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

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3JQ6	Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 6,7-bis(1-methylethyl)pteridine-2,4-diamine (DX1) 分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6,7-bis(1-methylethyl)pteridine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Tulloch, L.B, Hunter, W.N. 登録日 2009-09-06 公開日 2009-12-08 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53, 2010
3JQE	Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (DX8) 分子名称: 2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Tulloch, L.B, Hunter, W.N. 登録日 2009-09-06 公開日 2009-12-08 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53, 2010
2XF3	Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway 分子名称: (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, ORF12 著者 Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J. 登録日 2010-05-20 公開日 2011-06-29 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway. Acta Crystallogr. D Biol. Crystallogr., 69, 2013
3KO3	D-tyrosyl-tRNA(Tyr) deacylase from Plasmodium falciparum incomplex with ADP, obtained through soaking native enzyme crystal with the ATP 分子名称: ADENOSINE-5'-DIPHOSPHATE, D-tyrosyl-tRNA(Tyr) deacylase 著者 Manickam, Y, Bhatt, T.K, Sharma, A. 登録日 2009-11-13 公開日 2009-12-08 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Ligand-bound Structures Provide Atomic Snapshots for the Catalytic Mechanism of D-Amino Acid Deacylase J.Biol.Chem., 285, 2010
3KOD	DTD from Plasmodium falciparum in complex with D-Serine 分子名称: D-SERINE, D-tyrosyl-tRNA(Tyr) deacylase 著者 Manickam, Y, Bhatt, T.K, Sharma, A. 登録日 2009-11-13 公開日 2009-12-08 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Ligand-bound Structures Provide Atomic Snapshots for the Catalytic Mechanism of D-Amino Acid Deacylase J.Biol.Chem., 285, 2010
3G2K	Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazole 分子名称: 1-beta-D-glucopyranosyl-4-naphthalen-2-yl-1H-1,2,3-triazole, Glycogen phosphorylase, muscle form 著者 Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L. 登録日 2009-01-31 公開日 2010-02-16 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case Tetrahedron: Asymmetry, 20, 2009
2XYL	CELLULOMONAS FIMI XYLANASE/CELLULASE COMPLEXED WITH 2-DEOXY-2-FLUORO-XYLOBIOSE 分子名称: BETA-1,4-GLYCANASE, beta-D-xylopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-xylopyranose 著者 Monem, V, Birsan, C, Warren, R.A.J, Withers, S.G, Rose, D.R. 登録日 1997-11-20 公開日 1998-03-18 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Exploring the cellulose/xylan specificity of the beta-1,4-glycanase cex from Cellulomonas fimi through crystallography and mutation. Biochemistry, 37, 1998
3KP5	Staphylococcus epidermidis TcaR in complex with kanamycin 分子名称: KANAMYCIN A, Transcriptional regulator TcaR 著者 Chang, Y.M, Chen, C.K, Wang, A.H. 登録日 2009-11-15 公開日 2010-06-09 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structural study of TcaR and its complexes with multiple antibiotics from Staphylococcus epidermidis. Proc.Natl.Acad.Sci.USA, 107, 2010
2RPH	RecT-bound ssDNA 分子名称: DNA (5'-D(*DTP*DAP*DCP*DG)-3') 著者 Masuda, T, Ito, Y, Shibata, T, Mikawa, T. 登録日 2008-05-15 公開日 2009-05-26 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 A non-canonical DNA structure enables homologous recombination in various genetic systems J.Biol.Chem., 284, 2009
2RPE	hsRad51-bound ssDNA 分子名称: DNA (5'-D(*DTP*DAP*DCP*DG)-3') 著者 Masuda, T, Ito, Y, Shibata, T, Mikawa, T. 登録日 2008-05-15 公開日 2009-05-26 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 A non-canonical DNA structure enables homologous recombination in various genetic systems J.Biol.Chem., 284, 2009
3G2H	Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazoles in complex with glycogen phosphorylase 分子名称: 1-beta-D-glucopyranosyl-4-phenyl-1H-1,2,3-triazole, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... 著者 Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L. 登録日 2009-01-31 公開日 2010-02-16 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case Tetrahedron: Asymmetry, 20, 2009
3G76	Crystal structure of XIAP-BIR3 in complex with a bivalent compound 分子名称: 1,1'-{hexa-2,4-diyne-1,6-diylbis[oxy{(2S,3R)-2-[(N-methyl-L-alanyl)amino]-1-oxobutane-3,1-diyl}(2S)pyrrolidine-1,2-diylmethanediyl]}bis[5-(phenylsulfanyl)-1H-tetrazole], Baculoviral IAP repeat-containing protein 4, ZINC ION 著者 Cossu, F, Milani, M, Mastrangelo, E, Bolognesi, M. 登録日 2009-02-09 公開日 2009-05-12 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structural basis for bivalent smac-mimetics recognition in the IAP protein family J.Mol.Biol., 392, 2009
3G2I	Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazole 分子名称: 1-beta-D-glucopyranosyl-4-(hydroxymethyl)-1H-1,2,3-triazole, Glycogen phosphorylase, muscle form 著者 Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L. 登録日 2009-01-31 公開日 2010-02-16 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case Tetrahedron: Asymmetry, 20, 2009
2XSA	OgOGA apostructure 分子名称: CHLORIDE ION, HYALURONOGLUCOSAMINIDASE 著者 Schuttelkopf, A.W, van Aalten, D.M.F. 登録日 2010-09-27 公開日 2011-03-23 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Human Oga Binds Substrates in a Conserved Peptide Recognition Groove. Biochem.J., 432, 2010
2XRA	crystal structure of the HK20 Fab in complex with a gp41 mimetic 5- Helix 分子名称: HK20, HUMAN MONOCLONAL ANTIBODY HEAVY CHAIN, HUMAN MONOCLONAL ANTIBODY LIGHT CHAIN, ... 著者 Sabin, C, Corti, D, Buzon, V, Seaman, M.S, Lutje Hulsik, D, Hinz, A, Vanzetta, F, Agatic, G, Silacci, C, Langedijk, J.P.M, Mainetti, L, Scarlatti, G, Sallusto, F, Weiss, R, Lanzavecchia, A, Weissenhorn, W. 登録日 2010-09-13 公開日 2010-12-15 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structure and size-dependent neutralization properties of HK20, a human monoclonal antibody binding to the highly conserved heptad repeat 1 of gp41. PLoS Pathog., 6, 2010
2XYH	Caspase-3:CAS60254719 分子名称: 5-CHLORO-4-OXOPENTANOIC ACID, CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17 著者 Ganesan, R, Jelakovic, S, Grutter, M.G, Mittl, P.R. 登録日 2010-11-17 公開日 2011-08-17 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 In Silico Identification and Crystal Structure Validation of Caspase-3 Inhibitors without a P1 Aspartic Acid Moiety. Acta Crystallogr.,Sect.F, 67, 2011
2XFT	Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway 分子名称: GLYCEROL, ORF12 著者 Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J. 登録日 2010-05-26 公開日 2011-06-29 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway. Acta Crystallogr. D Biol. Crystallogr., 69, 2013
3J2J	Empty coxsackievirus A9 capsid 分子名称: Protein VP1, Protein VP2, Protein VP3 著者 Shakeel, S, Seitsonen, J.J.T, Kajander, T, Laurinmaki, P, Hyypia, T, Susi, P, Butcher, S.J. 登録日 2012-10-04 公開日 2013-07-17 最終更新日 2024-02-21 実験手法 ELECTRON MICROSCOPY (9.54 Å) 主引用文献 Structural and functional analysis of coxsackievirus A9 integrin {alpha}v{beta}6 binding and uncoating. J.Virol., 87, 2013
3JZR	Human MDM2 liganded with a 12mer peptide inhibitor (pDI6W) 分子名称: E3 ubiquitin-protein ligase Mdm2, pDI6W peptide (12mer) 著者 Schonbrunn, E, Phan, J. 登録日 2009-09-24 公開日 2009-11-10 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX. J.Biol.Chem., 285, 2010
2W3Q	Structure and inhibition of the CO2-sensing carbonic anhydrase Can2 from the pathogenic fungus Cryptococcus neoformans 分子名称: CARBONIC ANHYDRASE 2, CHLORIDE ION, ZINC ION 著者 Schlicker, C, Hall, R.A, Vullo, D, Middelhaufe, S, Gertz, M, Supuran, C.T, Muehlschlegel, F.A, Steegborn, C. 登録日 2008-11-14 公開日 2008-12-30 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.34 Å) 主引用文献 Structure and Inhibition of the Co(2)-Sensing Carbonic Anhydrase Can2 from the Pathogenic Fungus Cryptococcus Neoformans. J.Mol.Biol., 385, 2009
3FVX	Human kynurenine aminotransferase I in complex with tris 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Kynurenine--oxoglutarate transaminase 1, SODIUM ION 著者 Han, Q, Robinson, H, Cai, T, Tagle, D.A, Li, J. 登録日 2009-01-16 公開日 2009-05-19 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structural insight into the inhibition of human kynurenine aminotransferase I/glutamine transaminase K J.Med.Chem., 52, 2009
2VUK	Structure of the p53 core domain mutant Y220C bound to the stabilizing small-molecule drug PhiKan083 分子名称: 1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine, CELLULAR TUMOR ANTIGEN P53, ZINC ION 著者 Joerger, A.C, Boeckler, F.M, Fersht, A.R. 登録日 2008-05-26 公開日 2008-07-22 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Targeted Rescue of a Destabilized Mutant of P53 by an in Silico Screened Drug. Proc.Natl.Acad.Sci.USA, 105, 2008
3G2J	Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazoles in complex with glycogen phosphorylase 分子名称: Glycogen phosphorylase, muscle form, N-(hydroxyacetyl)-beta-D-glucopyranosylamine 著者 Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L. 登録日 2009-01-31 公開日 2010-02-16 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.14 Å) 主引用文献 Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case Tetrahedron: Asymmetry, 20, 2009
2W6I	Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: Hydration State 4B. 分子名称: ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, MITOCHONDRIAL, ATP SYNTHASE SUBUNIT BETA, ... 著者 Sanchez-Weatherby, J, Felisaz, F, Gobbo, A, Huet, J, Ravelli, R.B.G, Bowler, M.W, Cipriani, F. 登録日 2008-12-18 公開日 2009-10-27 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (4 Å) 主引用文献 Improving diffraction by humidity control: a novel device compatible with X-ray beamlines. Acta Crystallogr. D Biol. Crystallogr., 65, 2009
3HKY	HCV NS5B polymerase genotype 1b in complex with 1,5 benzodiazepine 6 分子名称: (11S)-10-[(2,5-dimethyl-1,3-oxazol-4-yl)carbonyl]-11-{2-fluoro-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide, CHLORIDE ION, RNA-directed RNA polymerase, ... 著者 Nyanguile, O, De Bondt, H.L. 登録日 2009-05-26 公開日 2010-05-26 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 1a/1b subtype profiling of nonnucleoside polymerase inhibitors of hepatitis C virus J.Virol., 84, 2010

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