PDB: 160395 件ウェブページステータス検索Chemie searchBIRD

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3SW2	X-ray crystal structure of human FXA in complex with 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide 分子名称: 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide, CALCIUM ION, Coagulation factor X, ... 著者 Klei, H.E. 登録日 2011-07-13 公開日 2011-11-16 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.42 Å) 主引用文献 Arylsulfonamidopiperidone derivatives as a novel class of factor Xa inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
3JQD	Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (DX7) 分子名称: 2-amino-4-oxo-6-phenyl-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 (1.6 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
2YZ3	Crystallographic Investigation of Inhibition Mode of the VIM-2 Metallo-beta-lactamase from Pseudomonas aeruginosa with Mercaptocarboxylate Inhibitor 分子名称: (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID, Metallo-beta-lactamase, SULFATE ION, ... 著者 Yamaguchi, Y, Yamagata, Y, Arakawa, Y, Kurosaki, H. 登録日 2007-05-02 公開日 2008-03-11 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystallographic investigation of the inhibition mode of a VIM-2 metallo-beta-lactamase from Pseudomonas aeruginosa by a mercaptocarboxylate inhibitor. J.Med.Chem., 50, 2007
3JQA	Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-1,9-dihydro-6H-purine-6-thione (DX4) 分子名称: 2-amino-1,9-dihydro-6H-purine-6-thione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1 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 (1.9 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
4GSY	Crystal structure of thymidylate kinase from Staphylococcus aureus bound to inhibitor. 分子名称: 4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl}-2-[3-(trifluoromethyl)phenoxy]benzoic acid, Thymidylate kinase 著者 Larsen, N.A, Olivier, N.B. 登録日 2012-08-28 公開日 2012-10-24 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Discovery of Selective and Potent Inhibitors of Gram-Positive Bacterial Thymidylate Kinase (TMK). J.Med.Chem., 55, 2012
3JQB	Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one (DX6) 分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, 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 (2.4 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
4HDC	Discovery of Selective and Potent Inhibitors of Gram-positive Bacterial Thymidylate Kinase (TMK: Compound 41) 分子名称: 2-(3-chlorophenoxy)-4-{(1R)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid, Thymidylate kinase 著者 Olivier, N.B. 登録日 2012-10-02 公開日 2012-10-24 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Discovery of Selective and Potent Inhibitors of Gram-Positive Bacterial Thymidylate Kinase (TMK). J.Med.Chem., 55, 2012
4HE9	Crystal Structure of HIV-1 protease mutants I54M complexed with inhibitor GRL-0519 分子名称: (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, HIV-1 protease, ... 著者 Shen, C.H, Zhang, H, Weber, I.T. 登録日 2012-10-03 公開日 2013-08-21 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.06 Å) 主引用文献 Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease. J.Med.Chem., 56, 2013
4GS9	Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with an inactive benzoxadiazole antagonist 分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, ... 著者 Scheuermann, T.H, Gardner, K.H. 登録日 2012-08-27 公開日 2013-04-03 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Development of Inhibitors of the PAS-B Domain of the HIF-2 alpha Transcription Factor J.Med.Chem., 56, 2013
3HYF	Crystal structure of HIV-1 RNase H p15 with engineered E. coli loop and active site inhibitor 分子名称: 2-(3,4-dichlorobenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid, ACETATE ION, GLYCEROL, ... 著者 Lansdon, E.B, Kirschberg, T.A. 登録日 2009-06-22 公開日 2009-10-20 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 RNase H active site inhibitors of human immunodeficiency virus type 1 reverse transcriptase: design, biochemical activity, and structural information. J.Med.Chem., 52, 2009
3I6O	Crystal structure of wild type HIV-1 protease with macrocyclic inhibitor GRL-0216A 分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-2-hydroxy-3-[(7E)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]propyl}carbamate, GLYCEROL, IODIDE ION, ... 著者 Chumanevich, A.A, Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T. 登録日 2009-07-07 公開日 2009-09-29 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.17 Å) 主引用文献 Design, Synthesis, Protein-Ligand X-ray Structure, and Biological Evaluation of a Series of Novel Macrocyclic Human Immunodeficiency Virus-1 Protease Inhibitors to Combat Drug Resistance. J.Med.Chem., 52, 2009
3JWF	Crystal structure of Bacillus anthracis (Y102F) dihydrofolate reductase complexed with NADPH and (R)-2,4-diamino-5-(3-hydroxy-3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-methylpyrimidine (UCP113A) 分子名称: (1R)-3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Anderson, A.C, Beierlein, J.M, Karri, N.G. 登録日 2009-09-18 公開日 2010-09-29 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.57 Å) 主引用文献 Targeted Mutations in Bacillus anthracis Dihydrofolate Reductase Condense Complex Structure-Activity Relationships J.Med.Chem., 2010
3RLP	Co-crystal structure of the HSP90 ATP binding domain in complex with 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine 分子名称: 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine, Heat shock protein HSP 90-alpha, PHOSPHATE ION 著者 Kung, P.-P, Sinnema, P.-J, Richardson, P, Hickey, M.J, Gajiwala, K.S, Wang, F, Huang, B, McClellan, G, Wang, J, Maegley, K, Bergqvist, S, Mehta, P.P, Kania, R. 登録日 2011-04-20 公開日 2011-06-08 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Design strategies to target crystallographic waters applied to the Hsp90 molecular chaperone. Bioorg.Med.Chem.Lett., 21, 2011
4J1Z	Tankyrase 2 in complex with 4-chloro-1,2-dihydrophatalzin-one 分子名称: 4-chlorophthalazin-1(2H)-one, SULFATE ION, Tankyrase-2, ... 著者 Jansson, A.E. 登録日 2013-02-03 公開日 2013-07-10 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Fragment-based ligand design of novel potent inhibitors of tankyrases. J.Med.Chem., 56, 2013
3SHE	Novel ATP-competitive MK2 inhibitors with potent biochemical and cell-based activity throughout the series 分子名称: MAP kinase-activated protein kinase 3, N-{4-[(3S)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]pyridin-2-yl}-3-(trifluoromethyl)benzamide 著者 Oubrie, A, Kazemier, B. 登録日 2011-06-16 公開日 2011-12-14 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Novel ATP competitive MK2 inhibitors with potent biochemical and cell-based activity throughout the series. Bioorg.Med.Chem.Lett., 22, 2012
2YKI	Tricyclic series of Hsp90 inhibitors 分子名称: 1-H-PYRROLO[2,3-B]PYRIDINE-4-CARBOXYLIC ACID [4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL]-AMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA 著者 Dupuy, A, Vallee, F. 登録日 2011-05-27 公開日 2011-10-19 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.67 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
4HW2	Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design 分子名称: 1,2-ETHANEDIOL, 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, ... 著者 Zhao, B. 登録日 2012-11-07 公開日 2013-01-09 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design. J.Med.Chem., 56, 2013
4HW4	Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design 分子名称: Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 BH3 peptide 著者 Friberg, A, Zhao, B. 登録日 2012-11-07 公開日 2013-01-09 最終更新日 2013-03-06 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design. J.Med.Chem., 56, 2013
3TDC	Crystal Structure of Human Acetyl-CoA carboxylase 2 分子名称: 1-[3-({4-[(5S)-3,3-dimethyl-1-oxo-2-oxa-7-azaspiro[4.5]dec-7-yl]piperidin-1-yl}carbonyl)-1-benzothiophen-2-yl]-3-ethylurea, Acetyl-CoA carboxylase 2 variant 著者 Dougan, D.R, Mol, C.D. 登録日 2011-08-10 公開日 2011-10-12 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.41 Å) 主引用文献 Design, synthesis, and structure-activity relationships of spirolactones bearing 2-ureidobenzothiophene as acetyl-CoA carboxylases inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
4HW3	Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design 分子名称: 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 著者 Zhao, B. 登録日 2012-11-07 公開日 2013-01-09 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design. J.Med.Chem., 56, 2013
3TAM	Crystal structure of HIV-1 reverse transcriptase (K103N mutant) in complex with inhibitor M06 分子名称: 3-chloro-5-{[4-methyl-2-oxo-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydropyridin-3-yl]oxy}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT 著者 Yan, Y. 登録日 2011-08-04 公開日 2011-10-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.51 Å) 主引用文献 Design and synthesis of pyridone inhibitors of non-nucleoside reverse transcriptase. Bioorg.Med.Chem.Lett., 21, 2011
4JMI	Sec7 domain of ARNO, an exchange factor, at 1.5 Angstrom resolution 分子名称: Cytohesin-2 著者 Hoh, F, Rouhana, J. 登録日 2013-03-14 公開日 2013-10-23 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Fragment-based identification of a locus in the Sec7 domain of Arno for the design of protein-protein interaction inhibitors J.Med.Chem., 56, 2013
2YKE	Tricyclic series of Hsp90 inhibitors 分子名称: HEAT SHOCK PROTEIN HSP 90-ALPHA, N-[(4R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-fluoren-9-yl]quinoline-5-carboxamide 著者 Dupuy, A, Vallee, F. 登録日 2011-05-26 公開日 2011-10-19 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.43 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
2YK2	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, 4-(5-METHYL-4-PHENYLISOXAZOL-3-YL)BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA 著者 Dupuy, A, Vallee, F. 登録日 2011-05-25 公開日 2011-10-19 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.74 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
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

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