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6GJO
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BU of 6gjo by Molmil
Crystal Structure of Glycogen Synthase Kinase-3 beta in Complex with BI-91BS
分子名称: (3~{Z})-5-ethanoyl-3-[[(1-methylpiperidin-4-yl)amino]-phenyl-methylidene]-1~{H}-indol-2-one, Glycogen synthase kinase-3 beta
著者Hoerer, S.
登録日2018-05-16
公開日2019-03-27
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献CRYSTAL STRUCTURE OF Glycogen synthase kinase-3 beta IN COMPLEX WITH BI-91BS
To Be Published
6GJK
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BU of 6gjk by Molmil
A degradation product of PD 404182 (P2742) bound to Histone Deacetylase-like Amidohydrolase
分子名称: 2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol, ACETATE ION, D-MALATE, ...
著者Kraemer, A, Meyer-Almes, F.J.
登録日2018-05-16
公開日2019-01-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Covalent inhibition of histone deacetylase 8 by 3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine.
Biochim Biophys Acta Gen Subj, 1863, 2019
1KBH
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BU of 1kbh by Molmil
Mutual Synergistic Folding in the Interaction Between Nuclear Receptor Coactivators CBP and ACTR
分子名称: CREB-BINDING PROTEIN, nuclear receptor coactivator
著者Demarest, S.J, Martinez-Yamout, M, Chung, J, Chen, H, Xu, W, Dyson, H.J, Evans, R.M, Wright, P.E.
登録日2001-11-06
公開日2002-02-06
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Mutual synergistic folding in recruitment of CBP/p300 by p160 nuclear receptor coactivators.
Nature, 415, 2002
3WH0
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BU of 3wh0 by Molmil
Structure of Pin1 Complex with 18-crown-6
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
著者Lee, C.C, Liu, C.I, Jeng, W.Y, Wang, A.H.J.
登録日2013-08-20
公開日2014-10-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crowning proteins: modulating the protein surface properties using crown ethers.
Angew.Chem.Int.Ed.Engl., 53, 2014
3WTZ
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BU of 3wtz by Molmil
Crystal structure of ETS-1 DNA binding and autoinhibitory domains (276-441)
分子名称: Protein C-ets-1
著者Shiina, M, Hamada, K, Ogata, K.
登録日2014-04-21
公開日2014-08-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献A novel allosteric mechanism on protein-DNA interactions underlying the phosphorylation-dependent regulation of Ets1 target gene expressions.
J.Mol.Biol., 427, 2015
3LFQ
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BU of 3lfq by Molmil
Crystal structure of CDK2 with SAR60, an aminoindazole type inhibitor
分子名称: Cell division protein kinase 2, N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide
著者Dreyer, M.K, Wendt, K.U, Schimanski-Breves, S, Loenze, P.
登録日2010-01-18
公開日2010-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2.
Bioorg.Med.Chem.Lett., 20, 2010
3WU0
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BU of 3wu0 by Molmil
Crystal structure of phosphorylated ETS-1 DNA binding and autoinhibitory domains (276-441)
分子名称: Protein C-ets-1
著者Shiina, M, Hamada, K, Ogata, K.
登録日2014-04-21
公開日2014-08-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A novel allosteric mechanism on protein-DNA interactions underlying the phosphorylation-dependent regulation of Ets1 target gene expressions.
J.Mol.Biol., 427, 2015
1LFU
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BU of 1lfu by Molmil
NMR Solution Structure of the Extended PBX Homeodomain Bound to DNA
分子名称: 5'-D(*GP*CP*GP*CP*AP*TP*GP*AP*TP*TP*GP*CP*CP*C)-3', 5'-D(*GP*GP*GP*CP*AP*AP*TP*CP*AP*TP*GP*CP*GP*C)-3', homeobox protein PBX1
著者Sprules, T, Green, N, Featherstone, M, Gehring, K.
登録日2002-04-12
公開日2003-01-14
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Lock and Key Binding of the HOX YPWM Peptide to the PBX Homeodomain
J.Biol.Chem., 278, 2003
3LFN
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BU of 3lfn by Molmil
Crystal structure of CDK2 with SAR57, an aminoindazole type inhibitor
分子名称: Cell division protein kinase 2, N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide
著者Dreyer, M.K, Wendt, K.U, Schimanski-Breves, S, Loenze, P.
登録日2010-01-18
公開日2010-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2.
Bioorg.Med.Chem.Lett., 20, 2010
3CMY
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BU of 3cmy by Molmil
Structure of a homeodomain in complex with DNA
分子名称: 1,2-ETHANEDIOL, 5'-D(*DAP*DCP*DAP*DTP*DAP*DAP*DP*DCP*DGP*DAP*DTP*DTP*DAP*DC)-3', 5'-D(*DTP*DGP*DTP*DAP*DAP*DTP*DCP*DGP*DAP*DTP*DTP*DAP*DTP*DG)-3', ...
著者Birrane, G, Ladias, J.A.A, Soni, A.
登録日2008-03-24
公開日2009-02-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Basis for DNA Recognition by the Human PAX3 Homeodomain.
Biochemistry, 48, 2009
3LE6
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BU of 3le6 by Molmil
The structure of cyclin dependent kinase 2 (CKD2) with a pyrazolobenzodiazepine inhibitor
分子名称: 5-(2-chlorophenyl)-3-methyl-7-nitropyrazolo[3,4-b][1,4]benzodiazepine, Cell division protein kinase 2
著者Lukacs, C.M, Swain, A, Crowther, R.L, Kammlott, R.U, Liu, J.J.
登録日2010-01-14
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pyrazolobenzodiazepines: part I. Synthesis and SAR of a potent class of kinase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
4AGH
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BU of 4agh by Molmil
Structural features of ssDNA binding protein MoSub1 from Magnaporthe oryzae
分子名称: MOSUB1, TRANSCRIPTION COFACTOR
著者Huang, J, Zhao, Y, Huang, D, liu, J, Peng, Y.
登録日2012-01-27
公開日2012-08-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.787 Å)
主引用文献Structural Features of the Single-Stranded DNA-Binding Protein Mosub1 from Magnaporthe Oryzae.
Acta Crystallogr.,Sect.D, 68, 2012
4AVP
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BU of 4avp by Molmil
Crystal structure of the DNA-binding domain of human ETV1.
分子名称: 1,2-ETHANEDIOL, ETS TRANSLOCATION VARIANT 1
著者Allerston, C.K, Cooper, C.D.O, Krojer, T, Chaikuad, A, Filippakopoulos, P, Canning, P, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Gileadi, O.
登録日2012-05-28
公開日2012-06-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structures of the Ets Domains of Transcription Factors Etv1, Etv4, Etv5 and Fev: Determinants of DNA Binding and Redox Regulation by Disulfide Bond Formation.
J.Biol.Chem., 290, 2015
3LW1
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BU of 3lw1 by Molmil
Binary complex of 14-3-3 sigma and p53 pT387-peptide
分子名称: 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ...
著者Schumacher, B, Mondry, J, Thiel, P, Weyand, M, Ottmann, C.
登録日2010-02-23
公開日2010-03-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Structure of the p53 C-terminus bound to 14-3-3: Implications for stabilization of the p53 tetramer
Febs Lett., 584, 2010
2ZQT
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BU of 2zqt by Molmil
Crystal structure of a mutant PIN1 PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION
著者Jobichen, C, Liou, Y.C, Sivaraman, J.
登録日2008-08-19
公開日2009-08-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.462 Å)
主引用文献Structural studies on PIN1 mutants
To be Published
1NDD
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BU of 1ndd by Molmil
STRUCTURE OF NEDD8
分子名称: CHLORIDE ION, PROTEIN (UBIQUITIN-LIKE PROTEIN NEDD8), SULFATE ION
著者Whitby, F.G, Xia, G, Pickart, C.M, Hill, C.P.
登録日1998-08-21
公開日1999-02-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of the human ubiquitin-like protein NEDD8 and interactions with ubiquitin pathway enzymes.
J.Biol.Chem., 273, 1998
3V5R
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BU of 3v5r by Molmil
Crystal structure of the unliganded form of Gal3p
分子名称: Protein GAL3, SULFATE ION
著者Lavy, T, Kumar, P.R, He, H, Joshua-Tor, L.
登録日2011-12-16
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献The Gal3p transducer of the GAL regulon interacts with the Gal80p repressor in its ligand-induced closed conformation.
Genes Dev., 26, 2012
4AY9
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BU of 4ay9 by Molmil
Structure of follicle-stimulating hormone in complex with the entire ectodomain of its receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FOLLICLE-STIMULATING HORMONE RECEPTOR, FOLLITROPIN SUBUNIT BETA, ...
著者Jiang, X, Liu, H, Chen, X, He, X.
登録日2012-06-19
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of Follicle-Stimulating Hormone in Complex with the Entire Ectodomain of its Receptor.
Proc.Natl.Acad.Sci.USA, 109, 2012
3VD6
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BU of 3vd6 by Molmil
Both Zn Fingers of GATA1 Bound to Palindromic DNA Recognition Site, P21 Crystal Form
分子名称: ACETATE ION, DNA (5'-D(*AP*AP*GP*AP*GP*TP*CP*CP*AP*TP*CP*TP*GP*AP*TP*AP*AP*GP*AP*C)-3'), DNA (5'-D(*TP*TP*GP*TP*CP*TP*TP*AP*TP*CP*AP*GP*AP*TP*GP*GP*AP*CP*TP*C)-3'), ...
著者Jacques, D.A, Ripin, N, Wilkinson-White, L.E, Guss, J.M, Matthews, J.M.
登録日2012-01-04
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献GATA1 directly mediates interactions with closely spaced pseudopalindromic but not distantly spaced double GATA sites on DNA.
Protein Sci., 24, 2015
3COQ
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BU of 3coq by Molmil
Structural Basis for Dimerization in DNA Recognition by Gal4
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*DAP*DCP*DCP*DGP*DGP*DAP*DGP*DGP*DAP*DCP*DAP*DGP*DTP*DCP*DCP*DTP*DCP*DCP*DGP*DG)-3'), DNA (5'-D(*DTP*DCP*DCP*DGP*DGP*DAP*DGP*DGP*DAP*DCP*DTP*DGP*DTP*DCP*DCP*DTP*DCP*DCP*DGP*DG)-3'), ...
著者Hong, M, Fitzgerald, M.X, Harper, S, Luo, C, Speicher, D.W.
登録日2008-03-29
公開日2008-07-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for dimerization in DNA recognition by gal4.
Structure, 16, 2008
4BCF
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BU of 4bcf by Molmil
Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor
分子名称: 2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1
著者Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
登録日2012-10-02
公開日2013-01-09
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (3.011 Å)
主引用文献Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013
4BCG
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BU of 4bcg by Molmil
Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor
分子名称: 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1, ...
著者Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
登録日2012-10-02
公開日2013-04-17
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (3.085 Å)
主引用文献Substituted 4-(Thiazol-5-Yl)-2-(Phenylamino)Pyrimidines are Highly Active Cdk9 Inhibitors: Synthesis, X-Ray Crystal Structure, Sar and Anti-Cancer Activities.
J.Med.Chem., 56, 2013
4BCM
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BU of 4bcm by Molmil
Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor
分子名称: 4-(4-methyl-2-methylimino-3H-1,3-thiazol-5-yl)-2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ...
著者Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
登録日2012-10-02
公開日2013-03-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013
4BCN
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BU of 4bcn by Molmil
Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor
分子名称: 2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ...
著者Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
登録日2012-10-02
公開日2013-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013
4BCI
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BU of 4bci by Molmil
Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor
分子名称: 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1
著者Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
登録日2012-10-02
公開日2013-01-09
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013

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