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3APC
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CRYSTAL STRUCTURE OF HUMAN PI3K-GAMMA IN COMPLEX WITH CH5132799
Descriptor:Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 5-(7-Methanesulfonyl-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine, SULFATE ION
Authors:Nakamura, M., Fukami, T.A., Miyazaki, T., Yoshida, M.
Deposit date:2010-10-14
Release date:2011-04-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.544 Å)
Cite:Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799
Bioorg.Med.Chem.Lett., 21, 2011
3APD
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CRYSTAL STRUCTURE OF HUMAN PI3K-GAMMA IN COMPLEX WITH CH5108134
Descriptor:Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine, SULFATE ION
Authors:Nakamura, M., Fukami, T.A., Miyazaki, T., Yoshida, M.
Deposit date:2010-10-14
Release date:2011-04-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799
Bioorg.Med.Chem.Lett., 21, 2011
3APF
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CRYSTAL STRUCTURE OF HUMAN PI3K-GAMMA IN COMPLEX WITH CH5039699
Descriptor:Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, 3-[7-(1H-benzimidazol-5-yl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]phenol
Authors:Nakamura, M., Fukami, T.A., Miyazaki, T., Yoshida, M.
Deposit date:2010-10-14
Release date:2011-04-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799
Bioorg.Med.Chem.Lett., 21, 2011
1BTP
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UNIQUE BINDING OF A NOVEL SYNTHETIC INHIBITOR, N-[3-[4-[4-(AMIDINOPHENOXY)-CARBONYL]PHENYL]-2-METHYL-2-PROPENOYL]-N-ALLYLGLYCINE METHANESULFONATE TO BOVINE TRYPSIN, REVEALED BY THE CRYSTAL STRUCTURE OF THE COMPLEX
Descriptor:BETA-TRYPSIN, CALCIUM ION
Authors:Odagaki, Y., Nakai, H., Senokuchi, K., Kawamura, M., Hamanaka, N., Nakamura, M., Tomoo, K., Ishida, T.
Deposit date:1995-08-11
Release date:1996-01-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Unique binding of a novel synthetic inhibitor, N-[3-[4-[4-(amidinophenoxy)carbonyl]phenyl]-2-methyl-2-propenoyl]- N-allylglycine methanesulfonate, to bovine trypsin, revealed by the crystal structure of the complex.
Biochemistry, 34, 1995
5JGA
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CRYSTAL STRUCTURE OF HUMAN TAK1/TAB1 FUSION PROTEIN IN COMPLEX WITH LIGAND 11C
Descriptor:TAK1 kinase - TAB1 chimera fusion protein, N-[5-(4-methylpiperazine-1-carbonyl)[1,1'-biphenyl]-2-yl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide
Authors:Irie, M., Nakamura, M., Fukami, T.A., Matsuura, T., Morishima, K.
Deposit date:2016-04-19
Release date:2016-07-27
Last modified:2016-09-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD)
Bioorg.Med.Chem., 24, 2016
5JGB
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CRYSTAL STRUCTURE OF HUMAN TAK1/TAB1 FUSION PROTEIN IN COMPLEX WITH LIGAND 10
Descriptor:TAK1 kinase - TAB1 chimera fusion protein, N-(2-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide
Authors:Irie, M., Nakamura, M., Fukami, T.A., Matsuura, T., Morishima, K.
Deposit date:2016-04-20
Release date:2016-07-27
Last modified:2016-09-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD)
Bioorg.Med.Chem., 24, 2016
5JGD
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CRYSTAL STRUCTURE OF HUMAN TAK1/TAB1 FUSION PROTEIN IN COMPLEX WITH LIGAND 12
Descriptor:TAK1 kinase - TAB1 chimera fusion protein, N-(2-isopropoxy-3-(4-methylpiperazine-1-carbonyl)phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide
Authors:Irie, M., Nakamura, M., Fukami, T.A., Matsuura, T., Morishima, K.
Deposit date:2016-04-20
Release date:2016-07-27
Last modified:2016-09-07
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD)
Bioorg.Med.Chem., 24, 2016
1UJ3
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CRYSTAL STRUCTURE OF A HUMANIZED FAB FRAGMENT OF ANTI-TISSUE-FACTOR ANTIBODY IN COMPLEX WITH TISSUE FACTOR
Descriptor:IgG Fab light chain, IgG Fab heavy chain, tissue factor
Authors:Ohto, U., Mizutani, R., Nakamura, M., Adachi, H., Satow, Y.
Deposit date:2003-07-25
Release date:2004-07-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a humanized Fab fragment of anti-tissue-factor antibody in complex with tissue factor.
J.Synchrotron Radiat., 11, 2004
5ZF4
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STRUCTURE OF HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH 275-10-COOME
Descriptor:Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Miyazaki, Y., Inaoka, K.D., Shiba, T., Saimoto, H., Amalia, E., Kido, Y., Sakai, C., Nakamura, M., Moore, L.A., Harada, S., Kita, K.
Deposit date:2018-03-02
Release date:2018-09-26
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
5ZF7
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STRUCTURE OF HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH 277-9-OH
Descriptor:Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Miyazaki, Y., Inaoka, K.D., Shiba, T., Saimoto, H., Amalia, E., Kido, Y., Sakai, C., Nakamura, M., Moore, L.A., Harada, S., Kita, K.
Deposit date:2018-03-02
Release date:2018-09-26
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
5ZF8
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STRUCTURE OF HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH 277-11-OAC
Descriptor:Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Miyazaki, Y., Inaoka, K.D., Shiba, T., Saimoto, H., Amalia, E., Kido, Y., Sakai, C., Nakamura, M., Moore, L.A., Harada, S., Kita, K.
Deposit date:2018-03-02
Release date:2018-09-26
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
5ZF9
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STRUCTURE OF HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH 280-12
Descriptor:Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Miyazaki, Y., Inaoka, K.D., Shiba, T., Saimoto, H., Amalia, E., Kido, Y., Sakai, C., Nakamura, M., Moore, L.A., Harada, S., Kita, K.
Deposit date:2018-03-02
Release date:2018-09-26
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
5ZFA
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STRUCTURE OF HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH 287-12-OCOIPR
Descriptor:Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Miyazaki, Y., Inaoka, K.D., Shiba, T., Saimoto, H., Amalia, E., Kido, Y., Sakai, C., Nakamura, M., Moore, L.A., Harada, S., Kita, K.
Deposit date:2018-03-02
Release date:2018-09-26
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
5ZFB
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STRUCTURE OF HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH ASCOFURANONE (OPEN-FORM)
Descriptor:Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Miyazaki, Y., Inaoka, K.D., Shiba, T., Saimoto, H., Amalia, E., Kido, Y., Sakai, C., Nakamura, M., Moore, L.A., Harada, S., Kita, K.
Deposit date:2018-03-02
Release date:2018-09-26
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
2DLC
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CRYSTAL STRUCTURE OF THE TERNARY COMPLEX OF YEAST TYROSYL-TRNA SYNTHETASE
Descriptor:T-RNA (76-MER), Tyrosyl-tRNA synthetase, cytoplasmic, ...
Authors:Tsunoda, M., Kusakabe, Y., Tanaka, N., Nakamura, K.T.
Deposit date:2006-04-18
Release date:2007-06-12
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for recognition of cognate tRNA by tyrosyl-tRNA synthetase from three kingdoms.
Nucleic Acids Res., 35, 2007
4FXC
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TERTIARY STRUCTURE OF [2FE-2S] FERREDOXIN FROM SPIRULINA PLATENSIS REFINED AT 2.5 ANGSTROMS RESOLUTION: STRUCTURAL COMPARISONS OF PLANT-TYPE FERREDOXINS AND AN ELECTROSTATIC POTENTIAL ANALYSIS
Descriptor:FERREDOXIN, FE2/S2 (INORGANIC) CLUSTER
Authors:Fukuyama, K., Tsukihara, T.
Deposit date:1995-04-25
Release date:1995-12-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Tertiary structure of [2Fe-2S] ferredoxin from Spirulina platensis refined at 2.5 A resolution: structural comparisons of plant-type ferredoxins and an electrostatic potential analysis.
J.Biochem.(Tokyo), 117, 1995
5GJD
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CRYSTAL STRUCTURE OF HUMAN TAK1/TAB1 FUSION PROTEIN IN COMPLEX WITH LIGAND 2
Descriptor:TAK1 kinase - TAB1 chimera fusion protein, 1-(4-((1H-pyrrolo[2,3-b]pyridin-4-yl)oxy)phenyl)-3-(5-(4-methylpiperazin-1-yl)naphthalen-2-yl)urea
Authors:Irie, M., Nakamura, M., Fukami, T.A., Matsuura, T., Morishima, K.
Deposit date:2016-06-29
Release date:2016-11-16
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016
5GJF
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CRYSTAL STRUCTURE OF HUMAN TAK1/TAB1 FUSION PROTEIN IN COMPLEX WITH LIGAND 3
Descriptor:TAK1 kinase - TAB1 chimera fusion protein, N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(3-phenylureido)phenyl)thiazole-4-carboxamide
Authors:Irie, M., Nakamura, M., Fukami, T.A., Matsuura, T., Morishima, K.
Deposit date:2016-06-29
Release date:2016-11-16
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016
5GJG
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CRYSTAL STRUCTURE OF HUMAN TAK1/TAB1 FUSION PROTEIN IN COMPLEX WITH LIGAND 4
Descriptor:TAK1 kinase - TAB1 chimera fusion protein, N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(phenylcarbamoyl)phenyl)thiazole-4-carboxamide
Authors:Irie, M., Nakamura, M., Fukami, T.A., Matsuura, T., Morishima, K.
Deposit date:2016-06-29
Release date:2016-11-16
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016
5X33
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LEUKOTRIENE B4 RECEPTOR BLT1 IN COMPLEX WITH BIIL260
Descriptor:LTB4 receptor,Lysozyme,LTB4 receptor, 4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzenecarboximidamide
Authors:Hori, T., Hirata, K., Yamashita, K., Kawano, Y., Yamamoto, M., Yokoyama, S.
Deposit date:2017-02-03
Release date:2018-01-03
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Na+-mimicking ligands stabilize the inactive state of leukotriene B4receptor BLT1.
Nat. Chem. Biol., 14, 2018
3VJK
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CRYSTAL STRUCTURE OF HUMAN DEPIPTIDYL PEPTIDASE IV (DPP-4) IN COMPLEX WITH MP-513
Descriptor:Dipeptidyl peptidase 4, {(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl}(1,3-thiazolidin-3-yl)methanone, N-ACETYL-D-GLUCOSAMINE
Authors:Akahoshi, F., Kishida, H., Miyaguchi, I., Yoshida, T., Ishii, S.
Deposit date:2011-10-24
Release date:2012-10-24
Last modified:2016-08-24
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Discovery and preclinical profile of teneligliptin (3-[(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-ylcarbonyl]thiazolidine): A highly potent, selective, long-lasting and orally active dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem., 20, 2012
3VJL
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CRYSTAL STRUCTURE OF HUMAN DEPIPTIDYL PEPTIDASE IV (DPP-4) IN COMPLEX WITH A PROLYLTHIAZOLIDINE INHIBITOR #2
Descriptor:Dipeptidyl peptidase 4, [(2S,4S)-4-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl}pyrrolidin-2-yl](1,3-thiazolidin-3-yl)methanone, N-ACETYL-D-GLUCOSAMINE
Authors:Akahoshi, F., Kishida, H., Miyaguchi, I., Yoshida, T., Ishii, S.
Deposit date:2011-10-24
Release date:2012-10-24
Method:X-RAY DIFFRACTION (2.393 Å)
Cite:Discovery and preclinical profile of teneligliptin (3-[(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-ylcarbonyl]thiazolidine): A highly potent, selective, long-lasting and orally active dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem., 20, 2012
1I2H
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CRYSTAL STRUCTURE ANALYSIS OF PSD-ZIP45(HOMER1C/VESL-1L)CONSERVED HOMER 1 DOMAIN
Descriptor:PSD-ZIP45(HOMER-1C/VESL-1L)
Authors:Irie, K., Nakatsu, T., Mitsuoka, K., Fujiyoshi, Y., Kato, H.
Deposit date:2001-02-09
Release date:2002-05-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the Homer 1 Family Conserved Region Reveals the Interaction Between the EVH1 Domain and Own Proline-rich Motif
J.Mol.Biol., 318, 2002