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4ZP9
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Coxsackievirus B3 Polymerase - F364I mutant
分子名称: RNA-dependent RNA polymerase
著者Peersen, O.B, McDonald, S.M.
登録日2015-05-07
公開日2016-05-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Design of a Genetically Stable High Fidelity Coxsackievirus B3 Polymerase That Attenuates Virus Growth in Vivo.
J.Biol.Chem., 291, 2016
4BUP
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BU of 4bup by Molmil
A novel route to product specificity in the Suv4-20 family of histone H4K20 methyltransferases
分子名称: GLYCEROL, HISTONE-LYSINE N-METHYLTRANSFERASE SUV420H1, S-ADENOSYLMETHIONINE, ...
著者Southall, S.M, Cronin, N.B, Wilson, J.R.
登録日2013-06-21
公開日2013-10-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.166 Å)
主引用文献A Novel Route to Product Specificity in the Suv4-20 Family of Histone H4K20 Methyltransferases.
Nucleic Acids Res., 42, 2014
6MLC
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PHD6 domain of MLL3 in complex with histone H4
分子名称: GLYCEROL, Histone H4, Histone-lysine N-methyltransferase 2C, ...
著者Dong, A, Liu, Y, Qin, S, Lei, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2018-09-27
公開日2018-10-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into trans-histone regulation of H3K4 methylation by unique histone H4 binding of MLL3/4.
Nat Commun, 10, 2019
3PM7
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Crystal Structure of EF_3132 protein from Enterococcus faecalis at the resolution 2A, Northeast Structural Genomics Consortium Target EfR184
分子名称: DI(HYDROXYETHYL)ETHER, SULFATE ION, Uncharacterized protein
著者Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2010-11-16
公開日2010-12-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Northeast Structural Genomics Consortium Target EfR184
To be Published
5L3F
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LSD1-CoREST1 in complex with polymyxin B
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, Polmyxin B, ...
著者Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A.
登録日2016-04-10
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features.
Sci Adv, 2, 2016
2GWE
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Crystal structure of D(G4T4G4) with six quadruplexes in the asymmetric unit.
分子名称: 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', POTASSIUM ION
著者Lee, M.P.H, Haider, S, Parkinson, G.N, Neidle, S.
登録日2006-05-04
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of D(G4T4G4) with four and six quadruplexes in the asymmetric unit.
To be Published
5KTU
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Crystal structure of the bromodomain of human CREBBP bound to pyrazolopiperidine scaffold
分子名称: 1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone, CREB-binding protein, DIMETHYL SULFOXIDE
著者Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F.
登録日2016-07-12
公開日2016-11-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
5L3G
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LSD1-CoREST1 in complex with polymyxin E (colistin)
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1, ...
著者Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A.
登録日2016-04-10
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features.
Sci Adv, 2, 2016
7SI5
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CRYSTAL STRUCTURE OF EED WITH MRTX-1919
分子名称: (4R)-8-(1,3-dimethyl-1H-pyrazol-5-yl)-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile, 1,2-ETHANEDIOL, FORMIC ACID, ...
著者Gunn, R.J, Burns, A.C, Lawson, J.D, Marx, M.A.
登録日2021-10-12
公開日2022-11-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献CRYSTAL STRUCTURE OF EED WITH MRTX-1919
TO BE PUBLISHED
7SI4
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CRYSTAL STRUCTURE OF EED WITH MRTX-2219
分子名称: (4S)-8-{4-[(dimethylamino)methyl]-2-methylphenyl}-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile, FORMIC ACID, Polycomb protein EED
著者Gunn, R.J, Burns, A.C, Lawson, J.D, Marx, M.A.
登録日2021-10-12
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献CRYSTAL STRUCTURE OF EED WITH MRTX-2219
TO BE PUBLISHED
3VUW
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BU of 3vuw by Molmil
Crystal structure of A20 ZF7 in complex with linear ubiquitin, form I
分子名称: POTASSIUM ION, Polyubiquitin-C, Tumor necrosis factor alpha-induced protein 3, ...
著者Nishimasu, H, Ishitani, R, Nureki, O.
登録日2012-07-09
公開日2013-02-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Specific recognition of linear polyubiquitin by A20 zinc finger 7 is involved in NF-kappaB regulation
Embo J., 31, 2012
5A5Q
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Crystal structure of human ATAD2 bromodomain in complex with 3-methyl- 8-piperidin-4-ylamino-1,2-dihydro-1,7-naphthyridin-2-one hydrochloride
分子名称: 1,2-ETHANEDIOL, 3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ...
著者Chung, C, Bamborough, P, Demont, E.
登録日2015-06-20
公開日2015-07-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
4ZRR
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BU of 4zrr by Molmil
Crystal Structure of Monomeric Bacteriophytochrome mutant D207L Y263F at 1.5 A resolution Using a home source.
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, 3-[2-[(Z)-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Bacteriophytochrome, ...
著者Bhattacharya, S, Satyshur, K.A, Lehtivuori, H, Forest, K.T.
登録日2015-05-12
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Removal of Chromophore-Proximal Polar Atoms Decreases Water Content and Increases Fluorescence in a Near Infrared Phytofluor.
Front Mol Biosci, 2, 2015
5J0D
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BU of 5j0d by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with a benzoxazepine compound
分子名称: 1,2-ETHANEDIOL, 7-(3,5-dimethoxyphenyl)-N-[(3S)-1-methylpiperidin-3-yl]-4-propanoyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide, CREB-binding protein
著者Tallant, C, Popp, T.A, Fedorov, O, Siejka, P, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-03-28
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Development of Selective CBP/P300 Benzoxazepine Bromodomain Inhibitors.
J.Med.Chem., 59, 2016
2XUJ
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BU of 2xuj by Molmil
CRYSTAL STRUCTURE OF MACHE-Y337A-TZ2PA6 SYN COMPLEX (1 MTH)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE, ...
著者Bourne, Y, Radic, Z, Taylor, P, Marchot, P.
登録日2010-10-19
公開日2010-12-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State
J.Am.Chem.Soc., 132, 2010
5A82
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Crystal structure of human ATAD2 bromodomain in complex with 4-(3R,4R) -4-(3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)aminopiperidin-3- yloxymethyl)-1-thiane-1,1-dione
分子名称: 1,2-ETHANEDIOL, 8-[[(3R,4R)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ...
著者Chung, C, Bamborough, P, Demont, E.
登録日2015-07-11
公開日2015-08-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure-Based Optimization of Naphthyridones Into Potent Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5JHP
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Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal topless domain (1-209) L179A and I195A mutant in complex with rice D53 repressor EAR peptide motif
分子名称: Protein TPR1, The rice D53 EAR peptide (794-808)
著者Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
登録日2016-04-21
公開日2017-07-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献A D53 repression motif induces oligomerization of TOPLESS corepressors and promotes assembly of a corepressor-nucleosome complex.
Sci Adv, 3, 2017
5LBR
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Wild-type PAS-GAF fragment from Deinococcus radiodurans Bphp collected at SACLA
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, Bacteriophytochrome
著者Edlund, P, Claesson, E, Nakane, T, Takala, H, Dods, R, Schmidt, M, Westenhoff, S.
登録日2016-06-17
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography.
Sci Rep, 6, 2016
5LBQ
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LSD1-CoREST1 in complex with quinazoline-derivative reversible inhibitor
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, N2-(3-(dimethylamino)propyl)-6,7-dimethoxy-N4,N4-dimethylquinazoline-2,4-diamine, ...
著者Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A.
登録日2016-06-16
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features.
Sci Adv, 2, 2016
5L3X
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Crystal structure of negative elongation factor subcomplex NELF-AC
分子名称: CHLORIDE ION, Negative elongation factor A, Negative elongation factor C/D
著者Poellmann, D, Vos, S.M, Cramer, P.
登録日2016-05-24
公開日2016-06-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Architecture and RNA binding of the human negative elongation factor.
Elife, 5, 2016
4X9C
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1.4A crystal structure of Hfq from Methanococcus jannaschii
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Nikulin, A.D, Tishchenko, S.V, Nikonova, S.V, Murina, V.N, Mihailina, A.O, Lekontseva, N.V.
登録日2014-12-11
公開日2014-12-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Characterization of RNA-binding properties of the archaeal Hfq-like protein from Methanococcus jannaschii.
J. Biomol. Struct. Dyn., 35, 2017
5L8M
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Wild-type PAS-GAF fragment from Deinococcus radiodurans Bphp collected at LCLS
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, Bacteriophytochrome
著者Claesson, E, Takala, H, Edlund, P, Henry, L, Dods, R, Schmidt, M, Westenhoff, S.
登録日2016-06-08
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography.
Sci Rep, 6, 2016
4WV4
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Heterodimer of TAF8/TAF10
分子名称: CHLORIDE ION, GLYCEROL, Transcription initiation factor TFIID subunit 10, ...
著者Trowitzsch, S.
登録日2014-11-04
公開日2015-01-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.909 Å)
主引用文献Cytoplasmic TAF2-TAF8-TAF10 complex provides evidence for nuclear holo-TFIID assembly from preformed submodules.
Nat Commun, 6, 2015
5LGT
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Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 15
分子名称: 4-methyl-~{N}-[2-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ...
著者Mattevi, A, Ciossani, G.
登録日2016-07-08
公開日2017-02-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship.
J. Med. Chem., 60, 2017
3R5M
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Crystal structure of RXRalphaLBD complexed with the agonist magnolol
分子名称: 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Zhang, H, Chen, L, Chen, J, Hu, L, Jiang, H, Shen, X.
登録日2011-03-18
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Molecular determinants of magnolol targeting both RXR(alpha) and PPAR(gamma).
Plos One, 6, 2011

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