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9BDV
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BU of 9bdv by Molmil
NF-kappaB RelA homo-dimer bound to TA-centric kappaB DNA
Descriptor: DNA (5'-D(*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*AP*GP*T)-3'), DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*TP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), SULFATE ION, ...
Authors:Biswas, T, Shahabi, S, Tsodikov, O.V.
Deposit date:2024-04-12
Release date:2024-04-24
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
9BDW
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BU of 9bdw by Molmil
NF-kappaB RelA homo-dimer bound to GC-centric kappaB DNA
Descriptor: DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*GP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), DNA (5'-D(P*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*CP*TP*TP*CP*CP*CP*AP*GP*T)-3'), SULFATE ION, ...
Authors:Biswas, T, Shahabi, S, Tsodikov, O.V, Huang, D, Ghosh, G.
Deposit date:2024-04-12
Release date:2024-04-24
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
1R0N
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BU of 1r0n by Molmil
Crystal Structure of Heterodimeric Ecdsyone receptor DNA binding complex
Descriptor: Ecdsyone Response Element, Ecdysone Response Element, Ecdysone receptor, ...
Authors:Devarakonda, S, Harp, J.M, Kim, Y, Ozyhar, A, Rastinejad, F.
Deposit date:2003-09-22
Release date:2003-10-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the heterodimeric Ecdysone Receptor DNA-binding complex
Embo J., 22, 2003
1RXR
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BU of 1rxr by Molmil
HIGH RESOLUTION SOLUTION STRUCTURE OF THE RETINOID X RECEPTOR DNA BINDING DOMAIN, NMR, 20 STRUCTURE
Descriptor: RETINOIC ACID RECEPTOR-ALPHA, ZINC ION
Authors:Holmbeck, S.M.A, Foster, M.P, Casimiro, D.R, Sem, D.S, Dyson, H.J, Wright, P.E.
Deposit date:1998-06-12
Release date:1998-11-11
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:High-resolution solution structure of the retinoid X receptor DNA-binding domain.
J.Mol.Biol., 281, 1998
1RAM
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BU of 1ram by Molmil
A NOVEL DNA RECOGNITION MODE BY NF-KB P65 HOMODIMER
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA (5'-D(*CP*GP*GP*CP*TP*GP*GP*AP*AP*AP*TP*TP*TP*CP*CP*AP*GP*CP*CP*G)-3'), PROTEIN (TRANSCRIPTION FACTOR NF-KB P65)
Authors:Chen, Y.-Q, Ghosh, S, Ghosh, G.
Deposit date:1997-11-22
Release date:1998-05-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A novel DNA recognition mode by the NF-kappa B p65 homodimer.
Nat.Struct.Biol., 5, 1998
1TAC
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BU of 1tac by Molmil
HIV-1 TAT CYS-, NMR, 10 STRUCTURES
Descriptor: TAT PROTEIN
Authors:Roesch, P, Boehm, M, Sticht, H.
Deposit date:1998-03-13
Release date:1999-03-23
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure of HIV-1 Tat Protein
To be Published
1HD7
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BU of 1hd7 by Molmil
A Second Divalent Metal Ion in the Active Site of a New Crystal Form of Human Apurinic/Apyridinimic Endonuclease, Ape1, and its Implications for the Catalytic Mechanism
Descriptor: DNA-(APURINIC OR APYRIMIDINIC SITE) LYASE, LEAD (II) ION
Authors:Beernink, P.T, Segelke, B.W, Rupp, B.
Deposit date:2000-11-09
Release date:2001-02-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Two Divalent Metal Ions in the Active Site of a New Crystal Form of Human Apurinic/Apyrimidinic Endonuclease, Ape1: Implications for the Catalytic Mechanism
J.Mol.Biol., 307, 2001
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
Descriptor: 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, ...
Authors:Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
Deposit date:2012-10-02
Release date:2013-04-17
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (3.085 Å)
Cite: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
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
Descriptor: 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1
Authors:Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
Deposit date:2012-10-02
Release date:2013-01-09
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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
4BCH
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BU of 4bch by Molmil
Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor
Descriptor: 4-(4-methyl-2-methylimino-3H-1,3-thiazol-5-yl)-2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1, ...
Authors:Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
Deposit date:2012-10-02
Release date:2013-01-09
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.958 Å)
Cite: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
4BCJ
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BU of 4bcj by Molmil
Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor
Descriptor: 2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1
Authors:Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
Deposit date:2012-10-02
Release date:2013-01-09
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (3.162 Å)
Cite: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
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
Descriptor: 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
Authors:Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
Deposit date:2012-10-02
Release date:2013-01-09
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (3.011 Å)
Cite: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
2L6Y
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BU of 2l6y by Molmil
haddock model of GATA1NF:Lmo2LIM2-Ldb1LID
Descriptor: Erythroid transcription factor, LIM domain only 2, linker, ...
Authors:Wilkinson-White, L, Gamsjaeger, R, Dastmalchi, S, Wienert, B, Stokes, P.H, Crossley, M, Mackay, J.P, Matthews, J.M.
Deposit date:2010-12-01
Release date:2011-08-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural basis of simultaneous recruitment of the transcriptional regulators LMO2 and FOG1/ZFPM1 by the transcription factor GATA1
Proc.Natl.Acad.Sci.USA, 108, 2011
2NLL
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BU of 2nll by Molmil
RETINOID X RECEPTOR-THYROID HORMONE RECEPTOR DNA-BINDING DOMAIN HETERODIMER BOUND TO THYROID RESPONSE ELEMENT DNA
Descriptor: DNA (5'-D(*CP*AP*GP*GP*TP*CP*AP*TP*TP*(5IU)P*CP*AP*GP*GP*TP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*AP*CP*CP*TP*GP*AP*AP*AP*TP*GP*AP*CP*CP*T P*G)-3'), PROTEIN (RETINOIC ACID RECEPTOR), ...
Authors:Rastinejad, F, Perlmann, T, Evans, R.M, Sigler, P.B.
Deposit date:1996-11-20
Release date:1997-03-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural determinants of nuclear receptor assembly on DNA direct repeats.
Nature, 375, 1995
1GAT
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BU of 1gat by Molmil
SOLUTION STRUCTURE OF THE SPECIFIC DNA COMPLEX OF THE ZINC CONTAINING DNA BINDING DOMAIN OF THE ERYTHROID TRANSCRIPTION FACTOR GATA-1 BY MULTIDIMENSIONAL NMR
Descriptor: DNA (5'-D(P*AP*GP*AP*TP*AP*AP*AP*C)3'), DNA (5'-D(P*GP*TP*TP*TP*AP*TP*CP*T)-3'), ERYTHROID TRANSCRIPTION FACTOR GATA-1, ...
Authors:Clore, G.M, Omichinski, J.G, Gronenborn, A.M.
Deposit date:1993-06-28
Release date:1993-10-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR structure of a specific DNA complex of Zn-containing DNA binding domain of GATA-1.
Science, 261, 1993
1GAU
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BU of 1gau by Molmil
SOLUTION STRUCTURE OF THE SPECIFIC DNA COMPLEX OF THE ZINC CONTAINING DNA BINDING DOMAIN OF THE ERYTHROID TRANSCRIPTION FACTOR GATA-1 BY MULTIDIMENSIONAL NMR
Descriptor: DNA (5'-D(P*AP*GP*AP*TP*AP*AP*AP*C)-3'), DNA (5'-D(P*GP*TP*TP*TP*AP*TP*CP*T)-3'), ERYTHROID TRANSCRIPTION FACTOR GATA-1
Authors:Clore, G.M, Omichinski, J.G, Gronenborn, A.M.
Deposit date:1993-06-28
Release date:1993-10-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR structure of a specific DNA complex of Zn-containing DNA binding domain of GATA-1.
Science, 261, 1993
2KA6
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BU of 2ka6 by Molmil
NMR structure of the CBP-TAZ2/STAT1-TAD complex
Descriptor: CREB-binding protein, Signal transducer and activator of transcription 1-alpha/beta, ZINC ION
Authors:Wojciak, J.M, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E.
Deposit date:2008-10-30
Release date:2009-04-07
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Structural basis for recruitment of CBP/p300 coactivators by STAT1 and STAT2 transactivation domains.
Embo J., 28, 2009
1GNF
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BU of 1gnf by Molmil
SOLUTION STRUCTURE OF THE N-TERMINAL ZINC FINGER OF MURINE GATA-1, NMR, 25 STRUCTURES
Descriptor: TRANSCRIPTION FACTOR GATA-1, ZINC ION
Authors:Kowalski, K, Czolij, R, King, G.F, Crossley, M, Mackay, J.P.
Deposit date:1998-10-12
Release date:1999-06-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The solution structure of the N-terminal zinc finger of GATA-1 reveals a specific binding face for the transcriptional co-factor FOG.
J.Biomol.NMR, 13, 1999
4OR5
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BU of 4or5 by Molmil
Crystal structure of HIV-1 Tat complexed with human P-TEFb and AFF4
Descriptor: AF4/FMR2 family member 4, Cyclin-T1, Cyclin-dependent kinase 9, ...
Authors:Gu, J, Babayeva, N.D, Suwa, Y, Baranovskiy, A.G, Price, D.H, Tahirov, T.H.
Deposit date:2014-02-10
Release date:2014-04-16
Last modified:2014-06-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of HIV-1 Tat complexed with human P-TEFb and AFF4.
Cell Cycle, 13, 2014
4OGR
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BU of 4ogr by Molmil
crystal structure of P-TEFb complex with AFF4 and Tat
Descriptor: ADENOSINE, AF4/FMR2 family member 4, Cyclin-T1, ...
Authors:Schulze-Gahmen, U, Alber, T.
Deposit date:2014-01-16
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:AFF4 binding to Tat-P-TEFb indirectly stimulates TAR recognition of super elongation complexes at the HIV promoter.
Elife, 3, 2014
3LQ5
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BU of 3lq5 by Molmil
Structure of CDK9/CyclinT in complex with S-CR8
Descriptor: (2S)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol, Cell division protein kinase 9, Cyclin-T1
Authors:Hole, A.J, Endicott, J.A, Baumli, S.
Deposit date:2010-02-08
Release date:2011-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:CDK Inhibitors Roscovitine and CR8 Trigger Mcl-1 Down-Regulation and Apoptotic Cell Death in Neuroblastoma Cells
Genes Cancer, 1, 2010
6BOQ
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BU of 6boq by Molmil
Human APE1 substrate complex with an A/A mismatch adjacent the THF
Descriptor: 1,2-ETHANEDIOL, 21-mer DNA, DNA-(apurinic or apyrimidinic site) lyase
Authors:Freudenthal, B.D, Whitaker, A.M, Fairlamb, M.S.
Deposit date:2017-11-20
Release date:2018-08-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Apurinic/apyrimidinic (AP) endonuclease 1 processing of AP sites with 5' mismatches.
Acta Crystallogr D Struct Biol, 74, 2018
6BOV
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BU of 6bov by Molmil
Human APE1 substrate complex with an A/G mismatch adjacent the THF
Descriptor: 21-mer DNA, DI(HYDROXYETHYL)ETHER, DNA-(apurinic or apyrimidinic site) lyase
Authors:Freudenthal, B.D, Whitaker, A.M, Fairlamb, M.S.
Deposit date:2017-11-20
Release date:2018-08-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.975 Å)
Cite:Apurinic/apyrimidinic (AP) endonuclease 1 processing of AP sites with 5' mismatches.
Acta Crystallogr D Struct Biol, 74, 2018
6BOR
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BU of 6bor by Molmil
Human APE1 substrate complex with an G/G mismatch adjacent the THF
Descriptor: 1,2-ETHANEDIOL, 21-mer DNA, CHLORIDE ION, ...
Authors:Freudenthal, B.D, Whitaker, A.M, Fairlamb, M.S.
Deposit date:2017-11-20
Release date:2018-08-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Apurinic/apyrimidinic (AP) endonuclease 1 processing of AP sites with 5' mismatches.
Acta Crystallogr D Struct Biol, 74, 2018
6BOW
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BU of 6bow by Molmil
Human APE1 substrate complex with an T/T mismatch adjacent the THF
Descriptor: 21-mer DNA, DNA-(apurinic or apyrimidinic site) lyase
Authors:Freudenthal, B.D, Whitaker, A.M, Fairlamb, M.S.
Deposit date:2017-11-20
Release date:2018-08-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Apurinic/apyrimidinic (AP) endonuclease 1 processing of AP sites with 5' mismatches.
Acta Crystallogr D Struct Biol, 74, 2018

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