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5CEH
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STRUCTURE OF HISTONE LYSINE DEMETHYLASE KDM5A IN COMPLEX WITH SELECTIVE INHIBITOR
分子名称:Lysine-specific demethylase 5A, Unknown Peptide, NICKEL (II) ION, ...
著者Kiefer, J.R., Vinogradova, M.
登録日2015-07-06
公開日2016-05-18
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献An inhibitor of KDM5 demethylases reduces survival of drug-tolerant cancer cells.
Nat.Chem.Biol., 12, 2016
5V9P
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CRYSTAL STRUCTURE OF PYRROLIDINE AMIDE INHIBITOR [(3S)-3-(4-BROMO-1H-PYRAZOL-1-YL)PYRROLIDIN-1-YL][3-(PROPAN-2-YL)-1H-PYRAZOL-5-YL]METHANONE (COMPOUND 35) IN COMPLEX WITH KDM5A
分子名称:Lysine-specific demethylase 5A, NICKEL (II) ION, ZINC ION, ...
著者Kiefer, J.R., Liang, J., Vinogradova, M.
登録日2017-03-23
公開日2017-05-10
最終更新日2017-06-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5V9T
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CRYSTAL STRUCTURE OF SELECTIVE PYRROLIDINE AMIDE KDM5A INHIBITOR N-{(3R)-1-[3-(PROPAN-2-YL)-1H-PYRAZOLE-5-CARBONYL]PYRROLIDIN-3-YL}CYCLOPROPANECARBOXAMIDE (COMPOUND 48)
分子名称:Lysine-specific demethylase 5A, NICKEL (II) ION, ZINC ION, ...
著者Kiefer, J.R., Liang, J., Vinogradova, M.
登録日2017-03-23
公開日2017-05-10
最終更新日2017-06-14
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
6DF6
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CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR ALPHA IN COMPLEX WITH RECEPTOR DEGRADER 16AB
分子名称:Estrogen receptor, (8R)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol, GLYCEROL
著者Kiefer, J.R., Vinogradova, M., Liang, J., Zhang, B., Ortwine, D.F., Nettles, K.W., Nwachukwu, J.C.
登録日2018-05-14
公開日2019-02-20
最終更新日2019-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha.
Bioorg. Med. Chem. Lett., 29, 2019
6DFN
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CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR ALPHA IN COMPLEX WITH RECEPTOR DEGRADER 16AA
分子名称:Estrogen receptor, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, NICKEL (II) ION, ...
著者Kiefer, J.R., Vinogradova, M., Liang, J., Zhang, B., Ortwine, D.F., Nettles, K.W., Nwachukwu, J.C.
登録日2018-05-15
公開日2019-02-20
最終更新日2019-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha.
Bioorg. Med. Chem. Lett., 29, 2019
4FRZ
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ARABIDOPSIS KCBP MOTOR DOMAIN DIMERIZED VIA REGULATORY DOMAIN
分子名称:Kinesin-like calmodulin-binding protein, MAGNESIUM ION, ADENOSINE-5'-DIPHOSPHATE, ...
著者Vinogradova, M.
登録日2012-06-26
公開日2013-07-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Plant Kinesin-Like Calmodulin Binding Protein Employs Its Regulatory Domain for Dimerization.
Plos One, 8, 2013
5K4L
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CRYSTAL STRUCTURE OF KDM5A IN COMPLEX WITH A NAPHTHYRIDONE INHIBITOR
分子名称:Lysine-specific demethylase 5A, Unknown Peptide, NICKEL (II) ION, ...
著者Kiefer, J.R., Vinogradova, M.V.
登録日2016-05-20
公開日2016-08-10
最終更新日2016-09-07
実験手法X-RAY DIFFRACTION (3.179 Å)
主引用文献Design and evaluation of 1,7-naphthyridones as novel KDM5 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
6PET
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CRYSTAL STRUCTURE OF 8-HYDROXYCHROMENE COMPOUND 30 BOUND TO ESTROGEN RECEPTOR ALPHA
分子名称:Estrogen receptor, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-8-ol, ...
著者Kiefer, J.R., Vinogradova, M., Liang, J., Wang, X., Zbieg, J., Labadie, S.S., Zhang, B., Li, J., Liang, W.
登録日2019-06-20
公開日2019-07-17
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献Discovery of a C-8 Hydroxychromene as a Potent Degrader of Estrogen Receptor alpha with Improved Rat Oral Exposure over GDC-0927
Bioorg.Med.Chem.Lett., 2019
6PFM
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CRYSTAL STRUCTURE OF GDC-0927 BOUND TO ESTROGEN RECEPTOR ALPHA
分子名称:Estrogen receptor, (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-6-ol
著者Kiefer, J.R., Vinogradova, M., Liang, J., Zhang, B., Wang, X., Zbieg, J.R., Labadie, S.S., Li, J., Ray, N.C., Ortwine, D.
登録日2019-06-21
公開日2019-07-17
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Discovery of a C-8 Hydroxychromene as a Potent Degrader of Estrogen Receptor alpha with Improved Rat Oral Exposure over GDC-0927
Bioorg.Med.Chem.Lett., 2019