Author results

1IOK
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CRYSTAL STRUCTURE OF CHAPERONIN-60 FROM PARACOCCUS DENITRIFICANS
Descriptor:CHAPERONIN 60
Authors:Fukami, T.A., Yohda, M., Taguchi, H., Yoshida, M., Miki, K.
Deposit date:2001-03-16
Release date:2001-10-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of chaperonin-60 from Paracoccus denitrificans.
J.Mol.Biol., 312, 2001
2ZIR
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CRYSTAL STRUCTURE OF RAT PROTEIN FARNESYLTRANSFERASE COMPLEXED WITH A BENZOFURAN INHIBITOR AND FPP
Descriptor:Protein farnesyltransferase subunit alpha, Protein farnesyltransferase subunit beta, GLYCEROL, ...
Authors:Fukami, T.A., Sogabe, S., Nagata, Y., Kondoh, O., Ishii, N.
Deposit date:2008-02-22
Release date:2009-02-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Synthesis and structure-activity relationships of novel benzofuran farnesyltransferase inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
2ZIS
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CRYSTAL STRUCTURE OF RAT PROTEIN FARNESYLTRANSFERASE COMPLEXED WITH A BEZORURAN INHIBITOR AND FPP
Descriptor:Protein farnesyltransferase subunit alpha, Protein farnesyltransferase subunit beta, ACETIC ACID, ...
Authors:Fukami, T.A., Sogabe, S., Nagata, Y., Kondoh, O., Ishii, N.
Deposit date:2008-02-22
Release date:2009-02-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Synthesis and structure-activity relationships of novel benzofuran farnesyltransferase inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
3A4P
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HUMAN C-MET KINASE DOMAIN COMPLEXED WITH 6-BENZYLOXYQUINOLINE INHIBITOR
Descriptor:Hepatocyte growth factor receptor, CHLORIDE ION, ISOPROPYL ALCOHOL, ...
Authors:Fukami, T.A., Kadono, S., Yamamuro, M., Matsuura, T.
Deposit date:2009-07-13
Release date:2010-02-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Discovery of 6-benzyloxyquinolines as c-Met selective kinase inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3B24
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HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN AMINOTRIAZINE FRAGMENT MOLECULE
Descriptor:Heat shock protein HSP 90-alpha, MAGNESIUM ION, 4-(ethylsulfanyl)-6-methyl-1,3,5-triazin-2-amine
Authors:Fukami, T.A., Ono, N.
Deposit date:2011-07-21
Release date:2011-09-14
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design
Bioorg.Med.Chem.Lett., 21, 2011
3B25
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HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN INHIBITOR CH4675194
Descriptor:Heat shock protein HSP 90-alpha, 4-Methyl-6-(toluene-4-sulfonyl)-pyrimidin-2-ylamine
Authors:Fukami, T.A., Ono, N.
Deposit date:2011-07-21
Release date:2011-09-14
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design
Bioorg.Med.Chem.Lett., 21, 2011
3B26
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HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN INHIBITOR RO1127850
Descriptor:Heat shock protein HSP 90-alpha, 4-(1H,3H-benzo[de]isochromen-6-yl)-6-methylpyrimidin-2-amine
Authors:Fukami, T.A., Ono, N.
Deposit date:2011-07-21
Release date:2011-09-14
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design
Bioorg.Med.Chem.Lett., 21, 2011
3B27
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HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN INHIBITOR RO4919127
Descriptor:Heat shock protein HSP 90-alpha, 4-(2-chlorophenyl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine
Authors:Fukami, T.A., Ono, N.
Deposit date:2011-07-21
Release date:2011-09-14
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design
Bioorg.Med.Chem.Lett., 21, 2011
3B28
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HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH AN INHIBITOR CH5015765
Descriptor:Heat shock protein HSP 90-alpha, GLYCEROL, 4-(5-chloro-1H,3H-benzo[de]isochromen-6-yl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine, ...
Authors:Fukami, T.A., Ono, N.
Deposit date:2011-07-21
Release date:2011-09-14
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design
Bioorg.Med.Chem.Lett., 21, 2011
3VHA
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HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH A MACROCYCLIC INHIBITOR
Descriptor:Heat shock protein HSP 90-alpha, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine
Authors:Fukami, T.A., Ono, N.
Deposit date:2011-08-24
Release date:2012-07-18
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
3VHC
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HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH A MACROCYCLIC INHIBITOR
Descriptor:Heat shock protein HSP 90-alpha, 4-amino-20,22-dimethyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one, MAGNESIUM ION
Authors:Fukami, T.A., Ono, N.
Deposit date:2011-08-24
Release date:2012-07-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
3VHD
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HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH A MACROCYCLIC INHIBITOR, CH5164840
Descriptor:Heat shock protein HSP 90-alpha, 4-amino-18,20-dimethyl-7-thia-3,5,11,15-tetraazatricyclo[15.3.1.1(2,6)]docosa-1(20),2,4,6(22),17(21),18-hexaene-10,16-dione
Authors:Fukami, T.A., Ono, N.
Deposit date:2011-08-24
Release date:2012-07-18
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
3VW9
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HUMAN GLYOXALASE I WITH AN N-HYDROXYPYRIDONE INHIBITOR
Descriptor:Lactoylglutathione lyase, ZINC ION, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Fukami, T.A., Irie, M., Matsuura, T.
Deposit date:2012-08-10
Release date:2012-12-12
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Design and evaluation of azaindole-substituted N-hydroxypyridones as glyoxalase I inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
3W0T
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HUMAN GLYOXALASE I WITH AN N-HYDROXYPYRIDONE DERIVATIVE INHIBITOR
Descriptor:Lactoylglutathione lyase, ZINC ION, N-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide, ...
Authors:Fukami, T.A., Irie, M., Matsuura, T.
Deposit date:2012-11-02
Release date:2013-11-06
Method:X-RAY DIFFRACTION (1.351 Å)
Cite:N-Hydroxypyridone-based glyoxalase I inhibitors mimicking binding interactions of the substrate
To be Published
3W0U
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HUMAN GLYOXALASE I WITH AN N-HYDROXYPYRIDONE INHIBITOR
Descriptor:Lactoylglutathione lyase, ZINC ION, N-[3-(1-Hydroxy-6-oxo-4-phenyl-1,6-dihydro-pyridin-2-yl)-5-methanesulfonylamino-phenyl]-methanesulfonamide
Authors:Fukami, T.A., Irie, M., Matsuura, T.
Deposit date:2012-11-02
Release date:2013-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:N-Hydroxypyridone-based glyoxalase I inhibitors mimicking binding interactions of the substrate
to be published
3WHA
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HSP90 ALPHA N-TERMINAL DOMAIN IN COMPLEX WITH A TRICYCLIC INHIBITOR
Descriptor:Heat shock protein HSP 90-alpha, GLYCEROL, 4-{[4-amino-6-(5-chloro-1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazin-2-yl]sulfanyl}butanamide, ...
Authors:Fukami, T.A., Ono, N.
Deposit date:2013-08-23
Release date:2014-01-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Design and synthesis of 2-amino-6-(1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazines as novel Hsp90 inhibitors
Bioorg.Med.Chem., 22, 2014
1IYK
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CRYSTAL STRUCTURE OF CANDIDA ALBICANS N-MYRISTOYLTRANSFERASE WITH MYRISTOYL-COA AND PEPTIDIC INHIBITOR
Descriptor:MYRISTOYL-COA:PROTEIN N-MYRISTOYLTRANSFERASE, TETRADECANOYL-COA, [CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-1-IMIDAZOLYL-BUTYL]PHENYL]ACETYL]-SERYL]-LYSINYL]-AMINE
Authors:Sogabe, S., Fukami, T.A., Morikami, K., Shiratori, Y., Aoki, Y., D'Arcy, A., Winkler, F.K., Banner, D.W., Ohtsuka, T.
Deposit date:2002-08-29
Release date:2002-12-30
Last modified:2011-11-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of Candida albicans N-Myristoyltransferase with Two Distinct Inhibitors
CHEM.BIOL., 9, 2002
1IYL
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CRYSTAL STRUCTURE OF CANDIDA ALBICANS N-MYRISTOYLTRANSFERASE WITH NON-PEPTIDIC INHIBITOR
Descriptor:Myristoyl-CoA:Protein N-Myristoyltransferase, (1-METHYL-1H-IMIDAZOL-2-YL)-(3-METHYL-4-{3-[(PYRIDIN-3-YLMETHYL)-AMINO]-PROPOXY}-BENZOFURAN-2-YL)-METHANONE
Authors:Sogabe, S., Fukami, T.A., Morikami, K., Shiratori, Y., Aoki, Y., D'Arcy, A., Winkler, F.K., Banner, D.W., Ohtsuka, T.
Deposit date:2002-08-29
Release date:2002-12-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal Structures of Candida albicans N-Myristoyltransferase with Two Distinct Inhibitors
CHEM.BIOL., 9, 2002
2DKA
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CRYSTAL STRUCTURE OF N-ACETYLGLUCOSAMINE-PHOSPHATE MUTASE, A MEMBER OF THE ALPHA-D-PHOSPHOHEXOMUTASE SUPERFAMILY, IN THE APO-FORM
Descriptor:Phosphoacetylglucosamine mutase
Authors:Nishitani, Y., Maruyama, D., Nonaka, T., Kita, A., Fukami, T.A., Mio, T., Yamada-Okabe, H., Yamada-Okabe, T., Miki, K.
Deposit date:2006-04-07
Release date:2006-05-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal Structures of N-Acetylglucosamine-phosphate Mutase, a Member of the {alpha}-D-Phosphohexomutase Superfamily, and Its Substrate and Product Complexes.
J.Biol.Chem., 281, 2006
2DKC
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CRYSTAL STRUCTURE OF N-ACETYLGLUCOSAMINE-PHOSPHATE MUTASE, A MEMBER OF THE ALPHA-D-PHOSPHOHEXOMUTASE SUPERFAMILY, IN THE SUBSTRATE COMPLEX
Descriptor:Phosphoacetylglucosamine mutase, N-ACETYL-D-GLUCOSAMINE-6-PHOSPHATE, PHOSPHATE ION, ...
Authors:Nishitani, Y., Maruyama, D., Nonaka, T., Kita, A., Fukami, T.A., Mio, T., Yamada-Okabe, H., Yamada-Okabe, T., Miki, K.
Deposit date:2006-04-07
Release date:2006-05-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structures of N-Acetylglucosamine-phosphate Mutase, a Member of the {alpha}-D-Phosphohexomutase Superfamily, and Its Substrate and Product Complexes.
J.Biol.Chem., 281, 2006
2DKD
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CRYSTAL STRUCTURE OF N-ACETYLGLUCOSAMINE-PHOSPHATE MUTASE, A MEMBER OF THE ALPHA-D-PHOSPHOHEXOMUTASE SUPERFAMILY, IN THE PRODUCT COMPLEX
Descriptor:Phosphoacetylglucosamine mutase, N-ACETYL-ALPHA-D-GALACTOSAMINE 1-PHOSPHATE, PHOSPHATE ION, ...
Authors:Nishitani, Y., Maruyama, D., Nonaka, T., Kita, A., Fukami, T.A., Mio, T., Yamada-Okabe, H., Yamada-Okabe, T., Miki, K.
Deposit date:2006-04-07
Release date:2006-05-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of N-Acetylglucosamine-phosphate Mutase, a Member of the {alpha}-D-Phosphohexomutase Superfamily, and Its Substrate and Product Complexes.
J.Biol.Chem., 281, 2006
3AOX
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X-RAY CRYSTAL STRUCTURE OF HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH CH5424802
Descriptor:ALK tyrosine kinase receptor, 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile, 1,2-ETHANEDIOL
Authors:Nagel, S., Moertl, M., Jestel, A., Fukami, T.A.
Deposit date:2010-10-08
Release date:2011-05-25
Last modified:2012-04-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:CH5424802, a selective ALK inhibitor capable of blocking the resistant gatekeeper mutant
Cancer Cell, 19, 2011
5B7V
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HUMAN FGFR1 KINASE IN COMPLEX WITH CH5183284
Descriptor:Fibroblast growth factor receptor 1, [5-amino-1-(2-methyl-1H-benzimidazol-6-yl)-1H-pyrazol-4-yl](1H-indol-2-yl)methanone, SULFATE ION
Authors:Fukami, T.A., Lukacs, C.M., Janson, C.
Deposit date:2016-06-09
Release date:2016-06-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The fibroblast growth factor receptor genetic status as a potential predictor of the sensitivity to CH5183284/Debio 1347, a novel selective FGFR inhibitor
Mol.Cancer Ther., 13, 2014
2YQC
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CRYSTAL STRUCTURE OF URIDINE-DIPHOSPHO-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE FROM CANDIDA ALBICANS, IN THE APO-LIKE FORM
Descriptor:UDP-N-acetylglucosamine pyrophosphorylase, MAGNESIUM ION, GLYCEROL
Authors:Miki, K., Maruyama, D., Nishitani, Y., Nonaka, T., Kita, A.
Deposit date:2007-03-30
Release date:2007-05-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Uridine-diphospho-N-acetylglucosamine Pyrophosphorylase from Candida albicans and Catalytic Reaction Mechanism
J.Biol.Chem., 282, 2007
2YQH
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CRYSTAL STRUCTURE OF URIDINE-DIPHOSPHO-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE FROM CANDIDA ALBICANS, IN THE SUBSTRATE-BINDING FORM
Descriptor:UDP-N-acetylglucosamine pyrophosphorylase, 2-(ACETYLAMINO)-2-DEOXY-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE, SULFATE ION, ...
Authors:Miki, K., Maruyama, D., Nishitani, Y., Nonaka, T., Kita, A.
Deposit date:2007-03-30
Release date:2007-05-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Uridine-diphospho-N-acetylglucosamine Pyrophosphorylase from Candida albicans and Catalytic Reaction Mechanism
J.Biol.Chem., 282, 2007
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