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3MUL
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BU of 3mul by Molmil
Crystal structure of Brd4 bromodomain 1 with butyrylated histone H3-K(buty)14
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Peptide of Histone H3.3
Authors:Vollmuth, F, Geyer, M.
Deposit date:2010-05-03
Release date:2010-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Interaction of propionylated and butyrylated histone H3 lysine marks with Brd4 bromodomains
Angew.Chem.Int.Ed.Engl., 49, 2010
3MUK
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BU of 3muk by Molmil
Crystal structure of Brd4 bromodomain 1 with propionylated histone H3-K(prop)23
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, peptide of Histone H3.3
Authors:Vollmuth, F, Geyer, M.
Deposit date:2010-05-03
Release date:2010-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Interaction of propionylated and butyrylated histone H3 lysine marks with Brd4 bromodomains
Angew.Chem.Int.Ed.Engl., 49, 2010
2W2H
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BU of 2w2h by Molmil
Structural basis of transcription activation by the Cyclin T1-Tat-TAR RNA complex from EIAV
Descriptor: 5'-R(*GP*CP*UP*CP*AP*GP*AP*UP*CP*UP *GP*CP*GP*GP*UP*CP*UP*GP*AP*GP*C)-3', CYCLIN-T1, MANGANESE (II) ION, ...
Authors:Anand, K, Geyer, M.
Deposit date:2008-10-30
Release date:2008-12-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structural Insights Into the Cyclin T1-Tat-Tar RNA Transcription Activation Complex from Eiav.
Nat.Struct.Mol.Biol., 15, 2008
1G6P
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BU of 1g6p by Molmil
SOLUTION NMR STRUCTURE OF THE COLD SHOCK PROTEIN FROM THE HYPERTHERMOPHILIC BACTERIUM THERMOTOGA MARITIMA
Descriptor: COLD SHOCK PROTEIN TMCSP
Authors:Kremer, W, Schuler, B, Harrieder, S, Geyer, M, Gronwald, W, Welker, C, Jaenicke, R, Kalbitzer, H.R.
Deposit date:2000-11-07
Release date:2001-11-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution NMR structure of the cold-shock protein from the hyperthermophilic bacterium Thermotoga maritima.
Eur.J.Biochem., 268, 2001
3RBB
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BU of 3rbb by Molmil
HIV-1 NEF protein in complex with engineered HCK SH3 domain
Descriptor: 1,2-ETHANEDIOL, Protein Nef, Tyrosine-protein kinase HCK
Authors:Horenkamp, F.A, Schulte, A, Weyand, M, Geyer, M.
Deposit date:2011-03-29
Release date:2011-04-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Conformation of the Dileucine-Based Sorting Motif in HIV-1 Nef Revealed by Intermolecular Domain Assembly.
Traffic, 12, 2011
7O7K
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BU of 7o7k by Molmil
Crystal structure of the human DYRK1A kinase domain bound to abemaciclib
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
Authors:Kaltheuner, I.H, Anand, K, Geyer, M.
Deposit date:2021-04-13
Release date:2021-11-24
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Abemaciclib is a potent inhibitor of DYRK1A and HIP kinases involved in transcriptional regulation.
Nat Commun, 12, 2021
7O7I
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BU of 7o7i by Molmil
Crystal structure of the human HIPK3 kinase domain
Descriptor: 1,2-ETHANEDIOL, Homeodomain-interacting protein kinase 3
Authors:Kaltheuner, I.H, Anand, K, Geyer, M.
Deposit date:2021-04-13
Release date:2021-11-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Abemaciclib is a potent inhibitor of DYRK1A and HIP kinases involved in transcriptional regulation.
Nat Commun, 12, 2021
7O7J
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BU of 7o7j by Molmil
Crystal structure of the human HIPK3 kinase domain bound to abemaciclib
Descriptor: Homeodomain-interacting protein kinase 3, N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine
Authors:Kaltheuner, I.H, Anand, K, Geyer, M.
Deposit date:2021-04-13
Release date:2021-11-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Abemaciclib is a potent inhibitor of DYRK1A and HIP kinases involved in transcriptional regulation.
Nat Commun, 12, 2021
7NXJ
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BU of 7nxj by Molmil
Crystal structure of human Cdk13/Cyclin K in complex with the inhibitor THZ531
Descriptor: Cyclin-K, Cyclin-dependent kinase 13, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide
Authors:Anand, K, Greifenberg, A.K, Kaltheuner, I.H, Geyer, M.
Deposit date:2021-03-18
Release date:2021-05-12
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
Eur.J.Med.Chem., 221, 2021
7NXK
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BU of 7nxk by Molmil
Crystal structure of human Cdk12/Cyclin K in complex with the inhibitor BSJ-01-175
Descriptor: (E)-N-[4-[(1R,3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide, Cyclin-K, Cyclin-dependent kinase 12
Authors:Anand, K, Dust, S, Kaltheuner, I.H, Geyer, M.
Deposit date:2021-03-18
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
Eur.J.Med.Chem., 221, 2021
3REB
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BU of 3reb by Molmil
HIV-1 Nef protein in complex with engineered Hck-SH3 domain
Descriptor: Protein Nef, Tyrosine-protein kinase HCK
Authors:Schulte, A, Blankenfeldt, W, Geyer, M.
Deposit date:2011-04-04
Release date:2011-06-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Molecular design, functional characterization and structural basis of a protein inhibitor against the HIV-1 pathogenicity factor Nef.
PLoS ONE, 6, 2011
3REA
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BU of 3rea by Molmil
HIV-1 Nef protein in complex with engineered Hck-SH3 domain
Descriptor: Protein Nef, Tyrosine-protein kinase HCK
Authors:Schulte, A, Blankenfeldt, W, Geyer, M.
Deposit date:2011-04-04
Release date:2011-06-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular design, functional characterization and structural basis of a protein inhibitor against the HIV-1 pathogenicity factor Nef.
PLoS ONE, 6, 2011
7BAI
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BU of 7bai by Molmil
Structure of RIG-I CTD (I875A) bound to p-RNA
Descriptor: Antiviral innate immune response receptor RIG-I, RNA (5'-R(*(GDP)P*AP*CP*GP*CP*UP*AP*GP*CP*GP*UP*C)-3'), ZINC ION
Authors:Anand, K, Hagelueken, G, Fusshoeller, D, Geyer, M.
Deposit date:2020-12-15
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:A conserved isoleucine in the RNA sensor RIG-I controls immune tolerance to mitochondrial RNA
To Be Published
7BAH
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BU of 7bah by Molmil
Structure of RIG-I CTD bound to OH-RNA
Descriptor: Antiviral innate immune response receptor RIG-I, RNA (5'-R(*GP*AP*CP*GP*CP*UP*AP*GP*CP*GP*UP*C)-3'), ZINC ION
Authors:Anand, K, Hagelueken, G, Fusshoeller, D, Geyer, M.
Deposit date:2020-12-15
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A conserved isoleucine in the RNA sensor RIG-I controls immune tolerance to mitochondrial RNA
To Be Published
3S9G
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BU of 3s9g by Molmil
Structure of human Hexim1 (delta stammer) coiled coil domain
Descriptor: Protein HEXIM1
Authors:Bigalke, J.M, Blankenfeldt, W, Geyer, M.
Deposit date:2011-06-01
Release date:2011-10-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and Dynamics of a Stabilized Coiled-Coil Domain in the P-TEFb Regulator Hexim1.
J.Mol.Biol., 414, 2011
2L1A
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BU of 2l1a by Molmil
Solution NMR structure of the N-terminal GTPase-like domain of dictyostelium discoideum Fomin C
Descriptor: Formin-C
Authors:Dames, S.A, Schoenichen, A, Stephan, G, Geyer, M.
Deposit date:2010-07-27
Release date:2011-08-17
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure, dynamics, lipid binding, and physiological relevance of the putative GTPase-binding domain of Dictyostelium formin C.
J.Biol.Chem., 286, 2011
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
5NUI
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BU of 5nui by Molmil
Crystal structure of SIVmac239 Nef in an ExxxLM endocytic sorting motif bound state
Descriptor: Protein Nef, SER-GLN-ILE-LYS-ARG-LEU-LEU-SER
Authors:Manrique, S, Horenkamp, F.A, Anand, K, Geyer, M.
Deposit date:2017-04-30
Release date:2017-08-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Endocytic sorting motif interactions involved in Nef-mediated downmodulation of CD4 and CD3.
Nat Commun, 8, 2017
5NUH
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BU of 5nuh by Molmil
Crystal structure of SIVmac239 Nef bound to an engineered Hck SH3 domain
Descriptor: Protein Nef, Tyrosine-protein kinase HCK,Tyrosine-protein kinase HCK
Authors:Horenkamp, F.A, Anand, K, Geyer, M.
Deposit date:2017-04-30
Release date:2017-08-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Endocytic sorting motif interactions involved in Nef-mediated downmodulation of CD4 and CD3.
Nat Commun, 8, 2017
2GD7
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BU of 2gd7 by Molmil
The Structure of the Cyclin T-binding domain of Hexim1 reveals the molecular basis for regulation of transcription elongation
Descriptor: HEXIM1 protein
Authors:Dames, S.A.
Deposit date:2006-03-15
Release date:2007-06-12
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of the Cyclin T binding domain of Hexim1 and molecular basis for its recognition of P-TEFb.
Proc.Natl.Acad.Sci.Usa, 104, 2007
1I35
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BU of 1i35 by Molmil
SOLUTION STRUCTURE OF THE RAS-BINDING DOMAIN OF THE PROTEIN KINASE BYR2 FROM SCHIZOSACCHAROMYCES POMBE
Descriptor: PROTEIN KINASE BYR2
Authors:Gronwald, W, Huber, F, Grunewald, P, Sporner, M, Wohlgemuth, S, Herrmann, C, Kalbitzer, H.R.
Deposit date:2001-02-13
Release date:2001-12-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the Ras binding domain of the protein kinase Byr2 from Schizosaccharomyces pombe.
Structure, 9, 2001
8A90
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BU of 8a90 by Molmil
Crystal structure of FrsH
Descriptor: ACETATE ION, FE (III) ION, GLYCEROL, ...
Authors:Schneberger, N, Wirtz, D.A, Cruesemann, M, Hagelueken, G.
Deposit date:2022-06-27
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.574 Å)
Cite:Adenylation Domain-Guided Recruitment of Trans- Acting Nonheme Monooxygenases in Nonribosomal Peptide Biosynthesis.
Acs Chem.Biol., 18, 2023
1AGP
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BU of 1agp by Molmil
THREE-DIMENSIONAL STRUCTURES AND PROPERTIES OF A TRANSFORMING AND A NONTRANSFORMING GLY-12 MUTANT OF P21-H-RAS
Descriptor: C-H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Franken, S.M, Scheidig, A.J, Wittinghofer, A, Goody, R.S.
Deposit date:1993-03-29
Release date:1994-04-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Three-dimensional structures and properties of a transforming and a nontransforming glycine-12 mutant of p21H-ras.
Biochemistry, 32, 1993
5ACB
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BU of 5acb by Molmil
Crystal Structure of the Human Cdk12-Cyclink Complex
Descriptor: CYCLIN-DEPENDENT KINASE 12, CYCLIN-K, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide
Authors:Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Mackenzie, A, Goubin, S, Strain-Damerell, C, Mahajan, P, Tallant, C, Chalk, R, Wiggers, H, Kopec, J, Fitzpatrick, F, Burgess-Brown, N, Carpenter, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2015-08-14
Release date:2016-06-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Covalent Targeting of Remote Cysteine Residues to Develop Cdk12 and Cdk13 Inhibitors.
Nat.Chem.Biol., 12, 2016
8B0R
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BU of 8b0r by Molmil
Structure of the CalpL/cA4 complex
Descriptor: Cyclic tetraadenosine monophosphate (cA4), SMODS-associated and fused to various effectors domain-containing protein, SULFATE ION, ...
Authors:Schneberger, N, Hagelueken, G.
Deposit date:2022-09-08
Release date:2022-11-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Antiviral signalling by a cyclic nucleotide activated CRISPR protease.
Nature, 614, 2023

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