4LYW
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![BU of 4lyw by Molmil](/molmil-images/mine/4lyw) | Crystal Structure of BRD4(1) bound to inhibitor XD14 | Descriptor: | 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | Authors: | Wohlwend, D, Gerhardt, S, Einsle, O. | Deposit date: | 2013-07-31 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
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4LZR
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![BU of 4lzr by Molmil](/molmil-images/mine/4lzr) | Crystal Structure of BRD4(1) bound to Colchicine | Descriptor: | Bromodomain-containing protein 4, N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide | Authors: | Wohlwend, D, Gerhardt, S, Einsle, O, Huegle, M. | Deposit date: | 2013-08-01 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
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2RJE
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![BU of 2rje by Molmil](/molmil-images/mine/2rje) | Crystal structure of L3MBTL1 in complex with H4K20Me2 (residues 17-25), orthorhombic form II | Descriptor: | CHLORIDE ION, Histone H4, Lethal(3)malignant brain tumor-like protein | Authors: | Allali-Hassani, A, Liu, Y, Herzanych, N, Ouyang, H, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J.R, Structural Genomics Consortium (SGC) | Deposit date: | 2007-10-14 | Release date: | 2007-10-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | L3MBTL1 recognition of mono- and dimethylated histones. Nat.Struct.Mol.Biol., 14, 2007
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2RSV
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![BU of 2rsv by Molmil](/molmil-images/mine/2rsv) | |
2RMB
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![BU of 2rmb by Molmil](/molmil-images/mine/2rmb) | |
2RMR
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![BU of 2rmr by Molmil](/molmil-images/mine/2rmr) | Solution structure of mSin3A PAH1 domain | Descriptor: | Paired amphipathic helix protein Sin3a | Authors: | Sahu, S.C, Swanson, K.A, Kang, R.S, Huang, K, Brubaker, K, Ratcliff, K, Radhakrishnan, I. | Deposit date: | 2007-11-14 | Release date: | 2008-01-22 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Conserved Themes in Target Recognition by the PAH1 and PAH2 Domains of the Sin3 Transcriptional Corepressor J.Mol.Biol., 375, 2007
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2RRB
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![BU of 2rrb by Molmil](/molmil-images/mine/2rrb) | Refinement of RNA binding domain in human Tra2 beta protein | Descriptor: | cDNA FLJ40872 fis, clone TUTER2000283, highly similar to Homo sapiens transformer-2-beta (SFRS10) gene | Authors: | Tsuda, K, Kuwasako, K, Takahashi, M, Someya, T, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Sugano, S, Muto, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2010-06-17 | Release date: | 2011-04-27 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural basis for the dual RNA-recognition modes of human Tra2-beta RRM. Nucleic Acids Res., 39, 2011
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4KUM
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![BU of 4kum by Molmil](/molmil-images/mine/4kum) | Structure of LSD1-CoREST-Tetrahydrofolate complex | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Luka, Z, Pakhomova, S, Loukachevitch, L.V, Calcutt, M.W, Newcomer, M.E, Wagner, C. | Deposit date: | 2013-05-22 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Crystal structure of the histone lysine specific demethylase LSD1 complexed with tetrahydrofolate. Protein Sci., 23, 2014
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4KXY
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![BU of 4kxy by Molmil](/molmil-images/mine/4kxy) | Human transketolase in complex with ThDP analogue (R)-2-(1,2-dihydroxyethyl)-3-deaza-ThDP | Descriptor: | 1,2-ETHANEDIOL, 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1R)-1,2-dihydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate, CALCIUM ION, ... | Authors: | Neumann, P, Luedtke, S, Erixon, K.M, Leeper, F, Kluger, R, Ficner, R, Tittmann, K. | Deposit date: | 2013-05-28 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate. Nat Chem, 5, 2013
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2RRU
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![BU of 2rru by Molmil](/molmil-images/mine/2rru) | Solution structure of the UBA omain of p62 and its interaction with ubiquitin | Descriptor: | Sequestosome-1 | Authors: | Isogai, S, Morimoto, D, Arita, K, Unzai, S, Tenno, T, Hasegawa, J, Sou, Y, Komatsu, M, Tanaka, K, Shirakawa, M, Tochio, H. | Deposit date: | 2011-06-09 | Release date: | 2011-06-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Crystal structure of the UBA omain of p62 and its interaction with ubiquitin To be Published
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2RVL
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![BU of 2rvl by Molmil](/molmil-images/mine/2rvl) | |
4LDB
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![BU of 4ldb by Molmil](/molmil-images/mine/4ldb) | |
4MI0
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![BU of 4mi0 by Molmil](/molmil-images/mine/4mi0) | Human Enhancer of Zeste (Drosophila) Homolog 2(EZH2) | Descriptor: | Histone-lysine N-methyltransferase EZH2, UNKNOWN ATOM OR ION, ZINC ION | Authors: | Dong, A, Zeng, H, He, H, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2013-08-30 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the catalytic domain of EZH2 reveals conformational plasticity in cofactor and substrate binding sites and explains oncogenic mutations. Plos One, 8, 2013
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4LYI
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![BU of 4lyi by Molmil](/molmil-images/mine/4lyi) | Crystal Structure of apo-BRD4(1) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, IODIDE ION, ... | Authors: | Wohlwend, D. | Deposit date: | 2013-07-31 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
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2UXX
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![BU of 2uxx by Molmil](/molmil-images/mine/2uxx) | Human LSD1 Histone Demethylase-CoREST in complex with an FAD- tranylcypromine adduct | Descriptor: | CHLORIDE ION, FAD-trans-2-Phenylcyclopropylamine Adduct, GLYCEROL, ... | Authors: | Yang, M, Culhane, J.C, Machius, M, Cole, P.A, Yu, H. | Deposit date: | 2007-03-30 | Release date: | 2007-08-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Structural Basis for the Inhibition of the Lsd1 Histone Demethylase by the Antidepressant Trans-2-Phenylcyclopropylamine. Biochemistry, 46, 2007
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4LXZ
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![BU of 4lxz by Molmil](/molmil-images/mine/4lxz) | Structure of Human HDAC2 in complex with SAHA (vorinostat) | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, Histone deacetylase 2, ... | Authors: | Fong, R, Lupardus, P.J. | Deposit date: | 2013-07-30 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Histone Deacetylase (HDAC) Inhibitor Kinetic Rate Constants Correlate with Cellular Histone Acetylation but Not Transcription and Cell Viability. J.Biol.Chem., 288, 2013
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4LZS
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![BU of 4lzs by Molmil](/molmil-images/mine/4lzs) | Crystal Structure of BRD4(1) bound to inhibitor XD46 | Descriptor: | 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | Authors: | Wohlwend, D, Huegle, M, Einsle, O, Gerhardt, S. | Deposit date: | 2013-08-01 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
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4KTV
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![BU of 4ktv by Molmil](/molmil-images/mine/4ktv) | Structural insights of MAT enzymes: MATa2b complexed with adenosine and pyrophosphate | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE, MAGNESIUM ION, ... | Authors: | Murray, B, Antonyuk, S.V, Marina, A, Lu, S.C, Mato, J.M, Hasnain, S.S, Rojas, A.L. | Deposit date: | 2013-05-21 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure and function study of the complex that synthesizes S-adenosylmethionine. IUCrJ, 1, 2014
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2W1E
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![BU of 2w1e by Molmil](/molmil-images/mine/2w1e) | Structure determination of Aurora Kinase in complex with inhibitor | Descriptor: | 4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-5-YL)METHYL]MORPHOLIN-4-IUM, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | Deposit date: | 2008-10-17 | Release date: | 2009-01-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity. J.Med.Chem., 52, 2009
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4LBD
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![BU of 4lbd by Molmil](/molmil-images/mine/4lbd) | LIGAND-BINDING DOMAIN OF THE HUMAN RETINOIC ACID RECEPTOR GAMMA BOUND TO THE SYNTHETIC AGONIST BMS961 | Descriptor: | 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID, RETINOIC ACID RECEPTOR GAMMA | Authors: | Klaholz, B.P, Renaud, J.-P, Mitschler, A, Moras, D, Structural Proteomics in Europe (SPINE) | Deposit date: | 1998-02-04 | Release date: | 1999-03-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Conformational adaptation of agonists to the human nuclear receptor RAR gamma. Nat.Struct.Biol., 5, 1998
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4M49
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![BU of 4m49 by Molmil](/molmil-images/mine/4m49) | Lactate Dehydrogenase A in complex with a substituted pyrazine inhibitor compound 18 | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-(5-amino-6-{[(1R)-1-phenylethyl]amino}pyrazin-2-yl)-4-chlorobenzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2013-08-06 | Release date: | 2013-09-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Identification of 2-amino-5-aryl-pyrazines as inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 23, 2013
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4MD7
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![BU of 4md7 by Molmil](/molmil-images/mine/4md7) | |
2W1F
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![BU of 2w1f by Molmil](/molmil-images/mine/2w1f) | Structure determination of Aurora Kinase in complex with inhibitor | Descriptor: | N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | Deposit date: | 2008-10-17 | Release date: | 2009-01-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity. J.Med.Chem., 52, 2009
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4MHG
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![BU of 4mhg by Molmil](/molmil-images/mine/4mhg) | Crystal structure of ETV6 bound to a specific DNA sequence | Descriptor: | Complementary Specific 14 bp DNA, Specific 14 bp DNA, Transcription factor ETV6 | Authors: | Chan, A.C, De, S, Coyne III, H.J, Okon, M, Murphy, M.E, Graves, B.J, McIntosh, L.P. | Deposit date: | 2013-08-29 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | Steric Mechanism of Auto-Inhibitory Regulation of Specific and Non-Specific DNA Binding by the ETS Transcriptional Repressor ETV6. J.Mol.Biol., 426, 2014
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2W1G
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![BU of 2w1g by Molmil](/molmil-images/mine/2w1g) | Structure determination of Aurora Kinase in complex with inhibitor | Descriptor: | 2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-6-(MORPHOLIN-4-IUM-4-YLMETHYL)-1H-3,1-BENZIMIDAZOL-3-IUM, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | Deposit date: | 2008-10-17 | Release date: | 2009-01-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity. J.Med.Chem., 52, 2009
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