PDB: 71589 件ウェブページステータス検索Chemie searchBIRD

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4G1X	Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4-(1H-1,2,4-triazol-1-yl)quinolin-6-amine 分子名称: 4-(1H-1,2,4-triazol-1-yl)quinolin-6-amine, Cytochrome P450 121, DIMETHYL SULFOXIDE, ... 著者 Hudson, S.A. 登録日 2012-07-11 公開日 2012-09-05 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl., 51, 2012
4W9M	AMPPNP bound Rad50 in complex with dsDNA 分子名称: DNA (5'-D(*GP*GP*TP*CP*GP*GP*TP*CP*AP*CP*CP*GP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*CP*GP*GP*TP*GP*AP*CP*CP*GP*AP*CP*C)-3'), Exonuclease, ... 著者 Rojowska, A, Lammens, K. 登録日 2014-08-27 公開日 2015-01-14 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Structure of the Rad50 DNA double-strand break repair protein in complex with DNA. Embo J., 33, 2014
5VSK	Structure of DUB complex 分子名称: 7-chloro-3-({4-hydroxy-1-[(3S)-3-phenylbutanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION 著者 Seo, H.-Y, Dhe-Paganon, S. 登録日 2017-05-11 公開日 2017-12-20 最終更新日 2018-01-03 実験手法 X-RAY DIFFRACTION (3.33 Å) 主引用文献 Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7. Cell Chem Biol, 24, 2017
4G48	Structure of CYP121 in complex with 4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol 分子名称: 4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C. 登録日 2012-07-16 公開日 2012-09-05 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl., 51, 2012
5VY2	Crystal structure of the F36A mutant of HsNUDT16 分子名称: SODIUM ION, U8 snoRNA-decapping enzyme 著者 Thirawatananond, P, Gabelli, S.B. 登録日 2017-05-24 公開日 2018-11-21 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins. Sci Rep, 9, 2019
5AAC	Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib 分子名称: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR 著者 McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. 登録日 2015-07-23 公開日 2016-06-08 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F. N.Engl.J.Med., 374, 2016
4WD5	Crystal structure of EGFR 696-1022 T790M in complex with QL-X138 分子名称: CHLORIDE ION, Epidermal growth factor receptor, N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide 著者 Yun, C.H, Eck, M.J. 登録日 2014-09-07 公開日 2016-05-04 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Crystal structure of EGFR 696-1022 T790M in complex with QL-X138 To Be Published
4ZSQ	BACE crystal structure with tricyclic aminothiazine inhibitor 分子名称: Beta-secretase 1, GLYCEROL, N-[(4S,4aS,6S,8aR)-10-aminohexahydro-3H-4,8a-(epithiomethenoazeno)isochromen-6(1H)-yl]-3-chlorobenzamide 著者 Timm, D.E. 登録日 2015-05-13 公開日 2015-06-10 最終更新日 2015-06-17 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Preparation and biological evaluation of conformationally constrained BACE1 inhibitors. Bioorg.Med.Chem., 23, 2015
4WA9	The crystal structure of human abl1 wild type kinase domain in complex with axitinib 分子名称: AXITINIB, Tyrosine-protein kinase ABL1 著者 Johnson, E, McTigue, M, Cronin, C.N. 登録日 2014-08-28 公開日 2015-02-11 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Axitinib effectively inhibits BCR-ABL1(T315I) with a distinct binding conformation. Nature, 519, 2015
5AB4	Crystal structure of Trypanosoma brucei SCP2-thiolase like protein (TbSLP) form-I. 分子名称: SCP2-THIOLASE LIKE PROTEIN 著者 Harijan, R.K, Kiema, T.R, Wierenga, R.K. 登録日 2015-08-01 公開日 2016-05-04 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.751 Å) 主引用文献 The Scp2-Thiolase-Like Protein (Slp) of Trypanosoma Brucei is an Enzyme Involved in Lipid Metabolism. Proteins, 84, 2016
4WAU	Crystal structure of CENP-M solved by native-SAD phasing 分子名称: Centromere protein M 著者 Weinert, T, Basilico, F, Cecatiello, V, Pasqualato, S, Wang, M. 登録日 2014-09-01 公開日 2014-12-10 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Fast native-SAD phasing for routine macromolecular structure determination. Nat.Methods, 12, 2015
5AGS	Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct 3-(Aminomethyl)-4-bromo-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP 分子名称: 3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-MODIFIED ADENOSINE, LEUCYL-TRNA SYNTHETASE, METHIONINE 著者 Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. 登録日 2015-02-03 公開日 2016-03-09 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
4GMX	Crystal structure of KPT185 in complex with CRM1-Ran-RanBP1 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1, ... 著者 Sun, Q, Chook, Y.M. 登録日 2012-08-16 公開日 2012-10-17 最終更新日 2012-12-12 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Selective inhibitors of nuclear export show that CRM1/XPO1 is a target in chronic lymphocytic leukemia. Blood, 120, 2012
4WAB	Crystal structure of mPGES1 solved by native-SAD phasing 分子名称: 2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-N-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide, GLUTATHIONE, Prostaglandin E synthase,Leukotriene C4 synthase 著者 Weinert, T, Li, D, Howe, N, Caffrey, M, Wang, M. 登録日 2014-08-29 公開日 2014-12-10 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.704 Å) 主引用文献 Fast native-SAD phasing for routine macromolecular structure determination. Nat.Methods, 12, 2015
5A03	Crystal structure of aldose-aldose oxidoreductase from Caulobacter crescentus complexed with xylose 分子名称: 1,4-DIETHYLENE DIOXIDE, ALDOSE-ALDOSE OXIDOREDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Taberman, H, Rouvinen, J, Parkkinen, T. 登録日 2015-04-17 公開日 2015-10-21 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.848 Å) 主引用文献 Structure and Function of Caulobacter Crescentus Aldose-Aldose Oxidoreductase. Biochem.J., 472, 2015
5W86	CRYSTAL STRUCTURE OF JAK3 KINASE DOMAIN WITH A 4,6-DIAMINONICOTINAMIDE INHIBITOR (COMPOUND NUMBER 7) 分子名称: 4-(benzylamino)-6-({4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)pyridine-3-carboxamide, Tyrosine-protein kinase JAK3 著者 Sack, J.S. 登録日 2017-06-21 公開日 2017-10-11 最終更新日 2017-10-25 実験手法 X-RAY DIFFRACTION (2.61 Å) 主引用文献 Discovery and structure-based design of 4,6-diaminonicotinamides as potent and selective IRAK4 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
5WIH	Structure of New Delhi Metallo-Beta-lactamase 12 (NDM-12) 分子名称: Metallo-beta-lactamase NDM-12, ZINC ION 著者 VanPelt, J, Williams, C, Page, R.C. 登録日 2017-07-19 公開日 2017-10-18 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Clinical Variants of New Delhi Metallo-beta-Lactamase Are Evolving To Overcome Zinc Scarcity. Acs Infect Dis., 3, 2017
5WFS	70S ribosome-EF-Tu H84A complex with GTP and near-cognate tRNA (Complex C4) 分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... 著者 Fislage, M, Frank, J. 登録日 2017-07-12 公開日 2018-05-02 最終更新日 2024-03-13 実験手法 ELECTRON MICROSCOPY (3 Å) 主引用文献 Cryo-EM shows stages of initial codon selection on the ribosome by aa-tRNA in ternary complex with GTP and the GTPase-deficient EF-TuH84A. Nucleic Acids Res., 46, 2018
5WNS	Crystal Structure of 30S ribosomal subunit from Thermus thermophilus 分子名称: 16S Ribosomal RNA rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... 著者 DeMirci, H. 登録日 2017-08-01 公開日 2018-02-21 最終更新日 2020-10-21 実験手法 X-RAY DIFFRACTION (3.5 Å) 主引用文献 2'-O-methylation in mRNA disrupts tRNA decoding during translation elongation. Nat. Struct. Mol. Biol., 25, 2018
4ZSR	BACE crystal structure with tricyclic aminothiazine inhibitor 分子名称: Beta-secretase 1, N-[(4aS,6S,8aR)-2-amino-5,6,7,8-tetrahydro-4a,8a-(methanooxymethano)-3,1-benzothiazin-6(4H)-yl]-3-chlorobenzamide 著者 Timm, D.E. 登録日 2015-05-13 公開日 2015-06-10 最終更新日 2015-06-17 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Preparation and biological evaluation of conformationally constrained BACE1 inhibitors. Bioorg.Med.Chem., 23, 2015
5W8C	The structure of a COA-dependent acyl-homoserine lactone synthase, BjaI, with MTA and isovaleryl-CoA 分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Autoinducer synthase, CHLORIDE ION, ... 著者 Dong, S.-H, Nair, S.K. 登録日 2017-06-21 公開日 2017-08-23 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Molecular basis for the substrate specificity of quorum signal synthases. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W8D	The structure of a COA-dependent acyl-homoserine lactone synthase, BjaI, with MTA 分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Autoinducer synthase, GLYCEROL 著者 Dong, S.-H, Nair, S.K. 登録日 2017-06-21 公開日 2017-08-23 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Molecular basis for the substrate specificity of quorum signal synthases. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3T7C	Crystal structure of carveol dehydrogenase from Mycobacterium avium bound to NAD 分子名称: Carveol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2011-07-29 公開日 2011-08-17 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors. Sci Rep, 7, 2017
4ZSP	BACE crystal structure with bicyclic aminothiazine inhibitor 分子名称: Beta-secretase 1, GLYCEROL, N-[(4aS,6S,8aR)-2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl]-3-chlorobenzamide 著者 Timm, D.E. 登録日 2015-05-13 公開日 2015-06-10 最終更新日 2015-06-17 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Preparation and biological evaluation of conformationally constrained BACE1 inhibitors. Bioorg.Med.Chem., 23, 2015
4UW0	Low resolution structure of WbdD with C-terminal bundle ordered to residue 505 分子名称: S-ADENOSYLMETHIONINE, WBDD 著者 Hagelueken, G, Huang, H, Naismith, J.H. 登録日 2014-08-08 公開日 2014-08-27 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (3.87 Å) 主引用文献 A Coiled-Coil Domain Acts as a Molecular Ruler to Regulate O-Antigen Chain Length in Lipopolysaccharide. Nat.Struct.Mol.Biol., 22, 2015

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