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6I67
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BU of 6i67 by Molmil
Crystal structure of human ERRg LBD in complex with tetrahydro-2-naphtol
Descriptor: 5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen-related receptor gamma, GLYCEROL
Authors:Delfosse, V, Blanc, P, Bourguet, W.
Deposit date:2018-11-15
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors.
Cell.Mol.Life Sci., 76, 2019
6I65
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BU of 6i65 by Molmil
Crystal structure of human ERRg LBD in complex with 4-iso-propylphenol
Descriptor: 4-propan-2-ylphenol, Estrogen-related receptor gamma
Authors:Delfosse, V, Blanc, P, Bourguet, W.
Deposit date:2018-11-15
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors.
Cell.Mol.Life Sci., 76, 2019
6I63
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BU of 6i63 by Molmil
Crystal structure of human ERRg LBD in complex with bisphenol-A
Descriptor: 4,4'-PROPANE-2,2-DIYLDIPHENOL, Estrogen-related receptor gamma
Authors:Delfosse, V, Blanc, P, Bourguet, W.
Deposit date:2018-11-15
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.229 Å)
Cite:Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors.
Cell.Mol.Life Sci., 76, 2019
6I61
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BU of 6i61 by Molmil
Crystal structure of human ERRg LBD in complex with bisphenol-B
Descriptor: 1,2-ETHANEDIOL, Estrogen-related receptor gamma, GLYCEROL, ...
Authors:Delfosse, V, Blanc, P, Bourguet, W.
Deposit date:2018-11-15
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors.
Cell.Mol.Life Sci., 76, 2019
4HCU
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BU of 4hcu by Molmil
Crystal structure of ITK in complext with compound 40
Descriptor: 3-{4-amino-1-[(3R)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.
Deposit date:2012-10-01
Release date:2012-11-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Covalent inhibitors of interleukin-2 inducible T cell kinase (itk) with nanomolar potency in a whole-blood assay.
J.Med.Chem., 55, 2012
3TUB
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BU of 3tub by Molmil
Crystal structure of SYK kinase domain with 1-(5-(6,7-dimethoxyquinolin-4-yloxy)pyridin-2-yl)-3-((1R,2S)-2-phenylcyclopropyl)urea
Descriptor: 1-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-3-[(1R,2S)-2-phenylcyclopropyl]urea, Tyrosine-protein kinase SYK
Authors:Han, S.
Deposit date:2011-09-16
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Identification of Type-II Inhibitors Using Kinase Structures.
Chem.Biol.Drug Des., 80, 2012
3T9T
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BU of 3t9t by Molmil
Crystal structure of BTK mutant (F435T,K596R) complexed with Imidazo[1,5-a]quinoxaline
Descriptor: (2Z)-4-(dimethylamino)-N-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-N-methylbut-2-enamide, GLYCEROL, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.
Deposit date:2011-08-03
Release date:2011-10-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Imidazo[1,5-a]quinoxalines as irreversible BTK inhibitors for the treatment of rheumatoid arthritis.
Bioorg.Med.Chem.Lett., 21, 2011
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