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

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4E0K	Crystal Structure of the amyloid-fibril forming peptide KDWSFY derived from human Beta 2 Microglobulin (58-63) 分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Amyloidogenic peptide segment KDWSFY, SODIUM ION 著者 Zhao, M, Liu, C, Sawaya, M.R, Eisenberg, D. 登録日 2012-03-04 公開日 2012-12-19 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (0.97 Å) 主引用文献 Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates. Proc.Natl.Acad.Sci.USA, 109, 2012
4E0O	SVQIVYK segment from human Tau (305-311) displayed on 54-membered macrocycle scaffold (form III) 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide SVQIVYK(ORN)EF(HAO)(4BF)K(ORN), PHOSPHATE ION 著者 Zhao, M, Liu, C, Sawaya, M.R, Eisenberg, D. 登録日 2012-03-04 公開日 2012-12-19 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates. Proc.Natl.Acad.Sci.USA, 109, 2012
4DEW	Crystal Structure of the Wild Type TTR Binding Luteolin (TTRwt:LUT) 分子名称: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, Transthyretin 著者 Trivella, D.B.B, Polikarpov, I. 登録日 2012-01-22 公開日 2012-11-21 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.899 Å) 主引用文献 Flavonoid interactions with human transthyretin: Combined structural and thermodynamic analysis. J.Struct.Biol., 180, 2012
4DKN	Crystal structure of amphioxus green fluorescent protein, GFPA1 分子名称: AMPHIOXUS GREEN FLUORESCENT PROTEIN, GFPA1 著者 Bomati, E.K, Deheyn, D.D. 登録日 2012-02-03 公開日 2013-05-15 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Fluorescent proteins in Amphioxus have strickingly different brightness, yet only few (but key) molecular differences To be Published
4DKV	Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-10007 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core, ... 著者 Kwon, Y.D, Debnath, A.K, Kwong, P.D. 登録日 2012-02-04 公開日 2013-03-20 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.1847 Å) 主引用文献 Binding mode characterization of NBD series CD4-mimetic HIV-1 entry inhibitors by X-ray structure and resistance study. Antimicrob. Agents Chemother., 58, 2014
4DKU	Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-09027 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core, ... 著者 Kwon, Y.D, Debnath, A.K, Kwong, P.D. 登録日 2012-02-04 公開日 2013-03-20 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.4902 Å) 主引用文献 Binding mode characterization of NBD series CD4-mimetic HIV-1 entry inhibitors by X-ray structure and resistance study. Antimicrob. Agents Chemother., 58, 2014
4E3M	Crystal structure of AmpC beta-lactamase in complex with a 2-chloro-4-tetrazolyl benzene sulfonamide boronic acid inhibitor 分子名称: Beta-lactamase, PHOSPHATE ION, [({[2-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid 著者 Eidam, O, Shoichet, B.K. 登録日 2012-03-09 公開日 2012-09-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
4ERO	Study on structure and function relationships in human Pirin with Cobalt ion 分子名称: 1,2-ETHANEDIOL, COBALT (II) ION, Pirin 著者 Liu, F, Rehmani, I, Fu, R, Esaka, S, Chen, L, Serrano, V, Liu, A. 登録日 2012-04-20 公開日 2013-05-29 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Pirin is an iron-dependent redox regulator of NF-kappa B. Proc.Natl.Acad.Sci.USA, 110, 2013
4EWS	Crystal structure of cholesteryl ester transfer protein in complex with inhibitors 分子名称: 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CETP, CHLORIDE ION, ... 著者 Liu, S, Qiu, X. 登録日 2012-04-27 公開日 2012-09-05 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.59 Å) 主引用文献 Crystal structures of cholesteryl ester transfer protein in complex with inhibitors. J.Biol.Chem., 287, 2012
4EO1	crystal structure of the TolA binding domain from the filamentous phage IKe 分子名称: Attachment protein G3P, MAGNESIUM ION 著者 Jakob, R.P, Geitner, A.J, Weininger, U, Balbach, J, Dobbek, H, Schmid, F.X. 登録日 2012-04-13 公開日 2012-05-30 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural and energetic basis of infection by the filamentous bacteriophage IKe. Mol.Microbiol., 84, 2012
4F6H	Mutagenesis of zinc ligand residue Cys221 reveals plasticity in the IMP-1 metallo-b-lactamase active site 分子名称: Beta-lactamase, PHOSPHATE ION, SULFATE ION, ... 著者 Horton, L.B, Shanker, S, Sankaran, B, Mikulski, R, Brown, N.G, Phillips, K, Lykissa, E, Prasad, B.V.V, Palzkill, T.G. 登録日 2012-05-14 公開日 2013-03-27 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.744 Å) 主引用文献 Mutagenesis of zinc ligand residue Cys221 reveals plasticity in the IMP-1 metallo-beta-lactamase active site Antimicrob.Agents Chemother., 56, 2012
4F49	2.25A resolution structure of Transmissible Gastroenteritis Virus Protease containing a covalently bound Dipeptidyl Inhibitor 分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL 著者 Lovell, S, Battaile, K.P, Kim, Y, Tiew, K.-C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O. 登録日 2012-05-10 公開日 2012-09-05 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses. J.Virol., 86, 2012
4F2A	Crystal structure of cholestryl esters transfer protein in complex with inhibitors 分子名称: (2R)-3-{[4-(4-chloro-3-ethylphenoxy)pyrimidin-2-yl][3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino}-1,1,1-trifluoropropan-2-ol, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHLORIDE ION, ... 著者 Liu, S, Qiu, X. 登録日 2012-05-07 公開日 2012-09-05 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (3.11 Å) 主引用文献 Crystal structures of cholesteryl ester transfer protein in complex with inhibitors. J.Biol.Chem., 287, 2012
4FCF	K234R: apo structure of inhibitor resistant beta-lactamase 分子名称: 2-AMINOETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE 著者 Rodkey, E.A, van den Akker, F. 登録日 2012-05-24 公開日 2012-12-26 最終更新日 2013-10-02 実験手法 X-RAY DIFFRACTION (1.09 Å) 主引用文献 Design and exploration of novel boronic acid inhibitors reveals important interactions with a clavulanic acid-resistant sulfhydryl-variable (SHV) beta-lactamase. J.Med.Chem., 56, 2013
4FEA	Crystal structure of CASPASE-7 in Complex with allosteric inhibitor 分子名称: Caspase-7, chloro{methyl hydrogenato(3-)-kappa~2~N,S [pyridin-2-yl(pyridin-2(1H)-ylidene-kappaN)methyl]carbonodithiohydrazonate}copper 著者 Kabaleeswaran, V. 登録日 2012-05-29 公開日 2012-08-01 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (3.79 Å) 主引用文献 A class of allosteric caspase inhibitors identified by high-throughput screening. Mol.Cell, 47, 2012
2FH5	The Structure of the Mammalian SRP Receptor 分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Signal recognition particle receptor alpha subunit, ... 著者 Schlenker, O, Wild, K, Sinning, I. 登録日 2005-12-23 公開日 2006-01-31 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 The structure of the mammalian signal recognition particle (SRP) receptor as prototype for the interaction of small GTPases with Longin domains. J.Biol.Chem., 281, 2006
2A25	Crystal structure of Siah1 SBD bound to the peptide EKPAAVVAPITTG from SIP 分子名称: Calcyclin-binding protein peptide, Ubiquitin ligase SIAH1, ZINC ION 著者 Santelli, E, Leone, M, Li, C, Fukushima, T, Preece, N.E, Olson, A.J, Ely, K.R, Reed, J.C, Pellecchia, M, Liddington, R.C, Matsuzawa, S. 登録日 2005-06-21 公開日 2005-08-09 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural Analysis of Siah1-Siah-interacting Protein Interactions and Insights into the Assembly of an E3 Ligase Multiprotein Complex J.Biol.Chem., 280, 2005
4CAR	Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((3-Fluorophenethylamino)methyl)quinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2013-10-08 公開日 2014-02-19 最終更新日 2014-03-12 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Simplified 2-Aminoquinoline-Based Scaffold for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition. J.Med.Chem., 57, 2014
4BQO	Structural insights into WcbI, a novel polysaccharide biosynthesis enzyme. Native protein without disulfide bond between COA and Cys14. 分子名称: BROMIDE ION, COENZYME A, DI(HYDROXYETHYL)ETHER, ... 著者 Vivoli, M, Ayres, E, Isupov, M.N, Harmer, N.J. 登録日 2013-05-31 公開日 2013-11-06 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 Structural Insights Into Wcbi, a Novel Polysaccharide-Biosynthesis Enzyme. Iucrj, 1, 2014
4BP1	Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 5'-Methylthioadenosine and Putrescine 分子名称: 1,4-DIAMINOBUTANE, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ... 著者 Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Persson, L. 登録日 2013-05-23 公開日 2014-06-04 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.17 Å) 主引用文献 Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design Acta Crystallogr.,Sect.D, 71, 2015
3PFV	Crystal structure of Cbl-b TKB domain in complex with EGFR pY1069 peptide 分子名称: 1,2-ETHANEDIOL, 11-meric peptide from Epidermal growth factor receptor, CHLORIDE ION, ... 著者 Chaikuad, A, Guo, K, Cooper, C.D.O, Ayinampudi, V, Krojer, T, Muniz, J.R.C, Vollmar, M, Canning, P, Gileadi, O, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) 登録日 2010-10-29 公開日 2010-12-08 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Crystal structure of Cbl-b TKB domain in complex with EGFR pY1069 peptide To be Published
4GJ3	Tyk2 (JH1) in complex with 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide 分子名称: 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2 著者 Ultsch, M.H. 登録日 2012-08-09 公開日 2013-05-29 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors. J.Med.Chem., 56, 2013
3QI3	Crystal structure of PDE9A(Q453E) in complex with inhibitor BAY73-6691 分子名称: 1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... 著者 Hou, J, Xu, J, Liu, M, Zhao, R, Lou, H, Ke, H. 登録日 2011-01-26 公開日 2011-04-27 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural asymmetry of phosphodiesterase-9, potential protonation of a glutamic Acid, and role of the invariant glutamine. Plos One, 6, 2011
4GA3	Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1260 分子名称: 1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1H-imidazol-3-ium, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... 著者 Liu, Y.-L, Zhang, Y, Oldfield, E. 登録日 2012-07-24 公開日 2013-05-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.39 Å) 主引用文献 Chemo-Immunotherapeutic Anti-Malarials Targeting Isoprenoid Biosynthesis. ACS MED.CHEM.LETT., 4, 2013
2AK5	beta PIX-SH3 complexed with a Cbl-b peptide 分子名称: 8-residue peptide from a signal transduction protein CBL-B, Rho guanine nucleotide exchange factor 7 著者 Jozic, D, Cardenes, N, Deribe, Y.L, Moncalian, G, Hoeller, D, Groemping, Y, Dikic, I, Rittinger, K, Bravo, J. 登録日 2005-08-03 公開日 2005-10-11 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Cbl promotes clustering of endocytic adaptor proteins. Nat.Struct.Mol.Biol., 12, 2005

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