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1IY8
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CRYSTAL STRUCTURE OF LEVODIONE REDUCTASE
Descriptor:LEVODIONE REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, (4R)-2-METHYLPENTANE-2,4-DIOL
Authors:Sogabe, S., Fukami, T., Shiratori, Y., Yoshizumi, A., Wada, M.
Deposit date:2002-07-25
Release date:2003-05-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Crystal Structure and Stereospecificity of Levodione Reductase from Corynebacterium aquaticum M-13
J.BIOL.CHEM., 278, 2003
3W2O
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EGFR KINASE DOMAIN T790M/L858R MUTANT WITH TAK-285
Descriptor:Epidermal growth factor receptor, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide
Authors:Sogabe, S., Kawakita, Y., Igaki, S.
Deposit date:2012-12-03
Release date:2013-01-16
Last modified:2013-08-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors
ACS MED.CHEM.LETT., 4, 2013
3W2P
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EGFR KINASE DOMAIN T790M/L858R MUTANT WITH COMPOUND 2
Descriptor:Epidermal growth factor receptor, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide
Authors:Sogabe, S., Kawakita, Y., Igaki, S.
Deposit date:2012-12-03
Release date:2013-01-16
Last modified:2013-08-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors
ACS MED.CHEM.LETT., 4, 2013
3W2Q
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EGFR KINASE DOMAIN T790M/L858R MUTANT WITH HKI-272
Descriptor:Epidermal growth factor receptor, N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Sogabe, S., Kawakita, Y., Igaki, S.
Deposit date:2012-12-03
Release date:2013-01-16
Last modified:2013-08-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors
ACS MED.CHEM.LETT., 4, 2013
3W2R
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EGFR KINASE DOMAIN T790M/L858R MUTANT WITH COMPOUND 4
Descriptor:Epidermal growth factor receptor, 1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea, 1,2-ETHANEDIOL
Authors:Sogabe, S., Kawakita, Y., Igaki, S.
Deposit date:2012-12-03
Release date:2013-01-16
Last modified:2013-08-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors
ACS MED.CHEM.LETT., 4, 2013
3W2S
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EGFR KINASE DOMAIN WITH COMPOUND4
Descriptor:Epidermal growth factor receptor, 1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea, SULFATE ION
Authors:Sogabe, S., Kawakita, Y., Igaki, S.
Deposit date:2012-12-03
Release date:2013-01-16
Last modified:2013-08-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors
ACS MED.CHEM.LETT., 4, 2013
5XCO
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CRYSTAL STRUCTURE OF HUMAN K-RAS G12D MUTANT IN COMPLEX WITH GDP AND CYCLIC INHIBITORY PEPTIDE
Descriptor:GTPase KRas, ACE-ARG-ARG-ARG-ARG-CYS-PRO-LEU-TYR-ILE-SER-TYR-ASP-PRO-VAL-CYS-ARG-ARG-ARG-ARG-NH2, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Sogabe, S., Miwa, M.
Deposit date:2017-03-23
Release date:2017-05-24
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal Structure of a Human K-Ras G12D Mutant in Complex with GDP and the Cyclic Inhibitory Peptide KRpep-2d
ACS Med Chem Lett, 8, 2017
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
5X54
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CRYSTAL STRUCTURE OF THE KEAP1 KELCH DOMAIN IN COMPLEX WITH A TETRAPEPTIDE
Descriptor:Kelch-like ECH-associated protein 1, ACE-GLU-TRP-TRP-TRP, ACETATE ION
Authors:Sogabe, S., Kadotani, A., Lane, W., Snell, G.
Deposit date:2017-02-14
Release date:2017-03-29
Last modified:2017-04-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a Kelch-like ECH-associated protein 1-inhibitory tetrapeptide and its structural characterization
Biochem. Biophys. Res. Commun., 486, 2017
1CO6
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CRYSTAL STRUCTURE OF FERROCYTOCHROME C2 FROM RHODOPSEUDOMONAS VIRIDIS
Descriptor:PROTEIN (CYTOCHROME C2), PROTOPORPHYRIN IX CONTAINING FE
Authors:Miki, K., Sogabe, S.
Deposit date:1999-06-05
Release date:1999-06-18
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Refined crystal structure of ferrocytochrome c2 from Rhodopseudomonas viridis at 1.6 A resolution.
J.Mol.Biol., 252, 1995
1IO3
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CRYSTAL STRUCTURE OF FERRICYTOCHROME C2 FROM RHODOPSEUDOMONAS VIRIDIS
Descriptor:CYTOCHROME C2, PROTOPORPHYRIN IX CONTAINING FE
Authors:Miki, K., Sogabe, S.
Deposit date:2001-01-06
Release date:2001-04-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the oxidized cytochrome c(2) from Blastochloris viridis.
FEBS Lett., 491, 2001
2ZDT
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CRYSTAL STRUCTURE OF HUMAN JNK3 COMPLEXED WITH AN ISOQUINOLONE INHIBITOR
Descriptor:Mitogen-activated protein kinase 10, 4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2(1H)-yl)methyl]benzoic acid, GLYCEROL
Authors:Sogabe, S., Asano, Y., Fukumoto, S., Habuka, N., Fujishima, A.
Deposit date:2007-11-27
Release date:2008-09-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor:Mitogen-activated protein kinase 10, 4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1H)-yl]methyl}phenyl)amino]-4-oxobutanoic acid
Authors:Sogabe, S., Ohra, T., Itoh, F., Habuka, N., Fujishima, A.
Deposit date:2007-11-27
Release date:2008-09-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (1)
Bioorg.Med.Chem., 16, 2008
3WFF
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MINERALOCORTICOID RECEPTOR LIGAND-BINDING DOMAIN WITH COMPUOND 2B
Descriptor:Mineralocorticoid receptor, 6-[4-(2,4-difluorophenyl)-5-oxo-2,5-dihydrofuran-3-yl]-2H-1,4-benzoxazin-3(4H)-one, PHOSPHATE ION
Authors:Sogabe, S., Habuka, N.
Deposit date:2013-07-19
Release date:2013-08-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: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
Authors:Sogabe, S., Habuka, N.
Deposit date:2013-07-19
Release date:2013-08-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
3WIX
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CRYSTAL STRUCTURE OF MCL-1 IN COMPLEX WITH COMPOUND 4
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, 7-(4-carboxyphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid
Authors:Sogabe, S., Igaki, S., Hayano, Y.
Deposit date:2013-09-26
Release date:2013-11-27
Last modified:2014-03-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of potent Mcl-1/Bcl-xL dual inhibitors by using a hybridization strategy based on structural analysis of target proteins.
J.Med.Chem., 56, 2013
3WIY
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CRYSTAL STRUCTURE OF MCL-1 IN COMPLEX WITH COMPOUND 10
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, 7-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid
Authors:Sogabe, S., Igaki, S., Hayano, Y.
Deposit date:2013-09-26
Release date:2013-11-27
Last modified:2014-03-12
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of potent Mcl-1/Bcl-xL dual inhibitors by using a hybridization strategy based on structural analysis of target proteins.
J.Med.Chem., 56, 2013
3WIZ
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CRYSTAL STRUCTURE OF BCL-XL IN COMPLEX WITH COMPOUND 10
Descriptor:Bcl-2-like protein 1, 7-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid, PHOSPHATE ION
Authors:Sogabe, S., Igaki, S., Hayano, Y.
Deposit date:2013-09-26
Release date:2013-11-27
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of potent Mcl-1/Bcl-xL dual inhibitors by using a hybridization strategy based on structural analysis of target proteins.
J.Med.Chem., 56, 2013
4PF3
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MINERALOCORTICOID RECEPTOR LIGAND-BINDING DOMAIN WITH COMPUOND 37A
Descriptor: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
Authors:Sogabe, S., Habuka, N.
Deposit date:2014-04-28
Release date:2014-11-26
Method:X-RAY DIFFRACTION (1.1 Å)
Cite: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
5ZG0
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CRYSTAL STRUCTURE OF THE GLUA2O LBD IN COMPLEX WITH GLUTAMATE AND COMPOUND-1
Descriptor:Glutamate receptor 2, GLUTAMIC ACID, ZINC ION, ...
Authors:Sogabe, S., Igaki, S., Hirokawa, A., Zama, Y., Lane, W., Snell, G.
Deposit date:2018-03-07
Release date:2019-01-16
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
5ZG1
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CRYSTAL STRUCTURE OF THE GLUA2O LBD IN COMPLEX WITH GLUTAMATE AND COMPOUND-2
Descriptor:Glutamate receptor 2, GLUTAMIC ACID, 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide, ...
Authors:Sogabe, S., Igaki, S., Hirokawa, A., Zama, Y., Lane, W., Snell, G.
Deposit date:2018-03-07
Release date:2019-01-16
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
5ZG2
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CRYSTAL STRUCTURE OF THE GLUA2O LBD IN COMPLEX WITH ZK200775 AND COMPOUND-2
Descriptor:Glutamate receptor 2, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid, 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide, ...
Authors:Sogabe, S., Igaki, S., Hirokawa, A., Zama, Y., Lane, W., Snell, G.
Deposit date:2018-03-07
Release date:2019-01-16
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
5ZG3
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CRYSTAL STRUCTURE OF THE GLUA2O LBD IN COMPLEX WITH GLUTAMATE AND TAK-137
Descriptor:Glutamate receptor 2, 9-(4-phenoxyphenyl)-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione, GLUTAMIC ACID, ...
Authors:Sogabe, S., Igaki, S., Hirokawa, A., Zama, Y., Lane, W., Snell, G.
Deposit date:2018-03-07
Release date:2019-01-16
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
3VHU
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MINERALOCORTICOID RECEPTOR LIGAND-BINDING DOMAIN WITH SPIRONOLACTONE
Descriptor:Mineralocorticoid receptor, SPIRONOLACTONE
Authors:Sogabe, S., Habuka, N.
Deposit date:2011-09-07
Release date:2011-12-28
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Identification of Benzoxazin-3-one Derivatives as Novel, Potent, and Selective Nonsteroidal Mineralocorticoid Receptor Antagonists
J.Med.Chem., 54, 2011
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