PDB: 5425 件ウェブページステータス検索Chemie searchBIRD

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6UVJ	Cocrystal of BRD4(D1) with a methyl carbamate thiazepane inhibitor 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... 著者 Johnson, J.A, Pomerantz, W.C.K. 登録日 2019-11-02 公開日 2020-01-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 Evaluating the Advantages of Using 3D-Enriched Fragments for Targeting BET Bromodomains. Acs Med.Chem.Lett., 10, 2019
6V16	Crystal structure of the bromodomain of human BRD7 bound to TP472 分子名称: 1,2-ETHANEDIOL, 3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide, Bromodomain-containing protein 7, ... 著者 Karim, M.R, Chan, A, Schonbrunn, E. 登録日 2019-11-19 公開日 2020-03-11 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
6V1H	Crystal structure of the bromodomain of human BRD7 bound to bromosporine 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 7, Bromosporine 著者 Chan, A, Karim, M.R, Schonbrunn, E. 登録日 2019-11-20 公開日 2020-03-11 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
6V1L	Crystal structure of the first bromodomain (BD1) of human BRD4 bound to BI9564 分子名称: 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, Bromodomain-containing protein 4 著者 Chan, A, Karim, M.R, Schonbrunn, E. 登録日 2019-11-20 公開日 2020-03-11 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
6UWX	Cocrystal of BRD4(D1) with a ethyl carbamate thiazepane inhibitor 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ethyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate 著者 Johnson, J.A, Pomerantz, W.C.K. 登録日 2019-11-05 公開日 2020-01-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.307 Å) 主引用文献 Evaluating the Advantages of Using 3D-Enriched Fragments for Targeting BET Bromodomains. Acs Med.Chem.Lett., 10, 2019
6VGD	Crystal structure of the DNA binding domain (DBD) of human FLI1 and the complex of the DBD of human Runx2 with core binding factor beta (Cbfb), in complex with 16mer DNA CAGAGGATGTGGCTTC 分子名称: Core-binding factor subunit beta, DNA (5'-D(P*CP*AP*GP*AP*GP*GP*AP*TP*GP*TP*GP*GP*CP*TP*TP*C)-3'), DNA (5'-D(P*GP*AP*AP*GP*CP*CP*AP*CP*AP*TP*CP*CP*TP*CP*TP*G)-3'), ... 著者 Hou, C, Tsodikov, O.V. 登録日 2020-01-07 公開日 2020-11-25 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (4.2 Å) 主引用文献 Allosteric interference in oncogenic FLI1 and ERG transactions by mithramycins. Structure, 29, 2021
6UOZ	Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction 分子名称: 5-bromo-3-chloro-N-[1-cyclopentyl-2-(methylsulfonyl)-1H-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide, WD repeat domain 5 著者 Zhao, B. 登録日 2019-10-16 公開日 2020-04-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.532 Å) 主引用文献 Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020
6UWU	Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZL0516 分子名称: 1,2-ETHANEDIOL, 2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one, Bromodomain-containing protein 4 著者 Leonard, P.G, Joseph, S. 登録日 2019-11-05 公開日 2020-04-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation. J.Med.Chem., 63, 2020
6V1E	Crystal structure of the bromodomain of human BRD7 bound to BI7273 分子名称: 1,2-ETHANEDIOL, 4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, Bromodomain-containing protein 7 著者 Chan, A, Karim, M.R, Schonbrunn, E. 登録日 2019-11-20 公開日 2020-03-11 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
6VA5	Tudor Domain of Tumor suppressor p53BP1 with MFP-4184 分子名称: 2-(4-methylpiperazin-1-yl)aniline, GLYCEROL, SULFATE ION, ... 著者 Zeng, H, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) 登録日 2019-12-16 公開日 2020-04-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.28 Å) 主引用文献 Tudor Domain of Tumor suppressor p53BP1 with MFP-4184 to be published
6V1U	Crystal structure of the first bromodomain (BD1) of human BRD4 bound to TP-472 分子名称: 1,2-ETHANEDIOL, 3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide, Bromodomain-containing protein 4 著者 Chan, A, Karim, M.R, Schonbrunn, E. 登録日 2019-11-21 公開日 2020-03-11 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
6VAO	Human cofilin-1 decorated actin filament 分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... 著者 Huehn, A.R, Bibeau, J.P, Schramm, A.C, Cao, W, De La Cruz, E.M, Sindelar, C.V. 登録日 2019-12-17 公開日 2020-01-08 最終更新日 2024-03-06 実験手法 ELECTRON MICROSCOPY (3.4 Å) 主引用文献 Structures of cofilin-induced structural changes reveal local and asymmetric perturbations of actin filaments. Proc.Natl.Acad.Sci.USA, 117, 2020
6VGE	Crystal structure of the DNA binding domains of human transcription factor ERG, human Runx2 bound to core binding factor beta (Cbfb), in complex with 16mer DNA CAGAGGATGTGGCTTC 分子名称: Core-binding factor subunit beta, DNA (5'-D(P*CP*AP*GP*AP*GP*GP*AP*TP*GP*TP*GP*GP*CP*TP*TP*C)-3'), DNA (5'-D(P*GP*AP*AP*GP*CP*CP*AP*CP*AP*TP*CP*CP*TP*CP*TP*G)-3'), ... 著者 Hou, C, Tsodikov, O.V. 登録日 2020-01-07 公開日 2020-11-25 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (4.25 Å) 主引用文献 Allosteric interference in oncogenic FLI1 and ERG transactions by mithramycins. Structure, 29, 2021
6VGG	Crystal structure of the DNA binding domains of human transcription factor ERG, human Runx2 bound to core binding factor beta (Cbfb), and mithramycin, in complex with 16mer DNA CAGAGGATGTGGCTTC 分子名称: Core-binding factor subunit beta, DNA (5'-D(P*CP*AP*GP*AP*GP*GP*AP*TP*GP*TP*GP*GP*CP*TP*TP*C)-3'), DNA (5'-D(P*GP*AP*AP*GP*CP*CP*AP*CP*AP*TP*CP*CP*TP*CP*TP*G)-3'), ... 著者 Hou, C, Rohr, J, Tsodikov, O.V. 登録日 2020-01-08 公開日 2020-11-25 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (4.31 Å) 主引用文献 Allosteric interference in oncogenic FLI1 and ERG transactions by mithramycins. Structure, 29, 2021
6VED	Solution structure of the TTD and linker region of UHRF1 分子名称: E3 ubiquitin-protein ligase UHRF1 著者 Lemak, A, Houliston, S, Duan, S, Ong, M.S, Arrowsmith, C.H. 登録日 2019-12-31 公開日 2020-06-17 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Alternative splicing and allosteric regulation modulate the chromatin binding of UHRF1. Nucleic Acids Res., 48, 2020
6VIZ	BRD4_Bromodomain1 complex with pyrrolopyridone compound 27 分子名称: 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4 著者 Longenecker, K.L, Park, C.H, Qiu, W. 登録日 2020-01-14 公開日 2020-05-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.391 Å) 主引用文献 Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J.Med.Chem., 63, 2020
6VPG	TPX2 residues 7-20 fused to Aurora A residues 116-389 in complex with AMP-PNP 分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... 著者 Lim, D.C, Yaffe, M.B. 登録日 2020-02-03 公開日 2020-08-05 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.64 Å) 主引用文献 Redox priming promotes Aurora A activation during mitosis. Sci.Signal., 13, 2020
6VPM	TPX2 residues 7-20 fused to Aurora A residues 116-389 with C290 disulfide bonded to compound 8-34, and in complex with AMP-PNP 分子名称: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, MALONIC ACID, ... 著者 Lim, D.C, Yaffe, M.B. 登録日 2020-02-03 公開日 2020-08-05 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Redox priming promotes Aurora A activation during mitosis. Sci.Signal., 13, 2020
6VKQ	Crystal Structure of human PARP-1 CAT domain bound to inhibitor EB-47 分子名称: 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Poly [ADP-ribose] polymerase 1, SULFATE ION 著者 Steffen, J.D, Pascal, J.M. 登録日 2020-01-21 公開日 2020-06-17 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structural basis for allosteric PARP-1 retention on DNA breaks. Science, 368, 2020
6VKK	Crystal Structure of human PARP-1 CAT domain bound to inhibitor rucaparib 分子名称: GLYCEROL, Poly [ADP-ribose] polymerase 1, Rucaparib, ... 著者 Steffen, J.D, Pascal, J.M. 登録日 2020-01-21 公開日 2020-06-17 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural basis for allosteric PARP-1 retention on DNA breaks. Science, 368, 2020
6VPI	TPX2 residues 7-20 fused to Aurora A residues 116-389 C247V + D256N + C319V triple mutant disulfide homodimer in complex with AMP-PNP 分子名称: MAGNESIUM ION, MALONIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... 著者 Lim, D.C, Yaffe, M.B. 登録日 2020-02-03 公開日 2020-08-05 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Redox priming promotes Aurora A activation during mitosis. Sci.Signal., 13, 2020
6VZH	Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to LDSM311 分子名称: (7~{R})-2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7-dimethyl-8-prop-2-ynyl-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, SULFATE ION, ... 著者 dos Reis, C.V, Dutra, L.A, Gama, F, Ferreira, M, Mascarello, A, Azevedo, H, Guimaraes, C, Massirer, K.B, Arruda, P, Edwards, A.M, Counago, R.M, Structural Genomics Consortium (SGC) 登録日 2020-02-28 公開日 2020-03-11 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to LDSM311 To be Published
6W4K	Crystal structure of Lysine Specific Demethylase 1 (LSD1) with CC-90011 分子名称: 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... 著者 Hosfield, D.J. 登録日 2020-03-11 公開日 2020-10-21 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.93 Å) 主引用文献 Discovery of CC-90011: A Potent and Selective Reversible Inhibitor of Lysine Specific Demethylase 1 (LSD1). J.Med.Chem., 63, 2020
6VIP	TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-6008 分子名称: TP53-binding protein 1, UNKNOWN ATOM OR ION, {4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone 著者 The, J, Hong, Z, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) 登録日 2020-01-13 公開日 2020-02-12 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.36 Å) 主引用文献 TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-6008 to be published
6VUB	Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 5 (1-methyl-4-phenylpyrrolidin-2-one) 分子名称: (4R)-1-methyl-4-phenylpyrrolidin-2-one, Bromodomain-containing protein 4 著者 Ilyichova, O.V, Scanlon, M.J, Thompson, P.E. 登録日 2020-02-14 公開日 2020-02-26 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Substituted 1-methyl-4-phenylpyrrolidin-2-ones - Fragment-based design of N-methylpyrrolidone-derived bromodomain inhibitors. Eur.J.Med.Chem., 191, 2020

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