Author results

1APA
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X-RAY STRUCTURE OF A POKEWEED ANTIVIRAL PROTEIN, CODED BY A NEW GENOMIC CLONE, AT 0.23 NM RESOLUTION. A MODEL STRUCTURE PROVIDES A SUITABLE ELECTROSTATIC FIELD FOR SUBSTRATE BINDING.
分子名称:POKEWEED ANTIVIRAL PROTEIN
著者Ago, H., Kataoka, J., Tsuge, H., Habuka, N., Inagaki, E., Noma, M., Miyano, M.
登録日1993-09-21
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-ray structure of a pokeweed antiviral protein, coded by a new genomic clone, at 0.23 nm resolution. A model structure provides a suitable electrostatic field for substrate binding.
Eur.J.Biochem., 225, 1994
3VHU
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MINERALOCORTICOID RECEPTOR LIGAND-BINDING DOMAIN WITH SPIRONOLACTONE
分子名称:Mineralocorticoid receptor, SPIRONOLACTONE
著者Sogabe, S., Habuka, N.
登録日2011-09-07
公開日2011-12-28
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Identification of Benzoxazin-3-one Derivatives as Novel, Potent, and Selective Nonsteroidal Mineralocorticoid Receptor Antagonists
J.Med.Chem., 54, 2011
3VHV
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MINERALOCORTICOID RECEPTOR LIGAND-BINDING DOMAIN WITH NON-STEROIDAL ANTAGONIST
分子名称:Mineralocorticoid receptor, 6-[(7S)-7-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2H-1,4-benzoxazin-3(4H)-one, 6-[(1E)-2-phenyl-N-(3-sulfanyl-4H-1,2,4-triazol-4-yl)ethanimidoyl]-2H-1,4-benzoxazin-3(4H)-one, ...
著者Sogabe, S., Habuka, N.
登録日2011-09-07
公開日2011-12-28
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Identification of Benzoxazin-3-one Derivatives as Novel, Potent, and Selective Nonsteroidal Mineralocorticoid Receptor Antagonists
J.Med.Chem., 54, 2011
4PF3
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MINERALOCORTICOID RECEPTOR LIGAND-BINDING DOMAIN WITH COMPUOND 37A
分子名称:Mineralocorticoid receptor, 6-[1-(2,2-difluoro-3-hydroxypropyl)-5-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one, 1,2-ETHANEDIOL
著者Sogabe, S., Habuka, N.
登録日2014-04-28
公開日2014-11-26
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Discovery of 6-[5-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-benzoxazin-3-one derivatives as novel selective nonsteroidal mineralocorticoid receptor antagonists
Bioorg.Med.Chem., 22, 2014
3WFF
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MINERALOCORTICOID RECEPTOR LIGAND-BINDING DOMAIN WITH COMPUOND 2B
分子名称:Mineralocorticoid receptor, 6-[4-(2,4-difluorophenyl)-5-oxo-2,5-dihydrofuran-3-yl]-2H-1,4-benzoxazin-3(4H)-one, PHOSPHATE ION
著者Sogabe, S., Habuka, N.
登録日2013-07-19
公開日2013-08-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Design, synthesis, and structure-activity relationships of dihydrofuran-2-one and dihydropyrrol-2-one derivatives as novel benzoxazin-3-one-based minera-locorticoid receptor antagonists
Bioorg.Med.Chem., 2013
3WFG
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MINERALOCORTICOID RECEPTOR LIGAND-BINDING DOMAIN WITH COMPUOND 2E
分子名称:Mineralocorticoid receptor, 6-[(2S)-4-(4-fluorophenyl)-2-methyl-5-oxo-2,5-dihydrofuran-3-yl]-2H-1,4-benzoxazin-3(4H)-one, 1,2-ETHANEDIOL
著者Sogabe, S., Habuka, N.
登録日2013-07-19
公開日2013-08-21
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Design, synthesis, and structure-activity relationships of dihydrofuran-2-one and dihydropyrrol-2-one derivatives as novel benzoxazin-3-one-based minera-locorticoid receptor antagonists
Bioorg.Med.Chem., 2013
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
1AUI
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HUMAN CALCINEURIN HETERODIMER
分子名称:SERINE/THREONINE PHOSPHATASE 2B, ZINC ION, FE (III) ION, ...
著者Kissinger, C.R., Parge, H.E., Knighton, D.R., Pelletier, L.A., Lewis, C.T., Tempczyk, A., Villafranca, J.E.
登録日1997-08-27
公開日1997-12-03
最終更新日2012-02-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of human calcineurin and the human FKBP12-FK506-calcineurin complex.
Nature, 378, 1995
2ZDT
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CRYSTAL STRUCTURE OF HUMAN JNK3 COMPLEXED WITH AN ISOQUINOLONE INHIBITOR
分子名称:Mitogen-activated protein kinase 10, 4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2(1H)-yl)methyl]benzoic acid, GLYCEROL
著者Sogabe, S., Asano, Y., Fukumoto, S., Habuka, N., Fujishima, A.
登録日2007-11-27
公開日2008-09-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (2)
Bioorg.Med.Chem., 16, 2008
2ZDU
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CRYSTAL STRUCTURE OF HUMAN JNK3 COMPLEXED WITH AN ISOQUINOLONE INHIBITOR
分子名称:Mitogen-activated protein kinase 10, 4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1H)-yl]methyl}phenyl)amino]-4-oxobutanoic acid
著者Sogabe, S., Ohra, T., Itoh, F., Habuka, N., Fujishima, A.
登録日2007-11-27
公開日2008-09-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (1)
Bioorg.Med.Chem., 16, 2008
3POZ
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EGFR KINASE DOMAIN COMPLEXED WITH TAK-285
分子名称:Epidermal growth factor receptor, SULFATE ION, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide
著者Aertgeerts, K., Skene, R., Sogabe, S.
登録日2010-11-23
公開日2011-03-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Analysis of the Mechanism of Inhibition and Allosteric Activation of the Kinase Domain of HER2 Protein.
J.Biol.Chem., 286, 2011
3PP0
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CRYSTAL STRUCTURE OF THE KINASE DOMAIN OF HUMAN HER2 (ERBB2).
分子名称:Receptor tyrosine-protein kinase erbB-2, 2-{2-[4-({5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridin-3-yl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethoxy}ethanol
著者Skene, R.J., Aertgeerts, K., Sogabe, S.
登録日2010-11-23
公開日2011-03-30
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural Analysis of the Mechanism of Inhibition and Allosteric Activation of the Kinase Domain of HER2 Protein.
J.Biol.Chem., 286, 2011
3RCD
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HER2 KINASE DOMAIN COMPLEXED WITH TAK-285
分子名称:Receptor tyrosine-protein kinase erbB-2, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide
著者Aertgeerts, K., Skene, R., Sogabe, S.
登録日2011-03-30
公開日2011-11-23
最終更新日2011-12-14
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Design and Synthesis of Novel Human Epidermal Growth Factor Receptor 2 (HER2)/Epidermal Growth Factor Receptor (EGFR) Dual Inhibitors Bearing a Pyrrolo[3,2-d]pyrimidine Scaffold.
J.Med.Chem., 54, 2011
5B4O
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CRYSTAL STRUCTURE OF MACROPHAGE MIGRATION INHIBITORY FACTOR IN COMPLEX WITH BTZO-14
分子名称:Macrophage migration inhibitory factor, 2-pyridin-3-yl-1,3-benzothiazin-4-one, 1,2-ETHANEDIOL, ...
著者Oki, H., Igaki, S., Moriya, Y., Hayano, Y., Habuka, N.
登録日2016-04-07
公開日2016-04-20
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献BTZO-1, a cardioprotective agent, reveals that macrophage migration inhibitory factor regulates ARE-mediated gene expression
Chem. Biol., 17, 2010
5T8E
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SYNTHESIS AND BIOLOGICAL EVALUATION OF NOVEL SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS). PART II: OPTIMIZATION OF 4-(PYRROLIDIN-1-YL)BENZONITRILE DERIVATIVES
分子名称:Androgen receptor, GLYCEROL, 2-chloro-4-[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-3-methylbenzonitrile
著者Wilson, K.P.
登録日2016-09-07
公開日2017-04-26
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives.
Bioorg. Med. Chem. Lett., 27, 2017
5T8J
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SYNTHESIS AND BIOLOGICAL EVALUATION OF NOVEL SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS). PART II: OPTIMIZATION OF 4-(PYRROLIDIN-1-YL)BENZONITRILE DERIVATIVES
分子名称:Androgen receptor, GLYCEROL, 2-fluoro-4-[(2S,3S)-3-hydroxy-2,3-dimethylpyrrolidin-1-yl]-3-methylbenzonitrile
著者Wilson, K.P.
登録日2016-09-07
公開日2017-04-26
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives.
Bioorg. Med. Chem. Lett., 27, 2017
5V8Q
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SYNTHESIS AND BIOLOGICAL EVALUATION OF NOVEL SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS): PART III
分子名称:Androgen receptor, GLYCEROL, 4-[(2S,3S)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
著者Wilson, K.P.
登録日2017-03-22
公開日2017-05-24
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs) Part III: Discovery of 4-(5-oxopyrrolidine-1-yl)benzonitrile derivative 2f as a clinical candidate.
Bioorg. Med. Chem., 25, 2017
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
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
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
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
1GIK
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POKEWEED ANTIVIRAL PROTEIN FROM SEEDS
分子名称:ANTIVIRAL PROTEIN S, N-ACETYL-D-GLUCOSAMINE, 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE
著者Zeng, Z.H., He, X.L., Li, H.M., Hu, Z., Wang, D.C.
登録日2001-02-07
公開日2003-09-30
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of pokeweed antiviral protein with well-defined sugars from seeds at 1.8 angstrom resolution
J.Struct.Biol., 141, 2003
2P6B
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CRYSTAL STRUCTURE OF HUMAN CALCINEURIN IN COMPLEX WITH PVIVIT PEPTIDE
分子名称:PVIVIT 14-mer Peptide, Calmodulin-dependent calcineurin A subunit alpha isoform, Calcineurin subunit B isoform 1, ...
著者Li, H., Zhang, L., Rao, A., Harrison, S.C., Hogan, P.G.
登録日2007-03-16
公開日2007-06-05
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of calcineurin in complex with PVIVIT peptide: Portrait of a low-affinity signalling interaction
J.Mol.Biol., 369, 2007
3LL8
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CRYSTAL STRUCTURE OF CALCINEURIN IN COMPLEX WITH AKAP79 PEPTIDE
分子名称:AKAP79 peptide, Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform, Calcineurin subunit B type 1, ...
著者Li, H., Hogan, P.G.
登録日2010-01-28
公開日2011-01-12
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Balanced interactions of calcineurin with AKAP79 regulate Ca(2+)-calcineurin-NFAT signaling.
Nat.Struct.Mol.Biol., 19, 2012