PDB: 12060 件ウェブページステータス検索Chemie searchBIRD

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2MG8	Solution structure of TFF1 Estrogen Response Element complexed with DNA Bis-intercalating Anticancer Drug XR5944 (MLN944) 分子名称: 1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-10-IUM, 5'-D(*AP*GP*GP*TP*CP*AP*CP*GP*GP*TP*GP*GP*CP*CP*A)-3', 5'-D(*TP*GP*GP*CP*CP*AP*CP*CP*GP*TP*GP*AP*CP*CP*T)-3' 著者 Lin, C. 登録日 2013-10-30 公開日 2014-04-23 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 Solution structure of a 2:1 complex of anticancer drug XR5944 with TFF1 estrogen response element: insights into DNA recognition by a bis-intercalator. Nucleic Acids Res., 42, 2014
5B7B	Crystal structure of Nucleoprotein-nucleozin complex 分子名称: Nucleoprotein, [4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone 著者 Pang, B, Zhang, W.Z, Zhang, H.M, Hao, Q. 登録日 2016-06-06 公開日 2016-07-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structural Characterization of H1N1 Nucleoprotein-Nucleozin Binding Sites Sci Rep, 6, 2016
4XS4	Salmonella typhimurium AhpC C165S mutant 分子名称: Alkyl hydroperoxide reductase subunit C, POTASSIUM ION 著者 Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. 登録日 2015-01-21 公開日 2016-01-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Experimentally Dissecting the Origins of Peroxiredoxin Catalysis. Antioxid.Redox Signal., 28, 2018
4Y24	Complex of human Galectin-1 and TD-139 分子名称: 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, Galectin-1 著者 Lin, H.Y, Hsieh, T.J, Lin, C.H. 登録日 2015-02-09 公開日 2016-04-27 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.32 Å) 主引用文献 Dual thio-digalactoside-binding modes of human galectins as the structural basis for the design of potent and selective inhibitors. Sci Rep, 6, 2016
4Y2X	Structure of soluble epoxide hydrolase in complex with 2-({[2-(adamantan-1-yl)ethyl]amino}methyl)phenol 分子名称: 2-[({2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethyl}amino)methyl]phenol, Bifunctional epoxide hydrolase 2, MAGNESIUM ION 著者 Amano, Y, Yamaguchi, T. 登録日 2015-02-10 公開日 2015-05-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening Bioorg.Med.Chem., 23, 2015
5BUG	Crystal structure of human phosphatase PTEN oxidized by H2O2 分子名称: L(+)-TARTARIC ACID, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN 著者 Lee, C.-U, Bier, D, Hennig, S, Grossmann, T.N. 登録日 2015-06-03 公開日 2015-10-07 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Redox Modulation of PTEN Phosphatase Activity by Hydrogen Peroxide and Bisperoxidovanadium Complexes. Angew.Chem.Int.Ed.Engl., 54, 2015
3W6W	Crystal structure of melB holo-protyrosinase from Asperugillus oryzae 分子名称: COPPER (II) ION, Tyrosinase 著者 Fujieda, N, Yabuta, S, Ikeda, T, Oyama, T, Muraki, N, Kurisu, G, Itoh, S. 登録日 2013-02-22 公開日 2013-06-19 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.394 Å) 主引用文献 Crystal structures of copper-depleted and copper-bound fungal pro-tyrosinase: insights into endogenous cysteine-dependent copper incorporation. J.Biol.Chem., 288, 2013
5BRO	Crystal structure of modified HexB (modB) 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase subunit beta, FORMIC ACID, ... 著者 Kitakaze, K, Maita, N, Itoh, K. 登録日 2015-06-01 公開日 2016-05-04 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Protease-resistant modified human beta-hexosaminidase B ameliorates symptoms in GM2 gangliosidosis model. J.Clin.Invest., 126, 2016
4Y00	Crystal Structure of Human TDP-43 RRM1 Domain with D169G Mutation in Complex with an Unmodified Single-stranded DNA 分子名称: DNA (5'-D(P*TP*TP*GP*AP*GP*CP*GP*T)-3'), TAR DNA-binding protein 43 著者 Chiang, C.H, Kuo, P.H, Yang, W.Z, Yuan, H.S. 登録日 2015-02-05 公開日 2016-02-10 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structural analysis of disease-related TDP-43 D169G mutation: linking enhanced stability and caspase cleavage efficiency to protein accumulation Sci Rep, 6, 2016
5BUU	Crystal structure of the GluA2 ligand-binding domain (L483Y-N754S) in complex with glutamate and BPAM-321 at 2.07 A resolution 分子名称: (3R)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, 1,2-ETHANEDIOL, GLUTAMIC ACID, ... 著者 Larsen, A.P, Tapken, D, Frydenvang, K, Kastrup, J.S. 登録日 2015-06-04 公開日 2016-02-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Synthesis and Pharmacology of Mono-, Di-, and Trialkyl-Substituted 7-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides Combined with X-ray Structure Analysis to Understand the Unexpected Structure-Activity Relationship at AMPA Receptors. Acs Chem Neurosci, 7, 2016
2MMM	Solution structure of the mature form, GK cecropin-like peptide from Ae. aegypti mosquito 分子名称: K cecropin-like peptide 著者 Padilla, A, Misse, D. 登録日 2014-03-16 公開日 2015-01-28 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Aedesin: structure and antimicrobial activity against multidrug resistant bacterial strains. Plos One, 9, 2014
4XY2	Crystal structure of PDE10A in complex with ASP9436 分子名称: 1-methyl-5-(1-methyl-3-{[4-(1-methyl-1H-benzimidazol-4-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one, MAGNESIUM ION, ZINC ION, ... 著者 Amano, Y, Honbou, K. 登録日 2015-02-02 公開日 2015-06-17 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Addressing phototoxicity observed in a novel series of biaryl derivatives: Discovery of potent, selective and orally active phosphodiesterase 10A inhibitor ASP9436 Bioorg.Med.Chem., 23, 2015
4Y0V	Structure of an ADP ribosylation factor from Entamoeba histolytica HM-1:IMSS bound to Mg-GDP 分子名称: ADP-ribosylation factor 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2015-02-06 公開日 2015-03-04 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure of an ADP-ribosylation factor, ARF1, from Entamoeba histolytica bound to Mg(2+)-GDP. Acta Crystallogr.,Sect.F, 71, 2015
2M3N	Peptide leucine arginine 分子名称: Peptide leucine arginine 著者 Polte, T. 登録日 2013-01-23 公開日 2013-09-11 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 Therapeutic potential of the Peptide leucine arginine as a new nonplant bowman-birk-like serine protease inhibitor. J.Med.Chem., 56, 2013
4XFY	Structure of the native full-length dehydrated HIV-1 capsid protein 分子名称: CHLORIDE ION, HIV-1 capsid protein, PENTAETHYLENE GLYCOL 著者 Gres, A.T, Kirby, K.A, Sarafianos, S.G. 登録日 2014-12-29 公開日 2015-06-10 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 STRUCTURAL VIROLOGY. X-ray crystal structures of native HIV-1 capsid protein reveal conformational variability. Science, 349, 2015
4Y29	Identification of a novel PPARg ligand that regulates metabolism 分子名称: 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, Peptide from Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma 著者 Wang, R, Li, Y. 登録日 2015-02-09 公開日 2015-09-09 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Selective targeting of PPAR gamma by the natural product chelerythrine with a unique binding mode and improved antidiabetic potency. Sci Rep, 5, 2015
4Y2Y	Structure of soluble epoxide hydrolase in complex with 2-(2-fluorophenyl)-N-[(5-methyl-2-thienyl)methyl]ethanamine 分子名称: 2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine, Bifunctional epoxide hydrolase 2, MAGNESIUM ION 著者 Amano, Y, Yamaguchi, T. 登録日 2015-02-10 公開日 2015-05-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening Bioorg.Med.Chem., 23, 2015
7W47	Crystal structure of the gastric proton pump complexed with tegoprazan 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Potassium-transporting ATPase alpha chain 1, ... 著者 Abe, K, Tanaka, S, Morita, M, Yamagishi, T. 登録日 2021-11-26 公開日 2022-01-05 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structural Basis for Binding of Potassium-Competitive Acid Blockers to the Gastric Proton Pump. J.Med.Chem., 65, 2022
7W48	Crystal structure of the gastric proton pump complexed with PF-03716556 分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... 著者 Abe, K, Tanaka, S. 登録日 2021-11-26 公開日 2022-01-05 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (3.5 Å) 主引用文献 Structural Basis for Binding of Potassium-Competitive Acid Blockers to the Gastric Proton Pump. J.Med.Chem., 65, 2022
7W49	Crystal structure of the gastric proton pump complexed with soraprazan 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Potassium-transporting ATPase alpha chain 1, ... 著者 Abe, K, Tanaka, S. 登録日 2021-11-26 公開日 2022-01-05 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Structural Basis for Binding of Potassium-Competitive Acid Blockers to the Gastric Proton Pump. J.Med.Chem., 65, 2022
5APH	Ligand complex of RORg LBD 分子名称: DIMETHYL SULFOXIDE, N-(2-FLUOROPHENYL)-4-[(4-FLUOROPHENYL)SULFONYL]-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-6-AMINE, NUCLEAR RECEPTOR COACTIVATOR 2, ... 著者 Xue, Y, Aagaard, A, Narjes, F. 登録日 2015-09-16 公開日 2015-11-25 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma. ChemMedChem, 11, 2016
5ANS	Potent and selective inhibitors of MTH1 probe its role in cancer cell survival 分子名称: 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE 著者 Kettle, J.G, Alwan, H, Bista, M, Breed, J, Kack, H, Eckersley, K, Foote, K.M, Fillery, S, Goodwin, L, Jones, D, Lau, A, Nissink, J.W.M, Read, J, Scott, J, Taylor, B, Walker, G, Wissler, L. 登録日 2015-09-08 公開日 2016-03-02 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival. J.Med.Chem., 59, 2016
5ANW	MTH1 in complex with compound 24 分子名称: 2-[4-(2-AMINOQUINAZOLIN-4-YL)PHENYL]-N,N-DIMETHYL-ACETAMIDE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE 著者 Read, J.A, Breed, J. 登録日 2015-09-08 公開日 2016-03-02 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival. J.Med.Chem., 59, 2016
5ANU	MTH1 in complex with compound 15 分子名称: 13-(METHYLAMINO)-23,24,25-TRIOXA-17,18,19,21-TETRAZATETRACYCLO-TRICOSA-1(3),2(10),4(11),12(14),13(18),16(19)-HEXAN-15-ONE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, DIMETHYL SULFOXIDE 著者 Read, J.A, Breed, J. 登録日 2015-09-08 公開日 2016-03-02 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival. J.Med.Chem., 59, 2016
4XUF	Crystal structure of the FLT3 kinase domain bound to the inhibitor quizartinib (AC220) 分子名称: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea, Receptor-type tyrosine-protein kinase FLT3 著者 Zorn, J.A, Wang, Q, Fujimura, E, Barros, T, Kuriyan, J. 登録日 2015-01-25 公開日 2015-04-15 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Crystal Structure of the FLT3 Kinase Domain Bound to the Inhibitor Quizartinib (AC220). Plos One, 10, 2015

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