PDB: 66507 件ウェブページステータス検索Chemie searchBIRD

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4DHS	Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening 分子名称: (2-{2-[(3,5-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 PROTEIN SIGMA, CHLORIDE ION, ... 著者 Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. 登録日 2012-01-30 公開日 2013-07-31 最終更新日 2013-09-04 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
3DVI	Crystal structure of kappa 1 amyloidogenic light chain variable domain 分子名称: Amyloidogenic light chain variable domain AL-103 著者 Thompson, J.R, Randles, E.G, Ramirez-Alvarado, M. 登録日 2008-07-18 公開日 2009-05-12 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Structural alterations within native amyloidogenic immunoglobulin light chains. J.Mol.Biol., 389, 2009
4DNY	Crystal structure of enterohemorrhagic E. coli StcE(132-251) 分子名称: IODIDE ION, Metalloprotease stcE 著者 Yu, A.C.Y, Strynadka, N.C.J. 登録日 2012-02-09 公開日 2012-05-16 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 Structural Insight into the Bacterial Mucinase StcE Essential to Adhesion and Immune Evasion during Enterohemorrhagic E. coli Infection. Structure, 20, 2012
4M3M	Influenza Neuraminidase in complex with a stereomutated analogue of Oseltamivir carboxylate 分子名称: (3R,4S,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... 著者 Kerry, P.S. 登録日 2013-08-06 公開日 2014-02-12 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Synthesis, structure and inhibitory activity of a stereoisomer of oseltamivir carboxylate. Org.Biomol.Chem., 12, 2014
4EGP	The X-ray crystal structure of CYP199A4 in complex with 2-naphthoic acid 分子名称: CHLORIDE ION, Cytochrome P450, GLYCEROL, ... 著者 Zhou, W, Bell, S.G, Yang, W, Zhou, R.M, Tan, A.B.H, Wong, L.-L. 登録日 2012-03-31 公開日 2013-02-20 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Investigation of the substrate range of CYP199A4: modification of the partition between hydroxylation and desaturation activities by substrate and protein engineering Chemistry, 18, 2012
8U7F	Crystal structure of CIB_12 beta-galactosidase from Cuniculiplasma divulgatum 分子名称: CIB_12 Beta-galactosidase, GLYCEROL 著者 Stogios, P.J, Skarina, T, Di Leo, R, Yakunin, A, Golyshin, P, Savchenko, A. 登録日 2023-09-15 公開日 2024-07-24 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Crystal structure of CIB_12 beta-galactosidase from Cuniculiplasma divulgatum To Be Published
8U7G	Crystal structure of CIB_13 beta-galactosidase from Cuniculiplasma divulgatum 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CIB_13 Beta-galactosidase, GLYCEROL 著者 Stogios, P.J. 登録日 2023-09-15 公開日 2024-07-24 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 Crystal structure of CIB_13 beta-galactosidase from Cuniculiplasma divulgatum To Be Published
4LU3	The crystal structure of the human carbonic anhydrase XIV 分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 14, GLYCEROL, ... 著者 Alterio, V, De Simone, G, Monti, S.M. 登録日 2013-07-24 公開日 2014-01-01 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The structural comparison between membrane-associated human carbonic anhydrases provides insights into drug design of selective inhibitors. Biopolymers, 101, 2014
4NI0	Quaternary R3 CO-liganded hemoglobin structure in complex with a thiol containing compound 分子名称: 5-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, CARBON MONOXIDE, Hemoglobin subunit alpha, ... 著者 Safo, M.K, Meadows, J, Ko, T.-P, Nakagawa, A, Zapol, W. 登録日 2013-11-05 公開日 2014-08-20 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Identification of a Small Molecule that Increases Hemoglobin Oxygen Affinity and Reduces SS Erythrocyte Sickling. Acs Chem.Biol., 9, 2014
1DAT	CUBIC CRYSTAL STRUCTURE RECOMBINANT HORSE L APOFERRITIN 分子名称: CADMIUM ION, L FERRITIN 著者 Gallois, B, Granier, T, Langlois D'Estaintot, B, Crichton, R.R, Roland, F. 登録日 1996-11-14 公開日 1997-03-12 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 X-ray structure of recombinant horse L-chain apoferritin at 2.0 angstrom resolution: Implications for stability and function. J.Biol.Inorg.Chem., 2, 1997
4EQC	Crystal structure of PAK1 kinase domain in complex with FRAX597 inhibitor 分子名称: 6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, CHLORIDE ION, Serine/threonine-protein kinase PAK 1 著者 Maksimoska, J, Marmorstein, R. 登録日 2012-04-18 公開日 2013-08-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 FRAX597, a Small Molecule Inhibitor of the p21-activated Kinases, Inhibits Tumorigenesis of Neurofibromatosis Type 2 (NF2)-associated Schwannomas. J.Biol.Chem., 288, 2013
4NG6	The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates 分子名称: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ... 著者 Tsoumpra, M.K, Muniz, J.R.C, Barnett, B.L, Pilka, E, Kwaasi, A.A, Kavanagh, K.L, Evdokimov, A, Walter, R.L, Ebetino, F.H, Oppermann, U, Russell, R.G.G, Dunford, J.E. 登録日 2013-11-01 公開日 2014-11-19 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates TO BE PUBLISHED
4NI1	Quaternary R CO-liganded hemoglobin structure in complex with a thiol containing compound 分子名称: 5-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, CARBON MONOXIDE, Hemoglobin subunit alpha, ... 著者 Safo, M.K, Meadows, J, Ko, T.-P, Nakagawa, A, Zapol, W. 登録日 2013-11-05 公開日 2014-09-17 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Identification of a Small Molecule that Increases Hemoglobin Oxygen Affinity and Reduces SS Erythrocyte Sickling. Acs Chem.Biol., 9, 2014
4D5F	tetracycline repressor class H, apo form 分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ... 著者 Palm, G.J, Quast, J, Hinrichs, W. 登録日 2014-11-04 公開日 2016-01-20 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Domain Movement in Tetracycline Repressor Classes To be Published
4CWP	Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor 分子名称: 5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA 著者 Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. 登録日 2014-04-03 公開日 2014-07-09 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
4CO9	Crystal structure of kynurenine formamidase from Bacillus anthracis 分子名称: 1,4-DIETHYLENE DIOXIDE, KYNURENINE FORMAMIDASE, MAGNESIUM ION, ... 著者 Diaz-Saez, L, Srikannathasan, V, Zoltner, M, Hunter, W.N. 登録日 2014-01-27 公開日 2014-04-02 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structure of Bacterial Kynurenine Formamidase Reveals a Crowded Binuclear-Zinc Catalytic Site Primed to Generate a Potent Nucleophile. Biochem.J., 462, 2014
3NEA	Crystal Structure of Peptidyl-tRNA hydrolase from Francisella tularensis 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Peptidyl-tRNA hydrolase 著者 Lam, R, McGrath, T.E, Romanov, V, Gothe, S.A, Peddi, S.R, Razumova, E, Lipman, R.S, Branstrom, A.A, Chirgadze, N.Y. 登録日 2010-06-08 公開日 2011-06-15 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Structure of Francisella tularensis peptidyl-tRNA hydrolase. Acta Crystallogr.,Sect.F, 67, 2011
4CMK	Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 分子名称: 2-amino-5-phenethyl-6-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Barrack, K.L, Hunter, W.N. 登録日 2014-01-16 公開日 2015-01-21 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
4MUA	Schistosoma mansoni (Blood Fluke) Sulfotransferase 分子名称: ADENOSINE-3'-5'-DIPHOSPHATE, SODIUM ION, Sulfotransferase 著者 Valentim, C.L.L, Cioli, D, Chevalier, F.D, Cao, X, Taylor, A.B, Holloway, S.P, Pica-Mattoccia, L, Guidi, A, Basso, A, Tsai, I.J, Berriman, M, Carvalho-Queiroz, C, Almeida, M, Aguilar, H, Frantz, D.E, Hart, P.J, Anderson, T.J.C, LoVerde, P.T. 登録日 2013-09-21 公開日 2013-12-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Genetic and molecular basis of drug resistance and species-specific drug action in schistosome parasites. Science, 342, 2013
4CWS	Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor 分子名称: 2-{[2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-8-yl]amino}ethanol, HEAT SHOCK PROTEIN HSP 90-ALPHA 著者 Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. 登録日 2014-04-03 公開日 2014-07-09 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
4MYT	Crystal structure of elongation factor G (EFG) 分子名称: Elongation factor G, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION 著者 Liu, G, Dong, J, Gong, W, Qin, Y. 登録日 2013-09-28 公開日 2014-08-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (3.505 Å) 主引用文献 Crystal structure of elongation factor G (EFG) To be published
4N11	Crystal structure of plasmodium falciparum reduced glutaredoxin 1 (PfGrx1) complexed with cisplatin 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Cisplatin, ... 著者 Yogavel, M, Sharma, A. 登録日 2013-10-03 公開日 2014-10-08 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Interaction of Cisplatin with plasmodium falciparum Glutaredoxin 1 To be Published
4CMA	Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 分子名称: 5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Barrack, K.L, Hunter, W.N. 登録日 2014-01-15 公開日 2015-01-21 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
4N0Z	Crystal structure of cisplatin bound to a plasmodium falciparum glutaredoxin 1 (PfGrx1) 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Cisplatin, ... 著者 Yogavel, M, Sharma, A. 登録日 2013-10-03 公開日 2014-10-08 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Interaction of Cisplatin with plasmodium falciparum Glutaredoxin 1 To be Published
4CWR	Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor 分子名称: 5-(1,3-benzodioxol-5-ylmethyl)-10-fluoro[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA 著者 Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. 登録日 2014-04-03 公開日 2014-07-09 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014

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