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2ZNN
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HUMAN PPAR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH A SYNTHETIC AGONIST TIPP703
Descriptor:Peroxisome proliferator-activated receptor alpha, (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid
Authors:Oyama, T., Toyota, K., Kasuga, J., Miyachi, H., Morikawa, K.
Deposit date:2008-04-30
Release date:2009-05-05
Last modified:2016-03-02
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
Acta Crystallogr.,Sect.D, 65, 2009
2ZNO
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HUMAN PPAR GAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH A SYNTHETIC AGONIST TIPP703
Descriptor:Peroxisome proliferator-activated receptor gamma, (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid
Authors:Oyama, T., Waku, T., Kasuga, J., Miyachi, H., Morikawa, K.
Deposit date:2008-04-30
Release date:2009-05-05
Last modified:2016-03-02
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
Acta Crystallogr.,Sect.D, 65, 2009
2ZNP
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HUMAN PPAR DELTA LIGAND BINDING DOMAIN IN COMPLEX WITH A SYNTHETIC AGONIST TIPP204
Descriptor:Peroxisome proliferator-activated receptor delta, HEPTYL-BETA-D-GLUCOPYRANOSIDE, (2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid
Authors:Oyama, T., Hirakawa, Y., Nagasawa, N., Miyachi, H., Morikawa, K.
Deposit date:2008-04-30
Release date:2009-05-05
Last modified:2016-03-02
Method:X-RAY DIFFRACTION (3 Å)
Cite:Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
Acta Crystallogr.,Sect.D, 65, 2009
2ZNQ
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HUMAN PPAR DELTA LIGAND BINDING DOMAIN IN COMPLEX WITH A SYNTHETIC AGONIST TIPP401
Descriptor:Peroxisome proliferator-activated receptor delta, HEPTYL-BETA-D-GLUCOPYRANOSIDE, (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid
Authors:Oyama, T., Hirakawa, Y., Nagasawa, N., Miyachi, H., Morikawa, K.
Deposit date:2008-04-30
Release date:2009-05-05
Last modified:2016-03-02
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
Acta Crystallogr.,Sect.D, 65, 2009
3AN3
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HUMAN PPAR GAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH A GAMMA SELECTIVE AGONIST MO3S
Descriptor:Peroxisome proliferator-activated receptor gamma, (2S)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid
Authors:Oyama, T., Ohashi, M., Waku, T., Miyachi, H., Morikawa, K.
Deposit date:2010-08-30
Release date:2011-07-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, Synthesis, and Structural Analysis of Phenylpropanoic Acid-Type PPAR gamma-Selective Agonists: Discovery of Reversed Stereochemistry-Activity Relationship
J.Med.Chem., 54, 2011
3AN4
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HUMAN PPAR GAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH A GAMMA SELECTIVE AGONIST MO4R
Descriptor:Peroxisome proliferator-activated receptor gamma, (2R)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid
Authors:Oyama, T., Ohashi, M., Waku, T., Miyachi, H., Morikawa, K.
Deposit date:2010-08-30
Release date:2011-07-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, Synthesis, and Structural Analysis of Phenylpropanoic Acid-Type PPAR gamma-Selective Agonists: Discovery of Reversed Stereochemistry-Activity Relationship
J.Med.Chem., 54, 2011
3VSO
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HUMAN PPAR GAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH A GAMMA SELECTIVE AGONIST MEKT21
Descriptor:Peroxisome proliferator-activated receptor gamma, (2R)-2-benzyl-3-[4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)phenyl]propanoic acid
Authors:Oyama, T., Waku, T., Ohashi, M., Morikawa, K., Miyachi, H.
Deposit date:2012-04-30
Release date:2013-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and synthesis of a series of alpha-benzyl phenylpropanoic acid-type peroxisome proliferator-activated receptor (PPAR) gamma partial agonists with improved aqueous solubility
Bioorg.Med.Chem., 21, 2013
3VI8
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HUMAN PPAR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH A SYNTHETIC AGONIST APHM13
Descriptor:Peroxisome proliferator-activated receptor alpha, (2S)-2-(4-methoxy-3-{[(pyren-1-ylcarbonyl)amino]methyl}benzyl)butanoic acid
Authors:Oyama, T., Miyachi, H., Morikawa, K.
Deposit date:2011-09-25
Release date:2012-08-29
Last modified:2016-03-02
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Peroxisome proliferator-activated receptors (PPARs) have multiple binding points that accommodate ligands in various conformations: phenylpropanoic acid-type PPAR ligands bind to PPAR in different conformations, depending on the subtype
J.Med.Chem., 55, 2012
3VSP
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HUMAN PPAR GAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH A GAMMA SELECTIVE AGONIST MEKT28
Descriptor:Peroxisome proliferator-activated receptor gamma, (2R)-2-benzyl-3-[3-({[4-(piperidin-1-yl)benzoyl]amino}methyl)-4-propoxyphenyl]propanoic acid
Authors:Oyama, T., Waku, T., Ohashi, M., Morikawa, K., Miyachi, H.
Deposit date:2012-04-30
Release date:2013-05-01
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Human PPAR gamma ligand binding domain in complex with a gamma selective agonist mekt28
To be Published
3W0G
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CRYSTAL STRUCTURE OF RAT VDR LIGAND BINDING DOMAIN IN COMPLEX WITH NOVEL NONSECOSTEROIDAL LIGANDS
Descriptor:Vitamin D3 receptor, Mediator of RNA polymerase II transcription subunit 1, (2S)-3-{4-[2-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)propan-2-yl]phenoxy}propane-1,2-diol
Authors:Shimizu, T., Asano, L., Kuwabara, N., Ito, I., Waku, T., Yanagisawa, J., Miyachi, H.
Deposit date:2012-10-30
Release date:2013-10-09
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural basis for vitamin D receptor agonism by novel non-secosteroidal ligands.
Febs Lett., 587, 2013
3W0H
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CRYSTAL STRUCTURE OF RAT VDR LIGAND BINDING DOMAIN IN COMPLEX WITH NOVEL NONSECOSTEROIDAL LIGANDS
Descriptor:Vitamin D3 receptor, Mediator of RNA polymerase II transcription subunit 1, (2S)-3-{4-[4-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)heptan-4-yl]phenoxy}propane-1,2-diol
Authors:Shimizu, T., Asano, L., Kuwabara, N., Ito, I., Waku, T., Yanagisawa, J., Miyachi, H.
Deposit date:2012-10-30
Release date:2013-10-09
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for vitamin D receptor agonism by novel non-secosteroidal ligands.
Febs Lett., 587, 2013
3W0I
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CRYSTAL STRUCTURE OF RAT VDR LIGAND BINDING DOMAIN IN COMPLEX WITH NOVEL NONSECOSTEROIDAL LIGANDS
Descriptor:Vitamin D3 Receptor, Mediator of RNA polymerase II transcription subunit 1, (2S)-3-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)pentan-3-yl]phenoxy}propane-1,2-diol
Authors:Shimizu, T., Asano, L., Kuwabara, N., Ito, I., Waku, T., Yanagisawa, J., Miyachi, H.
Deposit date:2012-10-30
Release date:2013-10-09
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for vitamin D receptor agonism by novel non-secosteroidal ligands.
Febs Lett., 587, 2013
3W0J
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CRYSTAL STRUCTURE OF RAT VDR LIGAND BINDING DOMAIN IN COMPLEX WITH NOVEL NONSECOSTEROIDAL LIGANDS
Descriptor:Vitamin D3 Receptor, Mediator of RNA polymerase II transcription subunit 1, (2S)-3-{4-[2-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propan-2-yl]-2-methylphenoxy}propane-1,2-diol
Authors:Shimizu, T., Asano, L., Kuwabara, N., Ito, I., Waku, T., Yanagisawa, J., Miyachi, H.
Deposit date:2012-10-30
Release date:2013-10-09
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural basis for vitamin D receptor agonism by novel non-secosteroidal ligands.
Febs Lett., 587, 2013
3WMH
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HUMAN PPAR GAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH A GAMMMA SELECTIVE SYNTHETIC PARTIAL AGONIST MEKT75
Descriptor:Peroxisome proliferator-activated receptor gamma, N-(phenylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide
Authors:Oyama, T., Ohashi, M., Miyachi, H., Kusunoki, M.
Deposit date:2013-11-19
Release date:2014-11-19
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human PPRR gamma ligand binding domain in complex with a gammma selective synthetic partial agonist MEKT75
TO BE PUBLISHED
4YT1
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HUMAN PPAR GAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH A GAMMMA SELECTIVE SYNTHETIC PARTIAL AGONIST MEKT76
Descriptor:Peroxisome proliferator-activated receptor gamma, N-(benzylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide
Authors:Oyama, T., Ohashi, M., Miyachi, H., Kusunoki, M.
Deposit date:2015-03-17
Release date:2016-03-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Peroxisome proliferator-activated receptor gamma (PPAR gamma ) has multiple binding points that accommodate ligands in various conformations: Structurally similar PPAR gamma partial agonists bind to PPAR gamma LBD in different conformations
Bioorg.Med.Chem.Lett., 25, 2015
3VJH
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HUMAN PPAR GAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH JKPL35
Descriptor:Peroxisome proliferator-activated receptor gamma, (2S)-2-[4-methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic acid
Authors:Tomioka, D., Kuwabara, N., Hashimoto, H., Sato, M., Shimizu, T.
Deposit date:2011-10-20
Release date:2012-08-29
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Peroxisome proliferator-activated receptors (PPARs) have multiple binding points that accommodate ligands in various conformations: phenylpropanoic acid-type PPAR ligands bind to PPAR in different conformations, depending on the subtype.
J.Med.Chem., 55, 2012
3VJI
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HUMAN PPAR GAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH JKPL53
Descriptor:Peroxisome proliferator-activated receptor gamma, (2S)-2-{4-butoxy-3-[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]benzoyl}amino)methyl]benzyl}butanoic acid
Authors:Tomioka, D., Kuwabara, N., Hashimoto, H., Sato, M., Shimizu, T.
Deposit date:2011-10-20
Release date:2012-08-29
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Peroxisome proliferator-activated receptors (PPARs) have multiple binding points that accommodate ligands in various conformations: phenylpropanoic acid-type PPAR ligands bind to PPAR in different conformations, depending on the subtype.
J.Med.Chem., 55, 2012