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4LYW
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Crystal Structure of BRD4(1) bound to inhibitor XD14
分子名称: 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
著者Wohlwend, D, Gerhardt, S, Einsle, O.
登録日2013-07-31
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
4LZR
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Crystal Structure of BRD4(1) bound to Colchicine
分子名称: Bromodomain-containing protein 4, N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide
著者Wohlwend, D, Gerhardt, S, Einsle, O, Huegle, M.
登録日2013-08-01
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
2RJE
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Crystal structure of L3MBTL1 in complex with H4K20Me2 (residues 17-25), orthorhombic form II
分子名称: CHLORIDE ION, Histone H4, Lethal(3)malignant brain tumor-like protein
著者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)
登録日2007-10-14
公開日2007-10-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献L3MBTL1 recognition of mono- and dimethylated histones.
Nat.Struct.Mol.Biol., 14, 2007
2RSV
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BU of 2rsv by Molmil
Solution structure of human full-length vaccinia related kinase 1 (VRK1)
分子名称: Serine/threonine-protein kinase VRK1
著者Koshiba, S, Tochio, N, Yokoyama, J, Kigawa, T.
登録日2012-07-12
公開日2013-12-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A strategy for structure determination of large molecular weight protein using isotope labeling methodology with cell-free protein systhesis: application to 45 kDa human vaccinia related kianse 1 (VRK1)
To be Published
2RMB
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BU of 2rmb by Molmil
Crystal structures of cyclophilin A complexed with cyclosporin A and N-methyl-4-[(E)-2-butenyl]-4,4-dimethylthreonine cyclosporin A
分子名称: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
著者Ke, H, Mayrose, D.
登録日1994-01-07
公開日1995-02-07
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of Cyclophilin a Complexed with Cyclosporin a and N-Methyl-4-[(E)-2-Butenyl]-4,4-Dimethylthreonine Cyclosporin A.
Structure, 2, 1994
2RMR
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BU of 2rmr by Molmil
Solution structure of mSin3A PAH1 domain
分子名称: Paired amphipathic helix protein Sin3a
著者Sahu, S.C, Swanson, K.A, Kang, R.S, Huang, K, Brubaker, K, Ratcliff, K, Radhakrishnan, I.
登録日2007-11-14
公開日2008-01-22
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Conserved Themes in Target Recognition by the PAH1 and PAH2 Domains of the Sin3 Transcriptional Corepressor
J.Mol.Biol., 375, 2007
2RRB
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BU of 2rrb by Molmil
Refinement of RNA binding domain in human Tra2 beta protein
分子名称: cDNA FLJ40872 fis, clone TUTER2000283, highly similar to Homo sapiens transformer-2-beta (SFRS10) gene
著者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)
登録日2010-06-17
公開日2011-04-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural basis for the dual RNA-recognition modes of human Tra2-beta RRM.
Nucleic Acids Res., 39, 2011
4KUM
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BU of 4kum by Molmil
Structure of LSD1-CoREST-Tetrahydrofolate complex
分子名称: (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Luka, Z, Pakhomova, S, Loukachevitch, L.V, Calcutt, M.W, Newcomer, M.E, Wagner, C.
登録日2013-05-22
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Crystal structure of the histone lysine specific demethylase LSD1 complexed with tetrahydrofolate.
Protein Sci., 23, 2014
4KXY
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BU of 4kxy by Molmil
Human transketolase in complex with ThDP analogue (R)-2-(1,2-dihydroxyethyl)-3-deaza-ThDP
分子名称: 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, ...
著者Neumann, P, Luedtke, S, Erixon, K.M, Leeper, F, Kluger, R, Ficner, R, Tittmann, K.
登録日2013-05-28
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate.
Nat Chem, 5, 2013
2RRU
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BU of 2rru by Molmil
Solution structure of the UBA omain of p62 and its interaction with ubiquitin
分子名称: Sequestosome-1
著者Isogai, S, Morimoto, D, Arita, K, Unzai, S, Tenno, T, Hasegawa, J, Sou, Y, Komatsu, M, Tanaka, K, Shirakawa, M, Tochio, H.
登録日2011-06-09
公開日2011-06-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Crystal structure of the UBA omain of p62 and its interaction with ubiquitin
To be Published
2RVL
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BU of 2rvl by Molmil
Solution structure of the chromodomain of HP1alpha with the N-terminal tail
分子名称: Chromobox protein homolog 5
著者Kawaguchi, A, Nishimura, Y.
登録日2015-12-18
公開日2016-03-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Extended string-like binding of the phosphorylated HP1 alpha N-terminal tail to the lysine 9-methylated histone H3 tail
Sci Rep, 6, 2016
4LDB
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BU of 4ldb by Molmil
Crystal Structure of Ebola Virus VP40 Dimer
分子名称: Matrix protein VP40
著者Bornholdt, Z.A, Ableson, D.M, Saphire, E.O.
登録日2013-06-24
公開日2013-08-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Rearrangement of Ebola Virus VP40 Begets Multiple Functions in the Virus Life Cycle.
Cell(Cambridge,Mass.), 154, 2013
4MI0
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BU of 4mi0 by Molmil
Human Enhancer of Zeste (Drosophila) Homolog 2(EZH2)
分子名称: Histone-lysine N-methyltransferase EZH2, UNKNOWN ATOM OR ION, ZINC ION
著者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)
登録日2013-08-30
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the catalytic domain of EZH2 reveals conformational plasticity in cofactor and substrate binding sites and explains oncogenic mutations.
Plos One, 8, 2013
4LYI
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BU of 4lyi by Molmil
Crystal Structure of apo-BRD4(1)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, IODIDE ION, ...
著者Wohlwend, D.
登録日2013-07-31
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
2UXX
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BU of 2uxx by Molmil
Human LSD1 Histone Demethylase-CoREST in complex with an FAD- tranylcypromine adduct
分子名称: CHLORIDE ION, FAD-trans-2-Phenylcyclopropylamine Adduct, GLYCEROL, ...
著者Yang, M, Culhane, J.C, Machius, M, Cole, P.A, Yu, H.
登録日2007-03-30
公開日2007-08-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Structural Basis for the Inhibition of the Lsd1 Histone Demethylase by the Antidepressant Trans-2-Phenylcyclopropylamine.
Biochemistry, 46, 2007
4LXZ
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BU of 4lxz by Molmil
Structure of Human HDAC2 in complex with SAHA (vorinostat)
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, Histone deacetylase 2, ...
著者Fong, R, Lupardus, P.J.
登録日2013-07-30
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Histone Deacetylase (HDAC) Inhibitor Kinetic Rate Constants Correlate with Cellular Histone Acetylation but Not Transcription and Cell Viability.
J.Biol.Chem., 288, 2013
4LZS
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BU of 4lzs by Molmil
Crystal Structure of BRD4(1) bound to inhibitor XD46
分子名称: 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
著者Wohlwend, D, Huegle, M, Einsle, O, Gerhardt, S.
登録日2013-08-01
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
4KTV
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BU of 4ktv by Molmil
Structural insights of MAT enzymes: MATa2b complexed with adenosine and pyrophosphate
分子名称: 1,2-ETHANEDIOL, ADENOSINE, MAGNESIUM ION, ...
著者Murray, B, Antonyuk, S.V, Marina, A, Lu, S.C, Mato, J.M, Hasnain, S.S, Rojas, A.L.
登録日2013-05-21
公開日2014-07-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure and function study of the complex that synthesizes S-adenosylmethionine.
IUCrJ, 1, 2014
2W1E
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BU of 2w1e by Molmil
Structure determination of Aurora Kinase in complex with inhibitor
分子名称: 4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-5-YL)METHYL]MORPHOLIN-4-IUM, SERINE/THREONINE-PROTEIN KINASE 6
著者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.
登録日2008-10-17
公開日2009-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
4LBD
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BU of 4lbd by Molmil
LIGAND-BINDING DOMAIN OF THE HUMAN RETINOIC ACID RECEPTOR GAMMA BOUND TO THE SYNTHETIC AGONIST BMS961
分子名称: 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
著者Klaholz, B.P, Renaud, J.-P, Mitschler, A, Moras, D, Structural Proteomics in Europe (SPINE)
登録日1998-02-04
公開日1999-03-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Conformational adaptation of agonists to the human nuclear receptor RAR gamma.
Nat.Struct.Biol., 5, 1998
4M49
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Lactate Dehydrogenase A in complex with a substituted pyrazine inhibitor compound 18
分子名称: 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, ...
著者Eigenbrot, C, Ultsch, M.
登録日2013-08-06
公開日2013-09-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.052 Å)
主引用文献Identification of 2-amino-5-aryl-pyrazines as inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 23, 2013
4MD7
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BU of 4md7 by Molmil
Crystal Structure of full-length symmetric CK2 holoenzyme
分子名称: Casein kinase II subunit alpha, Casein kinase II subunit beta, ZINC ION
著者Lolli, G, Ranchio, A, Battistutta, R.
登録日2013-08-22
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Active Form of the Protein Kinase CK2 alpha 2 beta 2 Holoenzyme Is a Strong Complex with Symmetric Architecture.
Acs Chem.Biol., 9, 2014
2W1F
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BU of 2w1f by Molmil
Structure determination of Aurora Kinase in complex with inhibitor
分子名称: N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6
著者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.
登録日2008-10-17
公開日2009-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
4MHG
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Crystal structure of ETV6 bound to a specific DNA sequence
分子名称: Complementary Specific 14 bp DNA, Specific 14 bp DNA, Transcription factor ETV6
著者Chan, A.C, De, S, Coyne III, H.J, Okon, M, Murphy, M.E, Graves, B.J, McIntosh, L.P.
登録日2013-08-29
公開日2014-01-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Steric Mechanism of Auto-Inhibitory Regulation of Specific and Non-Specific DNA Binding by the ETS Transcriptional Repressor ETV6.
J.Mol.Biol., 426, 2014
2W1G
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Structure determination of Aurora Kinase in complex with inhibitor
分子名称: 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
著者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.
登録日2008-10-17
公開日2009-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献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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