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2DXS
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CRYSTAL STRUCTURE OF HCV NS5B RNA POLYMERASE COMPLEXED WITH A TETRACYCLIC INHIBITOR
分子名称:Genome polyprotein, N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-2-METHYL-L-ALANINE
著者Adachi, T., Tsuruha, J., Doi, S., Murase, K., Ikegashira, K., Watanabe, S., Uehara, K., Orita, T., Nomura, A., Kamada, M.
登録日2006-08-30
公開日2006-12-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of Conformationally Constrained Tetracyclic Compounds as Potent Hepatitis C Virus NS5B RNA Polymerase Inhibitors
J.Med.Chem., 49, 2006
3VQS
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CRYSTAL STRUCTURE OF HCV NS5B RNA POLYMERASE WITH A NOVEL PIPERAZINE INHIBITOR
分子名称:RNA-directed RNA polymerase, (2R)-4-(5-cyclopropyl[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-[3-fluoro-4-(trifluoromethoxy)benzyl]-1-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine-2-carboxamide, CHLORIDE ION
著者Adachi, T., Doi, S., Ando, I., Sugimoto, K., Orita, T., Nomura, A., Kamada, M.
登録日2012-03-30
公開日2012-08-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Preclinical Characterization of JTK-853, a Novel Nonnucleoside Inhibitor of the Hepatitis C Virus RNA-Dependent RNA Polymerase.
Antimicrob.Agents Chemother., 56, 2012
1WAB
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PLATELET-ACTIVATING FACTOR ACETYLHYDROLASE
分子名称:PLATELET-ACTIVATING FACTOR ACETYLHYDROLASE, ACETATE ION
著者Ho, Y.S., Swenson, L., Derewenda, U., Serre, L., Wei, Y., Dauter, Z., Hattori, M., Aoki, J., Arai, H., Adachi, T., Inoue, K., Derewenda, Z.S.
登録日1996-10-30
公開日1997-11-12
最終更新日2011-11-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Brain acetylhydrolase that inactivates platelet-activating factor is a G-protein-like trimer.
Nature, 385, 1997
5AYG
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CRYSTAL STRUCTURE OF THE HUMAN ROR GAMMA LIGAND BINDING DOMAIN WITH 3G
分子名称:Nuclear receptor ROR-gamma, 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-yl-propanamide
著者Noguchi, M., Doi, S., Nomura, A., Kikuwaka, M., Murase, K., Hirata, K., Kamada, M., Adachi, T.
登録日2015-08-20
公開日2016-03-02
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献SAR Exploration Guided by LE and Fsp(3): Discovery of a Selective and Orally Efficacious ROR gamma Inhibitor
Acs Med.Chem.Lett., 7, 2016
6IVX
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DISCOVERY OF THE SECOND GENERATION ROR GAMMA INHIBITORS COMPOSED OF AN AZOLE SCAFFOLD.
分子名称:Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2, (4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid
著者Noguchi, M., Nomura, A., Doi, S., Adachi, T.
登録日2018-12-04
公開日2019-03-06
最終更新日2019-03-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold.
J. Med. Chem., 62, 2019
6A22
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TERNARY COMPLEX OF HUMAN ROR GAMMA LIGAND BINDING DOMAIN WITH COMPOUND T.
分子名称:Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2, 2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{N}-(oxan-4-ylmethyl)ethanamide
著者Noguchi, M., Nomura, A., Doi, S., Yamaguchi, K., Adachi, T.
登録日2018-06-08
公開日2018-12-12
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Ternary crystal structure of human ROR gamma ligand-binding-domain, an inhibitor and corepressor peptide provides a new insight into corepressor interaction
Sci Rep, 8, 2018
5X8Q
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CRYSTAL STRUCTURE OF THE MUTANT HUMAN ROR GAMMA LIGAND BINDING DOMAIN WITH ROCKOGENIN.
分子名称:Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2, (1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol
著者Noguchi, M., Nomura, A., Murase, K., Doi, S., Yamaguchi, K., Adachi, T.
登録日2017-03-03
公開日2017-06-07
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
5X8S
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CRYSTAL STRUCTURE OF THE MUTANT HUMAN ROR GAMMA LIGAND BINDING DOMAIN WITH URSOLIC ACID.
分子名称:Uncharacterized protein, Ursolic acid
著者Noguchi, M., Nomura, A., Murase, K., Doi, S., Yamaguchi, K., Adachi, T.
登録日2017-03-03
公開日2017-06-07
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
5X8U
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CRYSTAL STRUCTURE OF THE WILD HUMAN ROR GAMMA LIGAND BINDING DOMAIN.
分子名称:Uncharacterized protein, Nuclear receptor coactivator 1
著者Noguchi, M., Nomura, A., Murase, K., Doi, S., Yamaguchi, K., Adachi, T.
登録日2017-03-03
公開日2017-06-07
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
5X8W
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CRYSTAL STRUCTURE OF THE MUTANT HUMAN ROR GAMMA LIGAND BINDING DOMAIN.
分子名称:Uncharacterized protein, Nuclear receptor coactivator 1
著者Noguchi, M., Nomura, A., Murase, K., Doi, S., Yamaguchi, K., Adachi, T.
登録日2017-03-03
公開日2017-06-07
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
5X8X
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CRYSTAL STRUCTURE OF THE MUTANT HUMAN ROR GAMMA LIGAND BINDING DOMAIN WITH COMPOUND A.
分子名称:Uncharacterized protein, Nuclear receptor corepressor 2, (3R,4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide
著者Noguchi, M., Nomura, A., Murase, K., Doi, S., Yamaguchi, K., Adachi, T.
登録日2017-03-03
公開日2017-06-07
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
1A1Q
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HEPATITIS C VIRUS NS3 PROTEINASE
分子名称:NS3 PROTEINASE, ZINC ION
著者Love, R.A., Parge, H.E., Wickersham, J.A., Hostomsky, Z., Habuka, N., Moomaw, E.W., Adachi, T., Hostomska, Z.
登録日1997-12-12
公開日1998-03-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The crystal structure of hepatitis C virus NS3 proteinase reveals a trypsin-like fold and a structural zinc binding site.
Cell(Cambridge,Mass.), 87, 1996
1QUV
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CRYSTAL STRUCTURE OF THE RNA DIRECTED RNA POLYMERASE OF HEPATITIS C VIRUS
分子名称:PROTEIN (RNA-DIRECTED RNA POLYMERASE)
著者Ago, H., Miyano, M., Adachi, T., Habuka, N.
登録日1999-07-04
公開日1999-11-05
最終更新日2018-03-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the RNA-dependent RNA polymerase of hepatitis C virus.
Structure Fold.Des., 7, 1999
2EB4
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CRYSTAL STRUCTURE OF APO-HPCG
分子名称:2-oxo-hept-3-ene-1,7-dioate hydratase, THIOCYANATE ION, SODIUM ION
著者Izumi, A., Rea, D., Adachi, T., Unzai, S., Park, S.Y., Roper, D.I., Tame, J.R.H.
登録日2007-02-07
公開日2007-07-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and Mechanism of HpcG, a Hydratase in the Homoprotocatechuate Degradation Pathway of Escherichia coli
J.Mol.Biol., 370, 2007
2EB5
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CRYSTAL STRUCTURE OF HPCG COMPLEXED WITH OXALATE
分子名称:2-oxo-hept-3-ene-1,7-dioate hydratase, MAGNESIUM ION, OXALATE ION, ...
著者Izumi, A., Rea, D., Adachi, T., Unzai, S., Park, S.Y., Roper, D.I., Tame, J.R.H.
登録日2007-02-07
公開日2007-07-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and Mechanism of HpcG, a Hydratase in the Homoprotocatechuate Degradation Pathway of Escherichia coli
J.Mol.Biol., 370, 2007
2EB6
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CRYSTAL STRUCTURE OF HPCG COMPLEXED WITH MG ION
分子名称:2-oxo-hept-3-ene-1,7-dioate hydratase, MAGNESIUM ION
著者Izumi, A., Rea, D., Adachi, T., Unzai, S., Park, S.Y., Roper, D.I., Tame, J.R.H.
登録日2007-02-07
公開日2007-07-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structure and Mechanism of HpcG, a Hydratase in the Homoprotocatechuate Degradation Pathway of Escherichia coli
J.Mol.Biol., 370, 2007
2DDQ
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CRYSTAL STRUCTURE OF THE FAB FRAGMENT OF A R310 ANTIBODY COMPLEXED WITH (R)-HNE-HISTIDINE ADDUCT
分子名称:R310 antibody heavy chain, R310 antibody light chain, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Ito, S.
登録日2006-02-02
公開日2006-07-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Bispecific abs against modified protein and DNA with oxidized lipids
Proc.Natl.Acad.Sci.Usa, 103, 2006
5B1R
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CRYSTAL STRUCTURE OF MOUSE CD72A CTLD
分子名称:B-cell differentiation antigen CD72, ACETATE ION, GLYCEROL
著者Shinagawa, K., Numoto, N., Tsubata, T., Ito, N.
登録日2015-12-15
公開日2016-10-19
最終更新日2016-11-30
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献CD72 negatively regulates B lymphocyte responses to the lupus-related endogenous toll-like receptor 7 ligand Sm/RNP
J.Exp.Med., 213, 2016
3NK3
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CRYSTAL STRUCTURE OF FULL-LENGTH SPERM RECEPTOR ZP3 AT 2.6 A RESOLUTION
分子名称:Zona pellucida 3, N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE, BETA-D-GALACTOSE, ...
著者Monne, M., Jovine, L.
登録日2010-06-18
公開日2010-11-10
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Insights into Egg Coat Assembly and Egg-Sperm Interaction from the X-Ray Structure of Full-Length ZP3.
Cell(Cambridge,Mass.), 143, 2010
3NK4
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CRYSTAL STRUCTURE OF FULL-LENGTH SPERM RECEPTOR ZP3 AT 2.0 A RESOLUTION
分子名称:Zona pellucida 3, N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE, CITRATE ANION
著者Monne, M., Jovine, L.
登録日2010-06-18
公開日2010-11-10
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insights into Egg Coat Assembly and Egg-Sperm Interaction from the X-Ray Structure of Full-Length ZP3.
Cell(Cambridge,Mass.), 143, 2010
2A4G
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HEPATITIS C PROTEASE NS3-4A SERINE PROTEASE WITH KETOAMIDE INHIBITOR SCH225724 BOUND
分子名称:NS3 protease/helicase, NS4a peptide, ZINC ION, ...
著者Arasappan, A., Njoroge, F.G., Chan, T.Y., Bennett, F., Bogen, S.L., Chen, K., Gu, H., Hong, L., Jao, E., Liu, Y.T., Lovey, R.G., Parekh, T., Pike, R.E., Pinto, P., Santhanam, B., Venkatraman, S., Vaccaro, H., Wang, H., Yang, X., Zhu, Z., Mckittrick, B., Saksena, A.K., Girijavallabhan, V., Pichardo, J., Butkiewicz, N., Ingram, R., Malcolm, B., Prongay, A.J., Yao, N., Marten, B., Madison, V., Kemp, S., Levy, O., Lim-Wilby, M., Tamura, S., Ganguly, A.K.
登録日2005-06-28
公開日2006-07-04
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Hepatitis C virus NS3-4a serine protease inhibitors. SAR of P2' moiety with improved potency.
Bioorg.Med.Chem.Lett., 15, 2005
1BT7
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THE SOLUTION NMR STRUCTURE OF THE N-TERMINAL PROTEASE DOMAIN OF THE HEPATITIS C VIRUS (HCV) NS3-PROTEIN, FROM BK STRAIN, 20 STRUCTURES
分子名称:NS3 SERINE PROTEASE, ZINC ION
著者Barbato, G., Cicero, D.O., Nardi, M.C., Steinkuhler, C., Cortese, R., De Francesco, R., Bazzo, R.
登録日1998-09-01
公開日1999-06-22
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献The solution structure of the N-terminal proteinase domain of the hepatitis C virus (HCV) NS3 protein provides new insights into its activation and catalytic mechanism.
J.Mol.Biol., 289, 1999
2A4Q
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HCV NS3 PROTEASE WITH NS4A PEPTIDE AND A COVALENTLY BOUND MACROCYCLIC KETOAMIDE COMPOUND.
分子名称:NS3 protease/helicase', NS4a peptide, ZINC ION, ...
著者Chen, K.X., Njoroge, F.G., Prongay, A., Pichardo, J., Madison, V., Girijavallabhan, V.
登録日2005-06-29
公開日2006-07-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Synthesis and Biological Activity of Macrocyclic Inhibitors of Hepatitis C Virus (HCV) NS3 Protease
Bioorg.Med.Chem.Lett., 15, 2005
2A4R
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HCV NS3 PROTEASE DOMAIN WITH A KETOAMIDE INHIBITOR COVALENTLY BOUND.
分子名称:NS3 protease/helicase, Ns4a peptide, ZINC ION, ...
著者Bogen, S., Saksena, A.K., Arasappan, A., Gu, H., Njoroge, F.G., Girijavallabhan, V., Pichardo, J., Butkiewicz, N., Prongay, A., Madison, V.
登録日2005-06-29
公開日2006-07-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Hepatitis C Virus NS3-4A serine protease inhibitors: Use of a P2-P1 cyclopropyl alanine combination for improved potency.
Bioorg.Med.Chem.Lett., 15, 2005
1BWP
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PROBING THE SUBSTRATE SPECIFICITY OF THE INTRACELLULAR BRAIN PLATELET-ACTIVATING FACTOR ACETYLHYDROLASE
分子名称:PLATELET-ACTIVATING FACTOR ACETYLHYDROLASE
著者Ho, Y.S., Sheffield, P.J., Masuyama, J., Arai, H., Li, J., Aoki, J., Inoue, K., Derewenda, U., Derewenda, Z.
登録日1998-09-27
公開日1999-05-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Probing the Substrate Specificity of the Intracellular Brain Platelet-Activating Factor Acetylhydrolase
Protein Eng., 12, 1999
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