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2HJW
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BU of 2hjw by Molmil
Crystal Structure of the BC domain of ACC2
Descriptor: Acetyl-CoA carboxylase 2
Authors:Cho, Y.S, Lee, J.I, Shin, D, Kim, H.T, Lee, T.G, Heo, Y.S.
Deposit date:2006-07-02
Release date:2007-07-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the biotin carboxylase domain of human acetyl-CoA carboxylase 2.
Proteins, 70, 2008
3JRW
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BU of 3jrw by Molmil
Phosphorylated BC domain of ACC2
Descriptor: Acetyl-CoA carboxylase 2
Authors:Cho, Y.S, Lee, J.I, Shin, D, Kim, H.T, Lee, T.G, Heo, Y.S.
Deposit date:2009-09-09
Release date:2010-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular mechanism for the regulation of human ACC2 through phosphorylation by AMPK
Biochem.Biophys.Res.Commun., 391, 2010
3JRX
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BU of 3jrx by Molmil
Crystal structure of the BC domain of ACC2 in complex with soraphen A
Descriptor: Acetyl-CoA carboxylase 2, SORAPHEN A
Authors:Cho, Y.S, Lee, J.I, Shin, D, Kim, H.T, Lee, T.G, Heo, Y.S.
Deposit date:2009-09-09
Release date:2010-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular mechanism for the regulation of human ACC2 through phosphorylation by AMPK.
Biochem.Biophys.Res.Commun., 391, 2010
4CQG
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BU of 4cqg by Molmil
The crystal structure of MPK38 in complex with OTSSP167, an orally- administrative MELK selective inhibitor
Descriptor: 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone, Maternal embryonic leucine zipper kinase, SULFATE ION
Authors:Cho, Y.S, Kang, Y.J, Cho, H.S.
Deposit date:2014-02-17
Release date:2014-07-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:The crystal structure of MPK38 in complex with OTSSP167, an orally administrative MELK selective inhibitor.
Biochem.Biophys.Res.Commun., 447, 2014
4AUA
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BU of 4aua by Molmil
Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6)
Descriptor: 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone, CYCLIN-DEPENDENT KINASE 6
Authors:Cho, Y.S, Angove, H, Brain, C, Chen, C.H.T, Cheng, R, Chopra, R, Chung, K, Congreve, M, Dagostin, C, Davis, D, Feltell, R, Giraldes, J, Hiscock, S, Kim, S, Kovats, S, Lagu, B, Lewry, K, Loo, A, Lu, Y, Luzzio, M, Maniara, W, Mcmenamin, R, Mortenson, P, Benning, R, O'Reilly, M, Rees, D, Shen, J, Smith, T, Wang, Y, Williams, G, Woolford, A, Wrona, W, Xu, M, Yang, F, Howard, S.
Deposit date:2012-05-15
Release date:2013-02-06
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors.
ACS Med Chem Lett, 3, 2012
4BFM
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BU of 4bfm by Molmil
The crystal structure of mouse PK38
Descriptor: MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION
Authors:Yoo, J.H, Cho, Y.S, Park, S.M, Cho, H.S.
Deposit date:2013-03-21
Release date:2014-02-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Structures of the Kinase Domain and Uba Domain of Mpk38 Suggest the Activation Mechanism for Kinase Activity.
Acta Crystallogr.,Sect.D, 70, 2014
2O5K
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BU of 2o5k by Molmil
Crystal Structure of GSK3beta in complex with a benzoimidazol inhibitor
Descriptor: 2-(2,4-DICHLORO-PHENYL)-7-HYDROXY-1H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID [2-(4-METHANESULFONYLAMINO-PHENYL)-ETHYL]-AMIDE, Glycogen synthase kinase-3 beta
Authors:Shin, D, Lee, S.C, Heo, Y.S, Cho, Y.S, Kim, Y.E, Hyun, Y.L, Cho, J.M, Lee, Y.S, Ro, S.
Deposit date:2006-12-06
Release date:2007-10-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design and synthesis of 7-hydroxy-1H-benzoimidazole derivatives as novel inhibitors of glycogen synthase kinase-3beta
Bioorg.Med.Chem.Lett., 17, 2007
3PG4
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BU of 3pg4 by Molmil
The crystal structure of New Delhi Metallo-beta lactamase (NDM-1)
Descriptor: Metallo-beta-lactamase
Authors:Kim, H.T, Cho, Y.S, Chang, H.J.
Deposit date:2010-10-29
Release date:2011-11-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of New Delhi Metallo-beta lactamase (NDM-1)
To be Published
5Y86
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BU of 5y86 by Molmil
Crystal structure of kinase
Descriptor: 1,2-ETHANEDIOL, 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE, Dual specificity tyrosine-phosphorylation-regulated kinase 3, ...
Authors:Kim, K.L, Cha, J.S, Cho, Y.S, Kim, H.Y, Chang, N.P, Cho, H.S.
Deposit date:2017-08-18
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Human Dual-Specificity Tyrosine-Regulated Kinase 3 Reveals New Structural Features and Insights into its Auto-phosphorylation
J. Mol. Biol., 430, 2018
4EZ5
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BU of 4ez5 by Molmil
CDK6 (monomeric) in complex with inhibitor
Descriptor: Cyclin-dependent kinase 6, {5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone
Authors:Chopra, R, Xu, M.
Deposit date:2012-05-02
Release date:2013-02-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors.
ACS Med Chem Lett, 3, 2012
3NUP
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BU of 3nup by Molmil
CDK6 (monomeric) in complex with inhibitor
Descriptor: 4-[3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine, Cell division protein kinase 6
Authors:Chopra, R.
Deposit date:2010-07-07
Release date:2010-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6.
J.Med.Chem., 53, 2010
3NUX
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BU of 3nux by Molmil
CDK6 (monomeric) in complex with inhibitor
Descriptor: 4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine, Cell division protein kinase 6
Authors:Chopra, R.
Deposit date:2010-07-07
Release date:2010-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6.
J.Med.Chem., 53, 2010
6B0Z
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BU of 6b0z by Molmil
IDH1 R132H mutant in complex with IDH305
Descriptor: (4R)-4-[(1S)-1-fluoroethyl]-3-[2-({(1S)-1-[4-methyl-2'-(trifluoromethyl)[3,4'-bipyridin]-6-yl]ethyl}amino)pyrimidin-4-yl]-1,3-oxazolidin-2-one, CITRATE ANION, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
Authors:Xie, X, Kulathila, R.
Deposit date:2017-09-15
Release date:2017-11-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.334 Å)
Cite:Discovery and Evaluation of Clinical Candidate IDH305, a Brain Penetrant Mutant IDH1 Inhibitor.
ACS Med Chem Lett, 8, 2017
4HQ6
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BU of 4hq6 by Molmil
BC domain in the presence of citrate
Descriptor: Acetyl-CoA carboxylase 2
Authors:Heo, Y.S.
Deposit date:2012-10-25
Release date:2013-10-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Insights into the Regulation of ACC2 by Citrate
Bull.Korean Chem.Soc., 34, 2013
5FA5
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BU of 5fa5 by Molmil
Crystal Structure of PRMT5:MEP50 in complex with MTA and H4 peptide
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Histone H4, Methylosome protein 50, ...
Authors:Sprague, E.R, McNamara, J.T.
Deposit date:2015-12-10
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Disordered methionine metabolism in MTAP/CDKN2A-deleted cancers leads to dependence on PRMT5.
Science, 351, 2016
5TQH
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BU of 5tqh by Molmil
IDH1 R132H mutant in complex with IDH889
Descriptor: (4S)-3-[2-({(1S)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl}amino)pyrimidin-4-yl]-4-(propan-2-yl)-1,3-oxazolidin-2-one, CITRATE ANION, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
Authors:Xie, X, Kulathila, R.
Deposit date:2016-10-24
Release date:2017-01-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Optimization of 3-Pyrimidin-4-yl-oxazolidin-2-ones as Allosteric and Mutant Specific Inhibitors of IDH1.
ACS Med Chem Lett, 8, 2017

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