PDB: 5434 件ウェブページステータス検索Chemie searchBIRD

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6B1G	Solution structure of TDP-43 N-terminal domain dimer. 分子名称: TAR DNA-binding protein 43, S48E Mutant, Y4R Mutant 著者 Naik, M.T, Wang, A, Conicella, A, Fawzi, N.L. 登録日 2017-09-18 公開日 2018-02-28 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 A single N-terminal phosphomimic disrupts TDP-43 polymerization, phase separation, and RNA splicing. EMBO J., 37, 2018
6BB3	Lactate Dehydrogenase in complex with inhibitor 3-((2-chlorophenyl)thio)-6-(6-((4-fluorophenyl)amino)pyridin-2-yl)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one 分子名称: (6R)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... 著者 Chen, Z, Eigenbrot, C. 登録日 2017-10-16 公開日 2018-10-24 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase To Be Published
6BCR	Complex of 14-3-3 theta with an IRSp53 peptide phosphorylated at T340 分子名称: 1,2-ETHANEDIOL, 14-3-3 protein theta, DI(HYDROXYETHYL)ETHER, ... 著者 Kast, D.J, Dominguez, R. 登録日 2017-10-20 公開日 2018-10-24 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.986 Å) 主引用文献 Mechanism of IRSp53 inhibition by 14-3-3. Nat Commun, 10, 2019
6B0T	Structural Insights into the Induced-fit Inhibition of Fascin by a Small Molecule 分子名称: 4-methyl-N-(1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indazol-3-yl)-1,2-oxazole-5-carboxamide, Fascin 著者 Dey, R, Huang, X.Y. 登録日 2017-09-15 公開日 2018-04-18 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structural Insights into the Induced-fit Inhibition of Fascin by a Small-Molecule Inhibitor. J. Mol. Biol., 430, 2018
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
6BB1	Lactate Dehydrogenase in complex with inhibitor (R)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one 分子名称: (2R)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, L-lactate dehydrogenase A chain, LACTIC ACID, ... 著者 Ultsch, M, Eigenbrot, C. 登録日 2017-10-16 公開日 2018-10-24 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase To Be Published
6BB2	Lactate Dehydrogenase in complex with inhibitor (S)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one 分子名称: (2S)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, L-lactate dehydrogenase A chain, LACTIC ACID, ... 著者 Ultsch, M, Eigenbrot, C. 登録日 2017-10-16 公開日 2018-10-24 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.47 Å) 主引用文献 Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase To Be Published
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
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
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
6UVM	Cocrystal of BRD4(D1) with a methyl carbamate thiazepane inhibitor 分子名称: 1,2-ETHANEDIOL, 1-[(7S)-7-(thiophen-2-yl)-6,7-dihydro-1,4-thiazepin-4(5H)-yl]ethan-1-one, Bromodomain-containing protein 4 著者 Johnson, J.A, Pomerantz, W.C.K. 登録日 2019-11-03 公開日 2020-01-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 Evaluating the Advantages of Using 3D-Enriched Fragments for Targeting BET Bromodomains. Acs Med.Chem.Lett., 10, 2019
6BD2	Complex of 14-3-3 theta with an IRSp53 peptide doubly-phosphorylated at T340 and S366 分子名称: 1,2-ETHANEDIOL, 14-3-3 protein theta, DI(HYDROXYETHYL)ETHER, ... 著者 Kast, D.J, Dominguez, R. 登録日 2017-10-20 公開日 2018-10-24 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Mechanism of IRSp53 inhibition by 14-3-3. Nat Commun, 10, 2019
6BAG	Lactate Dehydrogenase in complex with inhibitor (R)-5-((2-chlorophenyl)thio)-6'-((4-fluorophenyl)amino)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one 分子名称: (2R)-5-[(2-chlorophenyl)sulfanyl]-6'-[(4-fluorophenyl)amino]-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ... 著者 Ultsch, M, Eigenbrot, C. 登録日 2017-10-12 公開日 2018-10-17 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase To Be Published
6BB0	Lactate Dehydrogenase in complex with inhibitor (R)-3-((2-chlorophenyl)thio)-6-(3-((4-fluorophenyl)amino)phenyl)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one 分子名称: (6S)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(2-hydroxyphenyl)-6-phenyl-5,6-dihydro-2H-pyran-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ... 著者 Ultsch, M, Eigenbrot, C. 登録日 2017-10-16 公開日 2018-10-24 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase To Be Published
6V0U	Crystal structure of the first bromodomain (BD1) of human BRD4 bound to bromosporine 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Bromosporine 著者 Chan, A, Karim, M.R, 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 (1.4 Å) 主引用文献 Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
6V1F	Crystal structure of the bromodomain of human BRD7 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 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 Å) 主引用文献 Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
6V17	Crystal structure of the bromodomain of human BRD7 bound to I-BRD9 分子名称: Bromodomain-containing protein 7, CHLORIDE ION, N'-[1,1-bis(oxidanylidene)thian-4-yl]-5-ethyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide 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 (2.05 Å) 主引用文献 Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
6BAZ	Lactate Dehydrogenase in complex with inhibitor (S)-5-((2-chlorophenyl)thio)-6'-((4-fluorophenyl)amino)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one 分子名称: (3S,6S)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-6-(thiophen-3-yl)piperidine-2,4-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ... 著者 Ultsch, M, Eigenbrot, C. 登録日 2017-10-16 公開日 2018-10-24 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase To Be Published

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