7BT6
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7BTB
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5LMA
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9EYU
| Human PRMT5 in complex with AZ compound 1 | 分子名称: | (1~{S})-2-[(2-carbamimidamido-1,3-thiazol-5-yl)methyl]-~{N}-[(4-fluorophenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-1-carboxamide, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ... | 著者 | Debreczeni, J. | 登録日 | 2024-04-09 | 公開日 | 2024-08-14 | 最終更新日 | 2024-09-04 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity. J.Med.Chem., 67, 2024
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9EYV
| Human PRMT5 in complex with AZ compound 12 | 分子名称: | (1~{S})-~{N}-[(4-fluorophenyl)methyl]-3-oxidanylidene-2-(1~{H}-pyrrolo[3,2-b]pyridin-2-ylmethyl)-1~{H}-isoindole-1-carboxamide, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ... | 著者 | Debreczeni, J. | 登録日 | 2024-04-09 | 公開日 | 2024-08-14 | 最終更新日 | 2024-09-04 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity. J.Med.Chem., 67, 2024
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9EYW
| Human PRMT5 in complex with AZ compound 21 | 分子名称: | (3~{S})-2-[(5-azanyl-1~{H}-pyrrolo[3,2-b]pyridin-2-yl)methyl]-6-fluoranyl-1'-[(4-fluorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2'-dione, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ... | 著者 | Debreczeni, J. | 登録日 | 2024-04-09 | 公開日 | 2024-08-14 | 最終更新日 | 2024-09-04 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity. J.Med.Chem., 67, 2024
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9EYX
| Human PRMT5 in complex with AZ compound 28 | 分子名称: | (3~{S})-2-[(5-azanyl-6-fluoranyl-1~{H}-pyrrolo[3,2-b]pyridin-2-yl)methyl]-6-fluoranyl-1'-[(4-fluorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2'-dione, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ... | 著者 | Debreczeni, J. | 登録日 | 2024-04-09 | 公開日 | 2024-08-14 | 最終更新日 | 2024-09-04 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity. J.Med.Chem., 67, 2024
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6EW8
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6EW7
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6EW6
| Crystal structure of the BCL6 BTB domain in complex with anilinopyrimidine ligand | 分子名称: | B-cell lymphoma 6 protein, ~{N}2-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine | 著者 | Robb, G, Ferguson, A, Hargreaves, D. | 登録日 | 2017-11-03 | 公開日 | 2018-10-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Development of a Novel B-Cell Lymphoma 6 (BCL6) PROTAC To Provide Insight into Small Molecule Targeting of BCL6. ACS Chem. Biol., 13, 2018
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5LMB
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6HM6
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6HM7
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6ZOQ
| Oestrogen receptor ligand binding domain in complex with compound 16 | 分子名称: | Estrogen receptor, ~{N}-[4-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine | 著者 | Breed, J. | 登録日 | 2020-07-07 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J.Med.Chem., 63, 2020
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6ZOS
| Oestrogen receptor ligand binding domain in complex with compound 18 | 分子名称: | 6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine, Estrogen receptor | 著者 | Breed, J. | 登録日 | 2020-07-07 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J.Med.Chem., 63, 2020
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6ZOR
| Oestrogen receptor ligand binding domain in complex with compound 28 | 分子名称: | 6-[(6~{S},8~{R})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-(1-propylazetidin-3-yl)pyridin-3-amine, Estrogen receptor | 著者 | Breed, J. | 登録日 | 2020-07-07 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J.Med.Chem., 63, 2020
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2XUE
| CRYSTAL STRUCTURE OF JMJD3 | 分子名称: | 2-OXOGLUTARIC ACID, FE (III) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ... | 著者 | Chung, C, Rowland, P, Mosley, J, Thomas, P.J. | 登録日 | 2010-10-19 | 公開日 | 2011-12-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response Nature, 488, 2012
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6P94
| Human APE1 C65A AP-endonuclease product complex | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Whitaker, A.W, Stark, W.J, Freudenthal, B.D. | 登録日 | 2019-06-09 | 公開日 | 2020-01-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Functions of the major abasic endonuclease (APE1) in cell viability and genotoxin resistance. Mutagenesis, 35, 2020
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6P93
| Human APE1 K98A AP-endonuclease product complex | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Whitaker, A.W, Stark, W.J, Freudenthal, B.D. | 登録日 | 2019-06-09 | 公開日 | 2020-01-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Functions of the major abasic endonuclease (APE1) in cell viability and genotoxin resistance. Mutagenesis, 35, 2020
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6FS1
| MCL1 in complex with an indole acid ligand | 分子名称: | 1,2-ETHANEDIOL, 7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Kasmirski, S, Hargreaves, D. | 登録日 | 2018-02-18 | 公開日 | 2018-12-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia. Nat Commun, 9, 2018
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6FS2
| MCL1 in complex with indole acid ligand | 分子名称: | 7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Hargreaves, D. | 登録日 | 2018-02-18 | 公開日 | 2018-12-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia. Nat Commun, 9, 2018
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6FS0
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4X8C
| Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with GSK147 | 分子名称: | CALCIUM ION, Protein-arginine deiminase type-4, [(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-benzimidazol-5-yl}methanone | 著者 | Lewis, H.D, Bax, B.D, Chung, C.-W, Polyakova, O, Thorpe, J. | 登録日 | 2014-12-10 | 公開日 | 2015-01-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation. Nat.Chem.Biol., 11, 2015
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4X8G
| Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with GSK199 | 分子名称: | CALCIUM ION, Protein-arginine deiminase type-4, [(3R)-3-aminopiperidin-1-yl][2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1H-benzimidazol-5-yl]methanone | 著者 | Lewis, H.D, Bax, B.D, Chung, C.-W, Polyakova, O, Thorpe, J. | 登録日 | 2014-12-10 | 公開日 | 2015-01-28 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.29 Å) | 主引用文献 | Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation. Nat.Chem.Biol., 11, 2015
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4A9N
| N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-cyclopropyl-5-(3,5- dimethyl-1,2-oxazol-4-yl)-2-methylbenzene-1-sulfonamide | 分子名称: | 1,2-ETHANEDIOL, BROMODOMAIN CONTAINING 2, DIMETHYL SULFOXIDE, ... | 著者 | Chung, C, Bamborough, P. | 登録日 | 2011-11-26 | 公開日 | 2012-02-08 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Fragment-Based Discovery of Bromodomain Inhibitors Part 2: Optimization of Phenylisoxazole Sulfonamides. J.Med.Chem., 55, 2012
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