3F9Z
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![BU of 3f9z by Molmil](/molmil-images/mine/3f9z) | Structural Insights into Lysine Multiple Methylation by SET Domain Methyltransferases, SET8-Y245F / H4-Lys20 / AdoHcy | Descriptor: | Histone H4, Histone-lysine N-methyltransferase SETD8, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Couture, J.-F, Dirk, L.M.A, Brunzelle, J.S, Houtz, R.L, Trievel, R.C. | Deposit date: | 2008-11-14 | Release date: | 2008-11-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural origins for the product specificity of SET domain protein methyltransferases. Proc.Natl.Acad.Sci.Usa, 105, 2008
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3FDE
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![BU of 3fde by Molmil](/molmil-images/mine/3fde) | Mouse UHRF1 SRA domain bound with hemi-methylated CpG DNA, crystal structure in space group C222(1) at 1.4 A resolution | Descriptor: | 1,2-ETHANEDIOL, 5'-D(*CP*CP*AP*TP*GP*(5CM)P*GP*CP*TP*GP*AP*C)-3', 5'-D(*GP*TP*CP*AP*GP*CP*GP*CP*AP*TP*GP*G)-3', ... | Authors: | Hashimoto, H, Horton, J.R, Zhang, X, Cheng, X. | Deposit date: | 2008-11-25 | Release date: | 2009-01-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | UHRF1, a modular multi-domain protein, regulates replication-coupled crosstalk between DNA methylation and histone modifications. Epigenetics, 4, 2009
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4DK8
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![BU of 4dk8 by Molmil](/molmil-images/mine/4dk8) | Crystal structure of LXR ligand binding domain in complex with partial agonist 5 | Descriptor: | ACETATE ION, CALCIUM ION, N-methyl-N-(4-{(1S)-2,2,2-trifluoro-1-hydroxy-1-[1-(2-methoxyethyl)-1H-pyrrol-2-yl]ethyl}phenyl)benzenesulfonamide, ... | Authors: | Piper, D.E, Kopecky, D.J, Xu, H. | Deposit date: | 2012-02-03 | Release date: | 2012-03-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Discovery of a new binding mode for a series of liver X receptor agonists. Bioorg.Med.Chem.Lett., 22, 2012
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4DON
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![BU of 4don by Molmil](/molmil-images/mine/4don) | Brd4 Bromodomain 1 complex with a fragment 3,4-Dihydro-3-methyl-2(1H)-quinazolinon | Descriptor: | 3-methyl-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4 | Authors: | Xiong, B, Cao, D.Y, Chen, W.Y, Chen, T.T, Xu, Y.C, Shen, J.K. | Deposit date: | 2012-02-09 | Release date: | 2013-02-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Brd4 Bromodomain 1 complex with a fragment 3,4-Dihydro-3-methyl-2(1H)-quinazolinon To be Published
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3D2K
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![BU of 3d2k by Molmil](/molmil-images/mine/3d2k) | Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with [7-(2-{2-[3-(3-chloro-phenyl)-ureido]-thiazol-5-yl}-ethylamino)-pyrazolo[4,3-d]pyrimidin-1-yl]-acetic acid | Descriptor: | (7-{[2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-5-yl)ethyl]amino}-1H-pyrazolo[4,3-d]pyrimidin-1-yl)acetic acid, serine/threonine kinase 6 | Authors: | Elling, R.A, Oslob, J.D, Yu, C, Romanowski, M.J. | Deposit date: | 2008-05-08 | Release date: | 2009-05-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Aurora-A-selective inhibitors To be Published
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4DGC
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![BU of 4dgc by Molmil](/molmil-images/mine/4dgc) | TRIMCyp cyclophilin domain from Macaca mulatta: cyclosporin A complex | Descriptor: | TRIMCyp, cyclosporin A | Authors: | Caines, M.E.C, Bichel, K, Price, A.J, McEwan, W.A, James, L.C. | Deposit date: | 2012-01-25 | Release date: | 2012-02-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Diverse HIV viruses are targeted by a conformationally dynamic antiviral. Nat.Struct.Mol.Biol., 19, 2012
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4DEB
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![BU of 4deb by Molmil](/molmil-images/mine/4deb) | Aurora A in complex with RK2-17-01 | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzamide, Aurora kinase A | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2012-01-20 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Development of o-Chlorophenyl Substituted Pyrimidines as Exceptionally Potent Aurora Kinase Inhibitors. J.Med.Chem., 55, 2012
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3DB4
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![BU of 3db4 by Molmil](/molmil-images/mine/3db4) | Crystal structure of the tandem tudor domains of the E3 ubiquitin-protein ligase UHRF1 | Descriptor: | E3 ubiquitin-protein ligase UHRF1, SULFATE ION | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Dong, A, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-05-30 | Release date: | 2008-09-16 | Last modified: | 2012-04-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Recognition of multivalent histone states associated with heterochromatin by UHRF1 protein. J.Biol.Chem., 286, 2011
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4AU7
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![BU of 4au7 by Molmil](/molmil-images/mine/4au7) | The structure of the Suv4-20h2 ternary complex with histone H4 | Descriptor: | 1,2-ETHANEDIOL, HISTONE H4 PEPTIDE, HISTONE-LYSINE N-METHYLTRANSFERASE SUV420H2, ... | Authors: | Southall, S.M, Cronin, N.B, Wilson, J.R. | Deposit date: | 2012-05-14 | Release date: | 2013-05-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | A Novel Route to Product Specificity in the Suv4-20 Family of Histone H4K20 Methyltransferases. Nucleic Acids Res., 42, 2014
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3E1Y
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![BU of 3e1y by Molmil](/molmil-images/mine/3e1y) | Crystal structure of human eRF1/eRF3 complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Eukaryotic peptide chain release factor GTP-binding subunit ERF3A, Eukaryotic peptide chain release factor subunit 1 | Authors: | Cheng, Z, Lim, M, Kong, C, Song, H. | Deposit date: | 2008-08-05 | Release date: | 2009-05-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structural insights into eRF3 and stop codon recognition by eRF1 Genes Dev., 23, 2009
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4CI1
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![BU of 4ci1 by Molmil](/molmil-images/mine/4ci1) | Structure of the DDB1-CRBN E3 ubiquitin ligase bound to thalidomide | Descriptor: | DNA DAMAGE-BINDING PROTEIN 1, PROTEIN CEREBLON, S-Thalidomide, ... | Authors: | Fischer, E.S, Boehm, K, Thoma, N.H. | Deposit date: | 2013-12-05 | Release date: | 2014-07-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Structure of the Ddb1-Crbn E3 Ubiquitin Ligase in Complex with Thalidomide. Nature, 512, 2014
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3DJ5
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![BU of 3dj5 by Molmil](/molmil-images/mine/3dj5) | Crystal structure of the mouse Aurora-A catalytic domain (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with Compound 290. | Descriptor: | 3-({3-[(6-amino-5-bromopyrimidin-4-yl)sulfanyl]propanoyl}amino)-4-methoxy-N-phenylbenzamide, serine/threonine kinase 6 | Authors: | Elling, R.A, Erlanson, D.A, Yang, W, Tangonan, B.T, Hansen, S.K, Romanowski, M.J. | Deposit date: | 2008-06-22 | Release date: | 2009-05-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | New fragment-based drug discovery To be Published
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3DJ6
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![BU of 3dj6 by Molmil](/molmil-images/mine/3dj6) | Crystal structure of the mouse Aurora-A catalytic domain (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with Compound 823. | Descriptor: | 4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide, serine/threonine kinase 6 | Authors: | Elling, R.A, Erlanson, D.A, Yang, W, Tangonan, B.T, Hansen, S.K, Romanowski, M.J. | Deposit date: | 2008-06-22 | Release date: | 2009-05-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | New fragment-based drug discovery To be Published
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3F8J
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![BU of 3f8j by Molmil](/molmil-images/mine/3f8j) | Mouse UHRF1 SRA domain bound with hemi-methylated CpG, crystal structure in space group C222(1) | Descriptor: | 5'-D(*DCP*DCP*DAP*DTP*DGP*(5CM)P*DGP*DCP*DTP*DGP*DAP*DC)-3', 5'-D(*DGP*DTP*DCP*DAP*DGP*DCP*DGP*DCP*DAP*DTP*DGP*DG)-3', E3 ubiquitin-protein ligase UHRF1, ... | Authors: | Hashimoto, H, Horton, J.R, Zhang, X, Cheng, X. | Deposit date: | 2008-11-12 | Release date: | 2009-01-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | UHRF1, a modular multi-domain protein, regulates replication-coupled crosstalk between DNA methylation and histone modifications. Epigenetics, 4, 2009
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4DED
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![BU of 4ded by Molmil](/molmil-images/mine/4ded) | Aurora A in complex with YL1-038-21 | Descriptor: | 1,2-ETHANEDIOL, 2-({2-[(4-carbamoylphenyl)amino]pyrimidin-4-yl}amino)benzamide, Aurora kinase A | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2012-01-20 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Development of o-Chlorophenyl Substituted Pyrimidines as Exceptionally Potent Aurora Kinase Inhibitors. J.Med.Chem., 55, 2012
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4DHX
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![BU of 4dhx by Molmil](/molmil-images/mine/4dhx) | ENY2:GANP complex | Descriptor: | 80 kDa MCM3-associated protein, Enhancer of yellow 2 transcription factor homolog | Authors: | Stewart, M, Jani, D. | Deposit date: | 2012-01-30 | Release date: | 2012-06-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Functional and structural characterization of the mammalian TREX-2 complex that links transcription with nuclear messenger RNA export. Nucleic Acids Res., 40, 2012
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3FC2
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![BU of 3fc2 by Molmil](/molmil-images/mine/3fc2) | PLK1 in complex with BI6727 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bader, G. | Deposit date: | 2008-11-21 | Release date: | 2009-05-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | BI 6727, A Polo-like Kinase Inhibitor with Improved Pharmacokinetic Profile and Broad Antitumor Activity. Clin.Cancer Res., 15, 2009
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4D5Y
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![BU of 4d5y by Molmil](/molmil-images/mine/4d5y) | Cryo-EM structures of ribosomal 80S complexes with termination factors and cricket paralysis virus IRES reveal the IRES in the translocated state | Descriptor: | 28S Ribosomal RNA, 5.8S Ribosomal RNA, 5S Ribosomal RNA, ... | Authors: | Muhs, M, Hilal, T, Mielke, T, Skabkin, M.A, Sanbonmatsu, K.Y, Pestova, T.V, Spahn, C.M.T. | Deposit date: | 2014-11-07 | Release date: | 2015-03-04 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (9 Å) | Cite: | Cryo-Em Structures of Ribosomal 80S Complexes with Termination Factors and Cricket Paralysis Virus Ires Reveal the Ires in the Translocated State Mol.Cell, 57, 2015
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3CW1
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![BU of 3cw1 by Molmil](/molmil-images/mine/3cw1) | Crystal Structure of Human Spliceosomal U1 snRNP | Descriptor: | Small nuclear ribonucleoprotein E, Small nuclear ribonucleoprotein F, Small nuclear ribonucleoprotein G, ... | Authors: | Pomeranz Krummel, D.A, Oubridge, C, Leung, A.K, Li, J, Nagai, K. | Deposit date: | 2008-04-21 | Release date: | 2009-03-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (5.493 Å) | Cite: | Crystal structure of human spliceosomal U1 snRNP at 5.5 A resolution. Nature, 458, 2009
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3D24
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![BU of 3d24 by Molmil](/molmil-images/mine/3d24) | Crystal structure of ligand-binding domain of estrogen-related receptor alpha (ERRalpha) in complex with the peroxisome proliferators-activated receptor coactivator-1alpha box3 peptide (PGC-1alpha) | Descriptor: | Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Steroid hormone receptor ERR1 | Authors: | Moras, D, Greschik, H, Flaig, R, Sato, Y, Rochel, N, Structural Proteomics in Europe (SPINE) | Deposit date: | 2008-05-07 | Release date: | 2008-06-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Communication between the ERR{alpha} Homodimer Interface and the PGC-1{alpha} Binding Surface via the Helix 8-9 Loop. J.Biol.Chem., 283, 2008
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4BW1
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![BU of 4bw1 by Molmil](/molmil-images/mine/4bw1) | The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 4 | Authors: | Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E. | Deposit date: | 2013-06-29 | Release date: | 2013-09-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Naphthyridines as Novel Bet Family Bromodomain Inhibitors. Chemmedchem, 9, 2014
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4BW3
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![BU of 4bw3 by Molmil](/molmil-images/mine/4bw3) | The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand | Descriptor: | 1,2-ETHANEDIOL, 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 4 | Authors: | Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E. | Deposit date: | 2013-06-29 | Release date: | 2013-09-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Naphthyridines as Novel Bet Family Bromodomain Inhibitors. Chemmedchem, 9, 2014
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4BZB
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![BU of 4bzb by Molmil](/molmil-images/mine/4bzb) | Crystal structure of the tetrameric dGTP-bound SAMHD1 mutant catalytic core | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, MAGNESIUM ION | Authors: | Ji, X, Yang, H, Wu, Y, Yan, J, Mehrens, J, DeLucia, M, Hao, C, Gronenborn, A.M, Skowronski, J, Ahn, J, Xiong, Y. | Deposit date: | 2013-07-25 | Release date: | 2013-10-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Mechanism of Allosteric Activation of Samhd1 by Dgtp Nat.Struct.Mol.Biol., 20, 2013
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3CF1
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![BU of 3cf1 by Molmil](/molmil-images/mine/3cf1) | Structure of P97/vcp in complex with ADP/ADP.alfx | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Transitional endoplasmic reticulum ATPase | Authors: | Davies, J.M, Delabarre, B, Brunger, A.T, Weis, W.I. | Deposit date: | 2008-03-01 | Release date: | 2008-04-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (4.4 Å) | Cite: | Improved structures of full-length p97, an AAA ATPase: implications for mechanisms of nucleotide-dependent conformational change. Structure, 16, 2008
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3D15
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![BU of 3d15 by Molmil](/molmil-images/mine/3d15) | Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-(3-chloro-phenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)- ethyl]-thiazol-2-yl}-urea [SNS-314] | Descriptor: | 1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea, serine/threonine kinase 6 | Authors: | Elling, R.A, Bui, M, Allen, D.A, Oslob, J.D, Romanowski, M.J. | Deposit date: | 2008-05-04 | Release date: | 2009-05-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of a potent and selective aurora kinase inhibitor. Bioorg.Med.Chem.Lett., 18, 2008
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