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3O7L
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BU of 3o7l by Molmil
Crystal Structure of phospholamban (1-19):PKA C-subunit:AMP-PNP:Mg2+ complex
Descriptor: Cardiac phospholamban, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Cheng, C.Y, Taylor, S.S.
Deposit date:2010-07-30
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Dynamics connect substrate recognition to catalysis in protein kinase A.
Nat.Chem.Biol., 6, 2010
1PVH
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BU of 1pvh by Molmil
Crystal structure of leukemia inhibitory factor in complex with gp130
Descriptor: IODIDE ION, Interleukin-6 receptor beta chain, Leukemia inhibitory factor
Authors:Boulanger, M.J, Bankovich, A.J, Kortemme, T, Baker, D, Garcia, K.C.
Deposit date:2003-06-27
Release date:2003-10-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Convergent mechanisms for recognition of divergent cytokines by the shared signaling receptor gp130.
Mol.Cell, 12, 2003
2MEZ
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BU of 2mez by Molmil
Flexible anchoring of archaeal MBF1 on ribosomes suggests role as recruitment factor
Descriptor: Multiprotein Bridging Factor (MBP-like)
Authors:Launay, H, Blombarch, F, Camilloni, C, Vendruscolo, M, van des Oost, J, Christodoulou, J.
Deposit date:2013-10-03
Release date:2014-06-25
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Archaeal MBF1 binds to 30S and 70S ribosomes via its helix-turn-helix domain.
Biochem.J., 462, 2014
2PK2
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BU of 2pk2 by Molmil
Cyclin box structure of the P-TEFb subunit Cyclin T1 derived from a fusion complex with EIAV Tat
Descriptor: Cyclin-T1, Protein Tat
Authors:Anand, K, Schulte, A, Fujinaga, K, Scheffzek, K, Geyer, M.
Deposit date:2007-04-17
Release date:2007-07-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Cyclin Box Structure of the P-TEFb Subunit Cyclin T1 Derived from a Fusion Complex with EIAV Tat.
J.Mol.Biol., 370, 2007
1CJT
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BU of 1cjt by Molmil
COMPLEX OF GS-ALPHA WITH THE CATALYTIC DOMAINS OF MAMMALIAN ADENYLYL CYCLASE: COMPLEX WITH BETA-L-2',3'-DIDEOXYATP, MN, AND MG
Descriptor: 2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ...
Authors:Tesmer, J.J.G, Sprang, S.R.
Deposit date:1999-04-16
Release date:1999-08-31
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Two-metal-Ion catalysis in adenylyl cyclase.
Science, 285, 1999
3SFH
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BU of 3sfh by Molmil
Crystal Structure of Human HDAC8 Inhibitor Complex, an Amino Acid Derived Inhibitor
Descriptor: (2R)-2-amino-3-(2,4-dichlorophenyl)-1-(1,3-dihydro-2H-isoindol-2-yl)propan-1-one, ACETATE ION, Histone deacetylase 8, ...
Authors:Stams, T, Vash, B.
Deposit date:2011-06-13
Release date:2011-07-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human HDAC isoform selectivity achieved via exploitation of the acetate release channel with structurally unique small molecule inhibitors.
Bioorg.Med.Chem., 19, 2011
3SFF
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BU of 3sff by Molmil
Crystal Structure of Human HDAC8 Inhibitor Complex, an Amino Acid Derived Inhibitor
Descriptor: (2R)-2-amino-3-(3-chlorophenyl)-1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]propan-1-one, Histone deacetylase 8, POTASSIUM ION, ...
Authors:Stams, T, Vash, B.
Deposit date:2011-06-13
Release date:2011-07-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human HDAC isoform selectivity achieved via exploitation of the acetate release channel with structurally unique small molecule inhibitors.
Bioorg.Med.Chem., 19, 2011
8REV
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BU of 8rev by Molmil
Structure of XPD stalled at a Y-fork DNA containing a interstrand crosslink
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase CHL1, DNA (46-MER), ...
Authors:Kuper, J, Hove, T, Kisker, C.
Deposit date:2023-12-12
Release date:2024-05-29
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:XPD stalled on cross-linked DNA provides insight into damage verification.
Nat.Struct.Mol.Biol., 2024
7AW9
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BU of 7aw9 by Molmil
CCAAT-binding complex and HapX bound to Aspergillus fumigatus cccA DNA
Descriptor: BZIP domain-containing protein, CBFD_NFYB_HMF domain-containing protein, CHLORIDE ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2020-11-06
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural insights into cooperative DNA recognition by the CCAAT-binding complex and its bZIP transcription factor HapX.
Structure, 30, 2022
7AW7
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BU of 7aw7 by Molmil
CCAAT-binding complex and HapX bound to Aspergillus nidulans cccA DNA
Descriptor: BZIP domain-containing protein, CBFD_NFYB_HMF domain-containing protein, CHLORIDE ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2020-11-06
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural insights into cooperative DNA recognition by the CCAAT-binding complex and its bZIP transcription factor HapX.
Structure, 30, 2022
1JY0
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BU of 1jy0 by Molmil
Human acidic fibroblast growth factor. 141 amino acid form with amino terminal His tag and Cys 117 replaced with Val (C117V).
Descriptor: FORMIC ACID, acidic fibroblast growth factor
Authors:Brych, S.R, Blaber, M.
Deposit date:2001-09-10
Release date:2003-08-12
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Accommodation of a highly symmetric core within a symmetric protein superfold.
Protein Sci., 12, 2003
8BFC
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BU of 8bfc by Molmil
Binary structure of 14-3-3s and RND3 phosphopeptide
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2022-10-24
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
1CJK
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BU of 1cjk by Molmil
COMPLEX OF GS-ALPHA WITH THE CATALYTIC DOMAINS OF MAMMALIAN ADENYLYL CYCLASE: COMPLEX WITH ADENOSINE 5'-(ALPHA THIO)-TRIPHOSPHATE (RP), MG, AND MN
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ADENOSINE-5'-RP-ALPHA-THIO-TRIPHOSPHATE, ...
Authors:Tesmer, J.J.G, Sprang, S.R.
Deposit date:1999-04-16
Release date:1999-08-31
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Two-metal-Ion catalysis in adenylyl cyclase.
Science, 285, 1999
8BWH
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BU of 8bwh by Molmil
Small molecule stabilizer for 14-3-3/ChREBP (Cmd 42)
Descriptor: 14-3-3 protein sigma, Carbohydrate-responsive element-binding protein, MAGNESIUM ION, ...
Authors:Pennings, M.A.M, Visser, E.J, Ottmann, C.
Deposit date:2022-12-06
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular glues of the regulatory ChREBP/14-3-3 complex protect beta cells from glucolipotoxicity.
Biorxiv, 2024
8BWE
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BU of 8bwe by Molmil
Small molecule stabilizer for 14-3-3/ChREBP (Cmd 43)
Descriptor: 14-3-3 protein sigma, Carbohydrate-responsive element-binding protein, MAGNESIUM ION, ...
Authors:Visser, E.J, Pennings, M.A.M, Ottmann, C.
Deposit date:2022-12-06
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular glues of the regulatory ChREBP/14-3-3 complex protect beta cells from glucolipotoxicity.
Biorxiv, 2024
8BTQ
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BU of 8btq by Molmil
Small molecule stabilizer for 14-3-3/ChREBP (Cmd1-soaking)
Descriptor: 14-3-3 protein sigma, Carbohydrate-responsive element-binding protein, MAGNESIUM ION, ...
Authors:Pennings, M.A.M, Visser, E.J, Ottmann, C.
Deposit date:2022-11-29
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular glues of the regulatory ChREBP/14-3-3 complex protect beta cells from glucolipotoxicity.
Biorxiv, 2024
4EOK
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BU of 4eok by Molmil
Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with the inhibitor NU6102
Descriptor: Cyclin-A2, Cyclin-dependent kinase 2, MONOTHIOGLYCEROL, ...
Authors:Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D.
Deposit date:2012-04-14
Release date:2013-02-06
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
4EOS
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BU of 4eos by Molmil
Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with the inhibitor RO3306
Descriptor: (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2
Authors:Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D.
Deposit date:2012-04-14
Release date:2013-02-06
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
3LNQ
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BU of 3lnq by Molmil
Structure of Aristaless homeodomain in complex with DNA
Descriptor: 5'-D(*CP*CP*CP*TP*AP*AP*TP*TP*AP*AP*AP*CP*CP*C)-3', 5'-D(*GP*GP*GP*TP*TP*TP*AP*AP*TP*TP*AP*GP*GP*G)-3', ACETATE ION, ...
Authors:Takamura, Y, Miyazono, K, Nagata, K, Saigo, K, Kojima, T, Tanokura, M.
Deposit date:2010-02-02
Release date:2010-04-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Cooperative DNA-binding and sequence-recognition mechanism of aristaless and clawless
Embo J., 29, 2010
1K2H
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BU of 1k2h by Molmil
Three-dimensional Solution Structure of apo-S100A1.
Descriptor: S-100 protein, alpha chain
Authors:Rustandi, R.R, Baldisseri, D.M, Inman, K.G, Nizner, P, Hamilton, S.M, Landar, A, Landar, A, Zimmer, D.B, Weber, D.J.
Deposit date:2001-09-27
Release date:2002-02-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Three-dimensional solution structure of the calcium-signaling protein apo-S100A1 as determined by NMR.
Biochemistry, 41, 2002
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
4EOO
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BU of 4eoo by Molmil
Thr 160 phosphorylated CDK2 Q131E - human cyclin A3 complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ...
Authors:Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D.
Deposit date:2012-04-14
Release date:2013-02-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
4EOJ
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BU of 4eoj by Molmil
Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ...
Authors:Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D.
Deposit date:2012-04-14
Release date:2013-02-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
7NM3
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BU of 7nm3 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-135
Descriptor: 14-3-3 protein sigma, 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde, CALCIUM ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-02-23
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7NM1
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BU of 7nm1 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-126
Descriptor: 14-3-3 protein sigma, 4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde, CALCIUM ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-02-23
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021

223532

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