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5CEH
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STRUCTURE OF HISTONE LYSINE DEMETHYLASE KDM5A IN COMPLEX WITH SELECTIVE INHIBITOR
Descriptor:Lysine-specific demethylase 5A, Unknown Peptide, NICKEL (II) ION, ...
Authors:Kiefer, J.R., Vinogradova, M.
Deposit date:2015-07-06
Release date:2016-05-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.14 Å)
Cite: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
Descriptor:Lysine-specific demethylase 5A, NICKEL (II) ION, ZINC ION, ...
Authors:Kiefer, J.R., Liang, J., Vinogradova, M.
Deposit date:2017-03-23
Release date:2017-05-10
Last modified:2017-06-14
Method:X-RAY DIFFRACTION (3 Å)
Cite: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)
Descriptor:Lysine-specific demethylase 5A, NICKEL (II) ION, ZINC ION, ...
Authors:Kiefer, J.R., Liang, J., Vinogradova, M.
Deposit date:2017-03-23
Release date:2017-05-10
Last modified:2017-06-14
Method:X-RAY DIFFRACTION (3.05 Å)
Cite: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
Descriptor: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
Authors:Kiefer, J.R., Vinogradova, M., Liang, J., Zhang, B., Ortwine, D.F., Nettles, K.W., Nwachukwu, J.C.
Deposit date:2018-05-14
Release date:2019-02-20
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor:Estrogen receptor, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, NICKEL (II) ION, ...
Authors:Kiefer, J.R., Vinogradova, M., Liang, J., Zhang, B., Ortwine, D.F., Nettles, K.W., Nwachukwu, J.C.
Deposit date:2018-05-15
Release date:2019-02-20
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor:Kinesin-like calmodulin-binding protein, MAGNESIUM ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Vinogradova, M.
Deposit date:2012-06-26
Release date:2013-07-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor:Lysine-specific demethylase 5A, Unknown Peptide, NICKEL (II) ION, ...
Authors:Kiefer, J.R., Vinogradova, M.V.
Deposit date:2016-05-20
Release date:2016-08-10
Last modified:2016-09-07
Method:X-RAY DIFFRACTION (3.179 Å)
Cite:Design and evaluation of 1,7-naphthyridones as novel KDM5 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016