Author results

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
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
5YBF
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CRYSTAL STRUCTURE OF THE GLUA2O LBD IN COMPLEX WITH GLUTAMATE AND HBT1
Descriptor:Glutamate receptor 2,Glutamate receptor 2, GLUTAMIC ACID, 2-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, ...
Authors:Sogabe, S., Igaki, S., Hirokawa, A., Zama, Y., Lane, W., Snell, G.
Deposit date:2017-09-04
Release date:2018-01-17
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:HBT1, a Novel AMPA Receptor Potentiator with Lower Agonistic Effect, Avoided Bell-Shaped Response in In Vitro BDNF Production.
J. Pharmacol. Exp. Ther., 364, 2018
5YBG
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CRYSTAL STRUCTURE OF THE GLUA2O LBD IN COMPLEX WITH GLUTAMATE AND LY451395
Descriptor:Glutamate receptor 2,Glutamate receptor 2, GLUTAMIC ACID, N-[(2R)-2-[4-[4-[2-(methylsulfonylamino)ethyl]phenyl]phenyl]propyl]propane-2-sulfonamide, ...
Authors:Sogabe, S., Igaki, S., Hirokawa, A., Zama, Y., Lane, W., Snell, G.
Deposit date:2017-09-04
Release date:2018-01-17
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:HBT1, a Novel AMPA Receptor Potentiator with Lower Agonistic Effect, Avoided Bell-Shaped Response in In Vitro BDNF Production.
J. Pharmacol. Exp. Ther., 364, 2018
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
5B4O
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CRYSTAL STRUCTURE OF MACROPHAGE MIGRATION INHIBITORY FACTOR IN COMPLEX WITH BTZO-14
Descriptor:Macrophage migration inhibitory factor, 2-pyridin-3-yl-1,3-benzothiazin-4-one, 1,2-ETHANEDIOL, ...
Authors:Oki, H., Igaki, S., Moriya, Y., Hayano, Y., Habuka, N.
Deposit date:2016-04-07
Release date:2016-04-20
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:BTZO-1, a cardioprotective agent, reveals that macrophage migration inhibitory factor regulates ARE-mediated gene expression
Chem. Biol., 17, 2010
4HBP
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CRYSTAL STRUCTURE OF FAAH IN COMPLEX WITH INHIBITOR
Descriptor:Fatty-acid amide hydrolase 1, 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl)piperazine-1-carboxamide
Authors:Behnke, C., Skene, R.J.
Deposit date:2012-09-28
Release date:2013-02-06
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Synthesis, SAR study, and biological evaluation of a series of piperazine ureas as fatty acid amide hydrolase (FAAH) inhibitors.
Bioorg.Med.Chem., 21, 2013