PDB: 12060 件ウェブページステータス検索Chemie searchBIRD

---

2YE6	HSP90 inhibitors and drugs from fragment and virtual screening 分子名称: 2-AMINO-BENZAMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA 著者 Roughley, S.D, Hubbard, R.E, Baker, L.M. 登録日 2011-03-25 公開日 2011-06-15 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.56 Å) 主引用文献 How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90. J.Med.Chem., 54, 2011
3H42	Crystal structure of PCSK9 in complex with Fab from LDLR competitive antibody 分子名称: Fab from LDLR competitive antibody: Heavy chain, Fab from LDLR competitive antibody: Light chain, Proprotein convertase subtilisin/kexin type 9, ... 著者 Piper, D.E, Walker, N.P.C, Romanow, W.G, Thibault, S.T, Tsai, M.M, Yang, E. 登録日 2009-04-17 公開日 2009-05-05 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 From the Cover: A proprotein convertase subtilisin/kexin type 9 neutralizing antibody reduces serum cholesterol in mice and nonhuman primates. Proc.Natl.Acad.Sci.USA, 106, 2009
2YEJ	HSP90 inhibitors and drugs from fragment and virtual screening 分子名称: 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION, ... 著者 Roughley, S.D, Hubbard, R.E, Baker, L.M. 登録日 2011-03-25 公開日 2011-06-15 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90. J.Med.Chem., 54, 2011
3H6J	Crystal structure of a putative neuraminidase from Pseudomonas aeruginosa 分子名称: Neuraminidase 著者 Hsiao, Y.-S, Tong, L. 登録日 2009-04-23 公開日 2009-05-12 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structures of respiratory pathogen neuraminidases Biochem.Biophys.Res.Commun., 380, 2009
3UX9	Structural insights into a human anti-IFN antibody exerting therapeutic potential for systemic lupus erythematosus 分子名称: Interferon alpha-1/13, ScFv antibody 著者 Ouyang, S, Zhao, L.X, Liang, W, Shaw, N, Liu, Z.-J, Liang, M.-F. 登録日 2011-12-04 公開日 2012-02-29 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structural insights into a human anti-IFN antibody exerting therapeutic potential for systemic lupus erythematosus J.Mol.Med., 2012
3HBO	Crystal structure of chemically synthesized [D-Ala51/51']HIV-1 protease 分子名称: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [D-Ala51/51']HIV-1 protease 著者 Torbeev, V.Y, Kent, S.B.H. 登録日 2009-05-04 公開日 2010-05-26 最終更新日 2012-12-12 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011
3H71	Crystal structure of Streptococcus pneumoniae D39 neuraminidase A precursor (NanA) 分子名称: Sialidase A 著者 Hsiao, Y.-S, Tong, L. 登録日 2009-04-24 公開日 2009-05-12 最終更新日 2019-09-04 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal structures of respiratory pathogen neuraminidases Biochem.Biophys.Res.Commun., 380, 2009
3H8Y	Crystal structure of carboxysome small shell protein CsoS1C from Halothiobacillus neapolitanus 分子名称: Major carboxysome shell protein 1C 著者 Tsai, Y, Sawaya, M.R, Yeates, T.O. 登録日 2009-04-29 公開日 2009-09-01 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.51 Å) 主引用文献 Analysis of lattice-translocation disorder in the layered hexagonal structure of carboxysome shell protein CsoS1C Acta Crystallogr.,Sect.D, 65, 2009
2YI7	Structural characterization of 5-Aryl-4-(5-substituted-2-4- dihydroxyphenyl)-1,2,3-thiadiazole Hsp90 inhibitors. 分子名称: 4-CHLORO-6-[5-(4-ETHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION 著者 Roe, S.M, Prodromou, C, Pearl, L.H. 登録日 2011-05-10 公開日 2012-05-16 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Co-Crystalization and in Vitro Biological Characterization of 5-Aryl-4-(5-Substituted-2-4-Dihydroxyphenyl)-1,2,3-Thiadiazole Hsp90 Inhibitors. Plos One, 7, 2012
6KYJ	Hybrid-Rubisco (rice RbcL and sorghum RbcS) in complex with sulfate ions 分子名称: GLYCEROL, Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small chain, ... 著者 Matsumura, H, Yoshizawa, T, Tanaka, S, Yoshikawa, H. 登録日 2019-09-19 公開日 2020-09-16 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Hybrid Rubisco with Complete Replacement of Rice Rubisco Small Subunits by Sorghum Counterparts Confers C 4 Plant-like High Catalytic Activity. Mol Plant, 13, 2020
2YJX	Tricyclic series of Hsp90 inhibitors 分子名称: 1-(3H-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2H)-one, HEAT SHOCK PROTEIN HSP 90-ALPHA 著者 Dupuy, A, Vallee, F. 登録日 2011-05-24 公開日 2011-10-19 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
6KZN	Crystal Structure Of VIM-2 Metallo-beta-lactamase In Complex With Inhibitor X2 分子名称: 2,5-diethyl-1-methyl-4-sulfamoyl-pyrrole-3-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... 著者 Wachino, J. 登録日 2019-09-24 公開日 2020-02-19 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Sulfamoyl Heteroarylcarboxylic Acids as Promising Metallo-beta-Lactamase Inhibitors for Controlling Bacterial Carbapenem Resistance. Mbio, 11, 2020
3UE8	Kynurenine Aminotransferase II Inhibitors 分子名称: (5-hydroxy-4-{[(1-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, CHLORIDE ION, Kynurenine/alpha-aminoadipate aminotransferase, ... 著者 Dounay, A.B, Anderson, M, Bechle, B.M, Campbell, B.M, Claffey, M.M, Evdokimov, A, Edelweiss, E, Fonseca, K.R, Gan, X, Ghosh, S, Hayward, M.M, Horner, W, Kim, J.Y, McAllister, L.A, Pandit, J, Paradis, V, Parikh, V.D, Reese, M.R, Rong, S.B, Salafia, M.A, Schuyten, K, Strick, C.A, Tuttle, J.B, Valentine, J, Wang, H, Zawadzke, L.E, Verhoest, P.R. 登録日 2011-10-28 公開日 2012-02-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (3.22 Å) 主引用文献 Discovery of Brain-Penetrant, Irreversible Kynurenine Aminotransferase II Inhibitors for Schizophrenia. ACS Med Chem Lett, 3, 2012
6L0C	Crystal structure of HIV-1 Integrase catalytic core domain (A128T/K173Q/F185K) 分子名称: ARSENIC, Integrase, SULFATE ION 著者 Nakamura, T, Nakamura, T. 登録日 2019-09-26 公開日 2020-07-01 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.101 Å) 主引用文献 A Conformational Escape Reaction of HIV-1 against an Allosteric Integrase Inhibitor. J.Virol., 94, 2020
3UIX	Crystal structure of Pim1 kinase in complex with small molecule inhibitor 分子名称: 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol, CALCIUM ION, CHLORIDE ION, ... 著者 Parker, L.J. 登録日 2011-11-06 公開日 2012-04-11 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 A novel pim-1 kinase inhibitor targeting residues that bind the substrate Peptide. J.Mol.Biol., 417, 2012
6LI1	Crystal structure of GPR52 ligand free form with flavodoxin fusion 分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera of G-protein coupled receptor 52 and Flavodoxin, DI(HYDROXYETHYL)ETHER, ... 著者 Luo, Z.P, Lin, X, Xu, F, Han, G.W. 登録日 2019-12-10 公開日 2020-02-26 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structural basis of ligand recognition and self-activation of orphan GPR52. Nature, 579, 2020
6LBL	Crystal structure of IMP-1 metallo-beta-lactamase in complex with NO9 inhibitor 分子名称: 2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid, Metallo-beta-lactamase type 2, SODIUM ION, ... 著者 Wachino, J. 登録日 2019-11-14 公開日 2020-02-19 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Sulfamoyl Heteroarylcarboxylic Acids as Promising Metallo-beta-Lactamase Inhibitors for Controlling Bacterial Carbapenem Resistance. Mbio, 11, 2020
3D98	Crystal structure of GlmU from Mycobacterium tuberculosis, ligand-free form 分子名称: Bifunctional protein glmU 著者 Zhang, Z, Squire, C.J, Baker, E.N. 登録日 2008-05-27 公開日 2009-03-10 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structure and function of GlmU from Mycobacterium tuberculosis. Acta Crystallogr.,Sect.D, 65, 2009
6LIT	Estrogen-related receptor beta(ERR2) in complex with BPA 分子名称: 10-mer from Nuclear receptor coactivator 2, 4,4'-PROPANE-2,2-DIYLDIPHENOL, Steroid hormone receptor ERR2 著者 Yao, B.Q, Li, Y. 登録日 2019-12-13 公開日 2020-10-07 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta. J.Mol.Biol., 432, 2020
6LJ1	Crystal structure of NDM-1 in complex with D-captopril derivative wss02127 monomer 分子名称: (1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION 著者 Zhang, H, Ma, G. 登録日 2019-12-13 公開日 2020-12-16 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.151 Å) 主引用文献 Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors. Bioorg.Med.Chem., 29, 2020
6KXI	Crystal Structure Of NDM-1 Metallo-beta-lactamase In Complex With Inhibitor NO9 分子名称: 2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid, Beta-lactamase, SULFATE ION, ... 著者 Wachino, J. 登録日 2019-09-11 公開日 2020-02-19 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 Sulfamoyl Heteroarylcarboxylic Acids as Promising Metallo-beta-Lactamase Inhibitors for Controlling Bacterial Carbapenem Resistance. Mbio, 11, 2020
3SIW	Crystal structure of NodZ alpha-1,6-fucosyltransferase co-crystallized with GDP 分子名称: GUANOSINE-5'-DIPHOSPHATE, Nodulation fucosyltransferase NodZ, PHOSPHATE ION 著者 Brzezinski, K, Dauter, Z, Jaskolski, M. 登録日 2011-06-20 公開日 2012-02-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Structures of NodZ alpha-1,6-fucosyltransferase in complex with GDP and GDP-fucose Acta Crystallogr.,Sect.D, 68, 2012
3DOY	Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3i 分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-chloro-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ... 著者 Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H. 登録日 2008-07-07 公開日 2009-05-05 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination. J.Med.Chem., 52, 2009
3HAW	Crystal structure of [L-Ala51/51']HIV-1 protease with reduced isostere MVT-101 inhibitor 分子名称: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, [L-Ala51/51']HIV-1 protease 著者 Torbeev, V.Y, Kent, S.B.H. 登録日 2009-05-02 公開日 2011-04-27 最終更新日 2012-12-12 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011
3H6K	Crystal Structure of Human 11-beta-hydroxysteroid-dehydrogenase Bound to an Ortho-chlro-sulfonyl-piperazine Inhibitor 分子名称: 3-chloro-4-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)benzamide, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Bard, J, Svenson, K. 登録日 2009-04-23 公開日 2009-12-01 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.187 Å) 主引用文献 Efficacious 11beta-hydroxysteroid dehydrogenase type I inhibitors in the diet-induced obesity mouse model. J.Med.Chem., 52, 2009

<345346347348349350351352353354355356357358359360>