex with human MAIT C-C10 TCR 分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... 著者 Birkinshaw, R.W, Rossjohn, J. 登録日 2014-05-12 公開日 2014-07-02 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.78 Å) 主引用文献 A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells. J.Exp.Med., 211, 2014
4PKD	U1-70k in complex with U1 snRNA stem-loops 1 and U1-A RRM in complex with stem-loop 2 分子名称: IMIDAZOLE, MAGNESIUM ION, U1 small nuclear ribonucleoprotein A,U1 small nuclear ribonucleoprotein 70 kDa, ... 著者 Oubridge, C, Kondo, Y, van Roon, A.M, Nagai, K. 登録日 2014-05-14 公開日 2014-12-31 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystal structure of human U1 snRNP, a small nuclear ribonucleoprotein particle, reveals the mechanism of 5' splice site recognition. Elife, 4, 2015
4PJC	Structure of human MR1-5-OP-RU in complex with human MAIT C-A11 TCR 分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-2-microglobulin, ... 著者 Birkinshaw, R.W, Rossjohn, J. 登録日 2014-05-12 公開日 2014-07-02 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells. J.Exp.Med., 211, 2014
4URY	The crystal structure of H-Ras and SOS in complex with ligands 分子名称: GTPASE HRAS, N-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide, SON OF SEVENLESS HOMOLOG 1 著者 Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. 登録日 2014-07-02 公開日 2015-03-04 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.47 Å) 主引用文献 Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
4USU	Crystal structure of human soluble Adenylyl Cyclase in complex with alpha,beta-methyleneadenosine-5'-triphosphate 分子名称: 1,2-ETHANEDIOL, ADENYLATE CYCLASE TYPE 10, CALCIUM ION, ... 著者 Kleinboelting, S, Steegborn, C. 登録日 2014-07-13 公開日 2014-07-30 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structural Analysis of Human Soluble Adenylyl Cyclase and Crystal Structures of its Nucleotide Complexes -Implications for Cyclase Catalysis and Evolution. FEBS J., 281, 2014
4PLD	Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, in its apo State Bound to a Fragment of Human TIF-2 分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 著者 Musille, P.M, Ortlund, E.A. 登録日 2014-05-16 公開日 2015-12-16 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Unexpected Allosteric Network Contributes to LRH-1 Co-regulator Selectivity. J.Biol.Chem., 291, 2016
4PML	Crystal Structure of human Tankyrase 2 in complex with 3-amino-benzamide. 分子名称: 1,2-ETHANEDIOL, 3-aminobenzamide, DIMETHYL SULFOXIDE, ... 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 2014-05-22 公開日 2014-10-15 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.87 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
4PNL	Crystal structure of TNKS-2 in complex with DR2313. 分子名称: 1,2-ETHANEDIOL, 2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... 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 2014-05-23 公開日 2014-10-15 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.5 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
5ADS	Crystal structure of human tankyrase 2 in complex with OD39 分子名称: BICARBONATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... 著者 Haikarainen, T, Lehtio, L. 登録日 2015-08-24 公開日 2016-01-13 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Development and Structural Analysis of Adenosine Site Binding Tankyrase Inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
5HWL	Human glutathione s-transferase Mu2 complexed with BDEA, monoclinic crystal form 分子名称: GLUTATHIONE, Glutathione S-transferase Mu 2, N,N'-(butane-1,4-diyl)bis{2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetamide} 著者 Zhang, X, Wei, J, Wu, S, Zhang, H.P, Luo, M, Yang, X.L, Liao, F, Wang, D.Q. 登録日 2016-01-29 公開日 2017-11-08 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Human glutathione s-transferase Mu2 complexed with BDEA, monoclinic crystal form To Be Published
5HOC	p73 homo-tetramerization domain mutant II 分子名称: Tumor protein p73 著者 Coutandin, D, Krojer, T, Salah, E, Mathea, S, Sumyk, M, Knapp, S, Dotsch, V. 登録日 2016-01-19 公開日 2016-10-19 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.36007786 Å) 主引用文献 Mechanism of TAp73 inhibition by Delta Np63 and structural basis of p63/p73 hetero-tetramerization. Cell Death Differ., 23, 2016
4ZZI	SIRT1/Activator/Inhibitor Complex 分子名称: (3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, 4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide, NAD-dependent protein deacetylase sirtuin-1, ... 著者 Dai, H. 登録日 2015-05-22 公開日 2015-07-15 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.7346 Å) 主引用文献 Crystallographic structure of a small molecule SIRT1 activator-enzyme complex. Nat Commun, 6, 2015
5HPL	System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: Rsp5 and UbV R5.4 分子名称: Rsp5, Ubiquitin variant R5.4 著者 Wu, K.-P, Kamadurai, H.B, Schulman, B.A. 登録日 2016-01-20 公開日 2016-03-16 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.31 Å) 主引用文献 System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes. Mol.Cell, 62, 2016
5A8F	Structure and genome release mechanism of human cardiovirus Saffold virus-3 分子名称: GENOME POLYPHUMAN SAFFOLD VIRUS-3 VP3 PROTEIN, HUMAN SAFFOLD VIRUS-3 VP1, HUMAN SAFFOLD VIRUS-3 VP2 著者 Mullapudi, E, Novacek, J, Palkova, L, Kulich, P, Lindberg, M, vanKuppeveld, F.J.M, Plevka, P. 登録日 2015-07-15 公開日 2016-06-08 最終更新日 2019-10-30 実験手法 ELECTRON MICROSCOPY (10.6 Å) 主引用文献 Structure and Genome Release Mechanism of Human Cardiovirus Saffold Virus-3. J.Virol., 90, 2016
4WB2	Crystal structure of the mirror-image L-RNA/L-DNA aptamer NOX-D20 in complex with mouse C5a complement anaphylatoxin 分子名称: ACETATE ION, CALCIUM ION, Complement C5, ... 著者 Yatime, L, Maasch, C, Hoehlig, K, Klussmann, S, Vater, A, Andersen, G.R. 登録日 2014-09-02 公開日 2015-05-06 最終更新日 2023-07-26 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural basis for the targeting of complement anaphylatoxin C5a using a mixed L-RNA/L-DNA aptamer. Nat Commun, 6, 2015
5HQ7	Crystal structure of fragment bound with Brd4 分子名称: Bromodomain-containing protein 4, N-ethyl-6,7-dimethoxyquinazolin-4-amine 著者 Chen, T.T, Xu, Y.C. 登録日 2016-01-21 公開日 2017-01-25 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of fragment bound with Brd4 to be published
5HQE	Crystal structure of human dihydroorotate dehydrogenase (DHODH) with compound 18T 分子名称: ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... 著者 Huang, J, Wu, D, Lu, Q. 登録日 2016-01-21 公開日 2016-07-27 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18T at 1.62 A resolution To Be Published
4P6E	Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor 分子名称: Cathepsin S, N-[(8R)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide, SULFATE ION 著者 Wang, Y, Jadhav, P.K, Deng, G.G. 登録日 2014-03-24 公開日 2014-10-29 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery of Cathepsin S Inhibitor LY3000328 for the Treatment of Abdominal Aortic Aneurysm. Acs Med.Chem.Lett., 5, 2014
5A5Q	Crystal structure of human ATAD2 bromodomain in complex with 3-methyl- 8-piperidin-4-ylamino-1,2-dihydro-1,7-naphthyridin-2-one hydrochloride 分子名称: 1,2-ETHANEDIOL, 3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ... 著者 Chung, C, Bamborough, P, Demont, E. 登録日 2015-06-20 公開日 2015-07-22 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors. J.Med.Chem., 58, 2015
4WAE	Phosphatidylinositol 4-kinase III beta crystallized with ATP 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta 著者 Chalupska, D, Boura, E. 登録日 2014-08-29 公開日 2015-05-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (3.318 Å) 主引用文献 Highly Selective Phosphatidylinositol 4-Kinase III beta Inhibitors and Structural Insight into Their Mode of Action. J.Med.Chem., 58, 2015
4WCB	Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation H309Q 分子名称: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, CHLORIDE ION 著者 Myllykoski, M, Raasakka, A, Kursula, P. 登録日 2014-09-04 公開日 2015-09-23 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase. Sci Rep, 5, 2015
4ZUT	Crystal structure of Equine MHC I(Eqca-N*00602) in complexed with equine infectious anaemia virus (EIAV) derived peptide Gag-GW12 分子名称: Beta-2-microglobulin, Classical MHC class I antigen, GLY-SER-GLN-LYS-LEU-THR-THR-GLY-ASN-CYS-ASN-TRP 著者 Yao, S, Liu, J, Qi, J, Chen, R, Zhang, N, Liu, Y, Xia, C. 登録日 2015-05-17 公開日 2016-04-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structural Illumination of Equine MHC Class I Molecules Highlights Unconventional Epitope Presentation Manner That Is Evolved in Equine Leukocyte Antigen Alleles J Immunol., 196, 2016
5AFV	Pharmacophore-based virtual screening to discover new active compounds for human choline kinase alpha1. 分子名称: 1,2-ETHANEDIOL, 1-benzyl-4-(benzylamino)-1H-1,2,4-triazol-4-ium, CHOLINE KINASE ALPHA 著者 Serran-Aguilera, L, Nuti, R, Lopez-Cara, L.C, Gallo Mezo, M.A, Macchiarulo, A, Entrena, A, Hurtado-Guerrero, R. 登録日 2015-01-26 公開日 2015-03-18 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Pharmacophore-Based Virtual Screening to Discover New Active Compounds for Human Choline Kinase Alpha1 Mol Inform, 34, 2015

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