PDB: 45522 件ウェブページステータス検索Chemie searchBIRD

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3VC4	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design 分子名称: (5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione, IMIDAZOLE, Serine/threonine-protein kinase pim-1 著者 Liu, J. 登録日 2012-01-03 公開日 2012-03-21 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
3VN9	Rifined Crystal structure of non-phosphorylated MAP2K6 in a putative auto-inhibition state 分子名称: 9-{5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-beta-L-ribofuranosyl}-9H-purin-6-amine, Dual specificity mitogen-activated protein kinase kinase 6, MAGNESIUM ION 著者 Kinoshita, T, Matsuzaka, H, Nakai, R, Kirii, Y, Yokota, K, Tada, T, Matsumoto, T. 登録日 2012-01-05 公開日 2012-02-29 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Crystal structure of non-phosphorylated MAP2K6 in a putative auto-inhibition state J.Biochem., 151, 2012
3LBJ	Structure of human MDMX protein in complex with a small molecule inhibitor 分子名称: N-[(3S)-1-({6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-1H-indol-2-yl}carbonyl)pyrrolidin-3-yl]-N,N',N'-trimethylpropane-1,3-diamine, Protein Mdm4, SULFATE ION 著者 Popowicz, G.M, Czarna, A, Wolf, S, Holak, T.A. 登録日 2010-01-08 公開日 2010-03-16 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structures of low molecular weight inhibitors bound to MDMX and MDM2 reveal new approaches for p53-MDMX/MDM2 antagonist drug discovery Cell Cycle, 9, 2010
3L8A	Crystal structure of MetC from Streptococcus mutans 分子名称: PYRIDOXAL-5'-PHOSPHATE, Putative aminotransferase, probable beta-cystathionase 著者 Wang, X.J, Fu, T.M, Su, X.D. 登録日 2009-12-30 公開日 2011-01-12 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.539 Å) 主引用文献 Crystal structure of MetC from Streptococcus mutans To be Published
3W05	Crystal structure of Oryza sativa DWARF14 (D14) in complex with PMSF 分子名称: 1,2-ETHANEDIOL, Dwarf 88 esterase, phenylmethanesulfonic acid 著者 Kagiyama, M, Hirano, Y, Mori, T, Kim, S.Y, Kyozuka, J, Seto, Y, Yamaguchi, S, Hakoshima, T. 登録日 2012-10-19 公開日 2013-01-23 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Structures of D14 and D14L in the strigolactone and karrikin signaling pathways Genes Cells, 18, 2013
3W0T	Human Glyoxalase I with an N-hydroxypyridone derivative inhibitor 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lactoylglutathione lyase, N-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide, ... 著者 Fukami, T.A, Irie, M, Matsuura, T. 登録日 2012-11-02 公開日 2013-11-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.351 Å) 主引用文献 N-Hydroxypyridone-based glyoxalase I inhibitors mimicking binding interactions of the substrate To be Published
3LH2	Crystal structure of HIV epitope-scaffold 4E10_1VI7A_S0_002_N 4E10 Fv complex 分子名称: 4E10_1VI7A_S0_002_N (T88), Fv 4E10 heavy chain, Fv 4E10 light chain 著者 Holmes, M.A. 登録日 2010-01-21 公開日 2010-09-22 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Computational Design of Epitope-Scaffolds Allows Induction of Antibodies Specific for a Poorly Immunogenic HIV Vaccine Epitope. Structure, 18, 2010
3LDO	Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with AMPPNP 分子名称: 78 kDa glucose-regulated protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER 著者 Dokurno, P, Surgenor, A.E, Shaw, T, Macias, A.T, Massey, A.J, Williamson, D.S. 登録日 2010-01-13 公開日 2011-01-26 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Adenosine-Derived Inhibitors of 78 kDa Glucose Regulated Protein (Grp78) ATPase: Insights into Isoform Selectivity. J.Med.Chem., 54, 2011
3LQY	Crystal structure of putative isochorismatase hydrolase from Oleispira antarctica 分子名称: GLYCEROL, putative isochorismatase hydrolase 著者 Goral, A, Chruszcz, M, Kagan, O, Cymborowski, M, Savchenko, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) 登録日 2010-02-10 公開日 2010-03-16 最終更新日 2022-04-13 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Crystal structure of a putative isochorismatase hydrolase from Oleispira antarctica. J.Struct.Funct.Genom., 13, 2012
3LS4	Crystal Structure of Anti-tetrahydrocannabinol Fab Fragment in Complex with THC 分子名称: (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, Heavy chain of antibody Fab fragment, Light chain of antibody Fab fragment 著者 Niemi, M.H, Rouvinen, J. 登録日 2010-02-12 公開日 2010-06-02 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 A structural insight into the molecular recognition of a (-)-Delta9-tetrahydrocannabinol and the development of a sensitive, one-step, homogeneous immunocomplex-based assay for its detection J.Mol.Biol., 400, 2010
3LEH	The Crystal Structure of smu.943c from Streptococcus mutans UA159 分子名称: NITRATE ION, Putative hydroxymethylglutaryl-CoA synthase 著者 Su, X.-D, Liu, Y.H, Liu, X. 登録日 2010-01-14 公開日 2011-01-19 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 The Crystal Structure of smu.943c from Streptococcus mutans UA159 TO BE PUBLISHED
3LSX	Piracetam bound to the ligand binding domain of GluA3 分子名称: 2-(2-oxopyrrolidin-1-yl)acetamide, GLUTAMIC ACID, GluA3 S1S2 domain, ... 著者 Ahmed, A.H, Oswald, R.E. 登録日 2010-02-13 公開日 2011-03-16 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.006 Å) 主引用文献 Piracetam Defines a New Binding Site for Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazole-propionic Acid (AMPA) Receptors. J.Med.Chem., 53, 2010
3VF8	Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Pyrazolylbenzimidazole Inhibitor 416 分子名称: 3-[5-(5-ethoxy-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,1-diethylurea, Tyrosine-protein kinase SYK 著者 McLean, L.R, Zhang, Y. 登録日 2012-01-09 公開日 2012-05-02 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase. Bioorg.Med.Chem.Lett., 22, 2012
3LTH	E. cloacae MurA dead-end complex with UNAG and fosfomycin 分子名称: UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, [(1R)-1-hydroxypropyl]phosphonic acid 著者 Schonbrunn, E. 登録日 2010-02-15 公開日 2010-05-05 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 The fungal product terreic acid is a covalent inhibitor of the bacterial cell wall biosynthetic enzyme UDP-N-acetylglucosamine 1-carboxyvinyltransferase (MurA) . Biochemistry, 49, 2010
3LGF	Crystal structure of the 53BP1 tandem tudor domain in complex with p53K370me2 分子名称: DIMETHYLATED p53 Lysine 370 PEPTIDE, SULFATE ION, TRIETHYLENE GLYCOL, ... 著者 Roy, S, Kutateladze, T.G. 登録日 2010-01-20 公開日 2010-03-23 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structural insight into p53 recognition by the 53BP1 tandem Tudor domain. J.Mol.Biol., 398, 2010
3LGL	Crystal structure of the 53BP1 tandem tudor domain in complex with p53K382me2 分子名称: DIMETHYLATED p53 LYSINE 382 PEPTIDE, SULFATE ION, TRIETHYLENE GLYCOL, ... 著者 Roy, S, Kutateladze, T.G. 登録日 2010-01-20 公開日 2010-03-23 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural insight into p53 recognition by the 53BP1 tandem Tudor domain. J.Mol.Biol., 398, 2010
3V93	unliganded structure of TcrPDEC1 catalytic domain 分子名称: Cyclic nucleotide specific phosphodiesterase, MAGNESIUM ION, ZINC ION 著者 Wang, H, Kunz, S, Chen, G, Seebeck, T, Wan, Y, Robinson, H, Martinelli, S, Ke, H. 登録日 2011-12-23 公開日 2012-02-22 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Biological and structural characterization of Trypanosoma cruzi phosphodiesterase C and Implications for design of parasite selective inhibitors. J.Biol.Chem., 287, 2012
3LNY	Second PDZ domain from human PTP1E in complex with RA-GEF2 peptide 分子名称: Rap guanine nucleotide exchange factor 6, SULFATE ION, THIOCYANATE ION, ... 著者 Zhang, J, Chang, A, Ke, H, Phillips Jr, G.N, Lee, A.L, Center for Eukaryotic Structural Genomics (CESG) 登録日 2010-02-03 公開日 2010-03-23 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Crystallographic and nuclear magnetic resonance evaluation of the impact of peptide binding to the second PDZ domain of protein tyrosine phosphatase 1E. Biochemistry, 49, 2010
3LJ0	IRE1 complexed with ADP and Quercetin 分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Lee, K.P.K, Sicheri, F. 登録日 2010-01-25 公開日 2010-05-12 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Flavonol activation defines an unanticipated ligand-binding site in the kinase-RNase domain of IRE1. Mol.Cell, 38, 2010
3VMR	Crystal structure of Staphylococcus aureus membrane-bound transglycosylase in complex with moenomycin 分子名称: MOENOMYCIN, Monofunctional glycosyltransferase 著者 Huang, C.Y, Shih, H.W, Lin, L.Y, Tien, Y.W, Cheng, T.J.R, Cheng, W.C, Wong, C.H, Ma, C. 登録日 2011-12-15 公開日 2012-04-18 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (3.688 Å) 主引用文献 Crystal structure of Staphylococcus aureus transglycosylase in complex with a lipid II analog and elucidation of peptidoglycan synthesis mechanism Proc.Natl.Acad.Sci.USA, 109, 2012
3LMM	Crystal Structure of the DIP2311 protein from Corynebacterium diphtheriae, Northeast Structural Genomics Consortium Target CdR35 分子名称: CHLORIDE ION, COBALT (II) ION, Uncharacterized protein 著者 Forouhar, F, Lew, S, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Buchwald, W.A, Maglaqui, M, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) 登録日 2010-01-31 公開日 2010-02-16 最終更新日 2019-07-17 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Northeast Structural Genomics Consortium Target CdR35 To be Published
3LTN	Inhibitor-stabilized topoisomerase IV-DNA cleavage complex (S. pneumoniae) 分子名称: 3-amino-7-{(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1H,3H)-dione, 5'-D(*AP*CP*CP*AP*AP*GP*GP*T*CP*AP*TP*GP*AP*AP*T)-3', 5'-D(*CP*TP*GP*TP*TP*TP*TP*A*CP*GP*TP*GP*CP*AP*T)-3', ... 著者 Laponogov, I, Pan, X.-S, Veselkov, D.A, McAuley, K.E, Fisher, L.M, Sanderson, M.R. 登録日 2010-02-16 公開日 2010-05-05 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Structural Basis of Gate-DNA Breakage and Resealing by Type II Topoisomerases Plos One, 5, 2010
3LSF	Piracetam bound to the ligand binding domain of GluA2 分子名称: 2-(2-oxopyrrolidin-1-yl)acetamide, GLUTAMIC ACID, Glutamate receptor 2, ... 著者 Ahmed, A.H, Ptak, C.P, Oswald, R.E. 登録日 2010-02-12 公開日 2010-03-16 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.851 Å) 主引用文献 Piracetam Defines a New Binding Site for Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazole-propionic Acid (AMPA) Receptors. J.Med.Chem., 53, 2010
3VHZ	Crystal structure of the trans isomer of the L93A mutant of bacteriorhodopsin 分子名称: 2,3-DI-PHYTANYL-GLYCEROL, 3-O-sulfo-beta-D-galactopyranose-(1-6)-alpha-D-mannopyranose-(1-2)-alpha-D-glucopyranose, Bacteriorhodopsin, ... 著者 Kouyama, T, Zhang, J. 登録日 2011-09-13 公開日 2012-06-13 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structure of the O intermediate of the Leu93Ala mutant of bacteriorhodopsin Proteins, 80, 2012
3LVX	Crystal structure of human alpha-defensin 1 (I6A mutant) 分子名称: GLYCEROL, Neutrophil defensin 1, SULFATE ION 著者 Pazgier, M, Lu, W. 登録日 2010-02-22 公開日 2010-03-09 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Trp-26 imparts functional versatility to human alpha-defensin HNP1. J.Biol.Chem., 285, 2010

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