6OAK
| Structure of human PARG complexed with JA2131 | 分子名称: | (8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one, Poly(ADP-ribose) glycohydrolase | 著者 | Brosey, C.A, Ahmed, Z, Warden, S, Tainer, J.A. | 登録日 | 2019-03-16 | 公開日 | 2020-03-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
|
|
8EKD
| |
2IQC
| Crystal structure of Human FancF Protein that Functions in the Assembly of a DNA Damage Signaling Complex | 分子名称: | Fanconi anemia group F protein, MERCURY (II) ION | 著者 | Kowal, P, Gurtan, A.M, Stuckert, P, Lehmann, C, D'Andrea, A, Ellenberger, T.E. | 登録日 | 2006-10-13 | 公開日 | 2006-11-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural determinants of human FANCF protein that function in the assembly of a DNA damage signaling complex. J.Biol.Chem., 282, 2007
|
|
6TJ4
| |
6QTG
| Crystal structure of human CDK8/CYCC in complex with BI-1347 | 分子名称: | 2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{N},~{N}-dimethyl-ethanamide, Cyclin-C, Cyclin-dependent kinase 8 | 著者 | Boettcher, J. | 登録日 | 2019-02-25 | 公開日 | 2020-03-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance. Mol.Cancer Ther., 19, 2020
|
|
7PCD
| HER2 IN COMPLEX WITH A COVALENT INHIBITOR | 分子名称: | 1-[4-[4-[[3,5-bis(chloranyl)-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]amino]pyrimido[5,4-d]pyrimidin-6-yl]piperazin-1-yl]-4-(3-fluoranylazetidin-1-yl)butan-1-one, Receptor tyrosine-protein kinase erbB-2 | 著者 | Bader, G. | 登録日 | 2021-08-03 | 公開日 | 2022-07-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Discovery of potent and selective HER2 inhibitors with efficacy against HER2 exon 20 insertion-driven tumors, which preserve wild-type EGFR signaling. Nat Cancer, 3, 2022
|
|
6BA6
| |
6TJ3
| |
6R3S
| CRYSTAL STRUCTURE OF CDK8-CycC IN COMPLEX WITH COMPOUND 1 | 分子名称: | 1,2-ETHANEDIOL, 6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide, Cyclin-C, ... | 著者 | Boettcher, J. | 登録日 | 2019-03-21 | 公開日 | 2020-04-08 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance. Mol.Cancer Ther., 19, 2020
|
|
5F2P
| Crystal structure of the BRD9 bromodomain in complex with compound 3. | 分子名称: | 2-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one, BRD9 | 著者 | Nar, H, Fiegen, D, Zoephel, A, Bader, G. | 登録日 | 2015-12-02 | 公開日 | 2016-03-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J.Med.Chem., 59, 2016
|
|
5F25
| Crystal structure of the BRD9 bromodomain in complex with compound 4. | 分子名称: | 4-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)benzamide, BRD9 | 著者 | Bader, G, Martin, L.J, Steurer, S, Weiss-Puxbaum, A, Zoephel, A. | 登録日 | 2015-12-01 | 公開日 | 2016-03-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J.Med.Chem., 59, 2016
|
|
5F1H
| Crystal structure of the BRD9 bromodamian in complex with BI-9564. | 分子名称: | 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, Bromodomain-containing protein 9 | 著者 | Bader, G, Martin, L.J, Steurer, S, Weiss-Puxbaum, A, Zoephel, A. | 登録日 | 2015-11-30 | 公開日 | 2016-03-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J.Med.Chem., 59, 2016
|
|
5F1L
| Crystal structure of the bromodomain of BRD9 in complex with compound 9. | 分子名称: | 5-[3,5-dimethoxy-4-[(3-oxidanylazetidin-1-yl)methyl]phenyl]-1,3-dimethyl-pyridin-2-one, Bromodomain-containing protein 9 | 著者 | Bader, G, Martin, L.J, Steurer, S, Weiss-Puxbaum, A, Zoephel, A. | 登録日 | 2015-11-30 | 公開日 | 2016-03-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J.Med.Chem., 59, 2016
|
|
6ZN3
| |
5EU1
| CRYSTAL STRUCTURE OF BRD9 IN COMPLEX WITH BI-7273 | 分子名称: | 4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, BRD9 | 著者 | Bader, G, Martin, L.M, Steurer, S, Weiss-Puxbaum, A, Zoephel, A. | 登録日 | 2015-11-18 | 公開日 | 2016-03-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J.Med.Chem., 59, 2016
|
|
3MCY
| |
3M7N
| |
3M85
| |
6HL7
| Crystal structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with mutated active site (R109A/K138A) and N-carbamoyl-L-phosphate bound | 分子名称: | Aspartate transcarbamoylase, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER | 著者 | Bosch, S.S, Lunev, S, Wrenger, C, Groves, M.R. | 登録日 | 2018-09-10 | 公開日 | 2018-09-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Molecular Target Validation of Aspartate Transcarbamoylase fromPlasmodium falciparumby Torin 2. Acs Infect Dis., 6, 2020
|
|
8AG2
| Crystal structure of the BPTF bromodomain in complex with BI-7190 | 分子名称: | 5-[3-methoxy-4-[1-(4-methylpiperazin-1-yl)cyclopropyl]phenyl]-1,3,4-trimethyl-pyridin-2-one, Nucleosome-remodeling factor subunit BPTF | 著者 | Bader, G, Boettcher, J, Wolkerstorfer, B. | 登録日 | 2022-07-19 | 公開日 | 2022-08-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.025 Å) | 主引用文献 | Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments. Chemmedchem, 18, 2023
|
|
7Z6L
| Crystal structure of PROTAC 5 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | 分子名称: | (2~{S},4~{R})-~{N}-[[2-[3-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Roy, M.J, Bader, G, Farnaby, W, Ciulli, A. | 登録日 | 2022-03-12 | 公開日 | 2022-09-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo. Nat Commun, 13, 2022
|
|
7Z77
| Crystal structure of compound 6 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | 分子名称: | (2~{S},4~{R})-~{N}-[(1~{S})-4-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Bader, G, Boettcher, J, Wolkerstorfer, B. | 登録日 | 2022-03-15 | 公開日 | 2022-09-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo. Nat Commun, 13, 2022
|
|
7Z76
| Crystal structure of compound 10 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | 分子名称: | (2~{S},4~{R})-~{N}-[(1~{R})-2-[(2~{R})-1-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propan-2-yl]oxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{S})-2-[[1-(dimethylamino)cyclopropyl]carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Bader, G, Boettcher, J, Wolkerstorfer, B. | 登録日 | 2022-03-15 | 公開日 | 2022-09-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo. Nat Commun, 13, 2022
|
|
7Z78
| Crystal structure of compound 4 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | 分子名称: | 4-bromanyl-7-cyclopentyl-9-piperidin-4-yl-benzimidazolo[1,2-a]quinazolin-5-one, Probable global transcription activator SNF2L2, ZINC ION | 著者 | Bader, G, Boettcher, J, Wolkerstorfer, B. | 登録日 | 2022-03-15 | 公開日 | 2022-09-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo. Nat Commun, 13, 2022
|
|
8AHC
| Crystal structure of the BRD9 bromodomain with BI-7189 | 分子名称: | Bromodomain-containing protein 9, [2,6-dimethoxy-4-(1,2,5-trimethyl-6-oxidanylidene-pyridin-3-yl)phenyl]methyl-dimethyl-azanium | 著者 | Bader, G, Boettcher, J, Weiss-Puxbaum, A. | 登録日 | 2022-07-21 | 公開日 | 2023-06-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.504 Å) | 主引用文献 | Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments. Chemmedchem, 18, 2023
|
|