8PQN
| NQO1 bound to RBS-10 | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, ~{N}-[4-[(3-methylphenyl)carbonylamino]phenyl]-5-nitro-furan-2-carboxamide | 著者 | Pous, J, Jose-Duran, F, Mayor-Ruiz, C, Riera, A. | 登録日 | 2023-07-11 | 公開日 | 2024-01-10 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | 主引用文献 | Discovery and Mechanistic Elucidation of NQO1-Bioactivatable Small Molecules That Overcome Resistance to Degraders. Angew.Chem.Int.Ed.Engl., 63, 2024
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7PVU
| Crystal structure of p38alpha C162S in complex with CAS2094511-69-8, P 1 21 1 | 分子名称: | Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)-2-fluorobenzene-1-sulfonamide | 著者 | Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R. | 登録日 | 2021-10-05 | 公開日 | 2023-05-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.154 Å) | 主引用文献 | Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway. Nat Commun, 14, 2023
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7Z6I
| Crystal structure of p38alpha C162S in complex with SB20358 and CAS 2094667-81-7 (behind catalytic site; Y35 in), P 21 21 21 | 分子名称: | 4-[4-(4-fluorophenyl)-2-[4-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]-1~{H}-imidazol-5-yl]pyridine, Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide | 著者 | Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R. | 登録日 | 2022-03-11 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway. Nat Commun, 14, 2023
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7Z9T
| Crystal structure of p38alpha C162S in complex with ATPgS and CAS 2094667-81-7 (in catalytic site, Y35 out), P 1 21 1 | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide | 著者 | Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R. | 登録日 | 2022-03-21 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway. Nat Commun, 14, 2023
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8BU4
| Structure of DDB1 bound to DS22-engaged CDK12-cyclin K | 分子名称: | (2~{R})-2-[[6-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methylamino]-9-(1-methylpyrazol-4-yl)purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ... | 著者 | Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H. | 登録日 | 2022-11-30 | 公開日 | 2023-09-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (3.09 Å) | 主引用文献 | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUF
| Structure of DDB1 bound to Z12-engaged CDK12-cyclin K | 分子名称: | 2-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dimethoxy-3~{H}-quinazolin-4-one, Cyclin-K, Cyclin-dependent kinase 12, ... | 著者 | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | 登録日 | 2022-11-30 | 公開日 | 2023-09-13 | 最終更新日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUJ
| Structure of DDB1 bound to DS06-engaged CDK12-cyclin K | 分子名称: | (2~{R})-2-[[6-(octylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ... | 著者 | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | 登録日 | 2022-11-30 | 公開日 | 2023-09-13 | 最終更新日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (3.62 Å) | 主引用文献 | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BU1
| Structure of DDB1 bound to DS17-engaged CDK12-cyclin K | 分子名称: | (2~{R})-2-[[6-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methylamino]-9-(1-methylpyrazol-4-yl)purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ... | 著者 | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | 登録日 | 2022-11-30 | 公開日 | 2023-09-13 | 最終更新日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | 主引用文献 | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BU9
| Structure of DDB1 bound to roscovitine-engaged CDK12-cyclin K | 分子名称: | Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ... | 著者 | Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H. | 登録日 | 2022-11-30 | 公開日 | 2023-09-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (3.51 Å) | 主引用文献 | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUO
| Structure of DDB1 bound to DS24-engaged CDK12-cyclin K | 分子名称: | (2~{R})-2-[[6-[(3-fluoranyl-4-pyridin-2-yl-phenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ... | 著者 | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | 登録日 | 2022-11-30 | 公開日 | 2023-09-13 | 最終更新日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (3.58 Å) | 主引用文献 | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUP
| Structure of DDB1 bound to DS30-engaged CDK12-cyclin K | 分子名称: | (2~{R})-2-[[6-[3-(3-methylphenyl)propylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ... | 著者 | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | 登録日 | 2022-11-30 | 公開日 | 2023-09-13 | 最終更新日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (3.41 Å) | 主引用文献 | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BU6
| Structure of DDB1 bound to DS55-engaged CDK12-cyclin K | 分子名称: | Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ... | 著者 | Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H. | 登録日 | 2022-11-30 | 公開日 | 2023-09-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (3.45 Å) | 主引用文献 | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUK
| Structure of DDB1 bound to DS08-engaged CDK12-cyclin K | 分子名称: | (2~{R})-2-[[6-(naphthalen-2-ylmethylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, CITRIC ACID, Cyclin-K, ... | 著者 | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | 登録日 | 2022-11-30 | 公開日 | 2023-09-13 | 最終更新日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (3.41 Å) | 主引用文献 | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BU3
| Structure of DDB1 bound to DS19-engaged CDK12-cyclin K | 分子名称: | 1,2-ETHANEDIOL, 2-morpholin-4-yl-9-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine, Cyclin-K, ... | 著者 | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | 登録日 | 2022-11-30 | 公開日 | 2023-09-13 | 最終更新日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (3.42 Å) | 主引用文献 | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUB
| Structure of DDB1 bound to dCeMM4-engaged CDK12-cyclin K | 分子名称: | CITRIC ACID, Cyclin-K, Cyclin-dependent kinase 12, ... | 著者 | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | 登録日 | 2022-11-30 | 公開日 | 2023-09-13 | 最終更新日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (3.42 Å) | 主引用文献 | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUQ
| Structure of DDB1 bound to DS43-engaged CDK12-cyclin K | 分子名称: | (2~{R})-2-[[6-[[1-(3-chlorophenyl)pyrazol-3-yl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, CITRIC ACID, Cyclin-K, ... | 著者 | Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H. | 登録日 | 2022-11-30 | 公開日 | 2023-09-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUL
| Structure of DDB1 bound to DS11-engaged CDK12-cyclin K | 分子名称: | (2~{R})-2-[[6-(3-phenylpropylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, 1,2-ETHANEDIOL, Cyclin-K, ... | 著者 | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | 登録日 | 2022-11-30 | 公開日 | 2023-09-13 | 最終更新日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BU5
| Structure of DDB1 bound to SR-4835-engaged CDK12-cyclin K | 分子名称: | CITRIC ACID, Cyclin-K, Cyclin-dependent kinase 12, ... | 著者 | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | 登録日 | 2022-11-30 | 公開日 | 2023-09-13 | 最終更新日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (3.134 Å) | 主引用文献 | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUS
| Structure of DDB1 bound to DS59-engaged CDK12-cyclin K | 分子名称: | 1,3-dimethyl-5-[[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]methyl]pyrazole-4-sulfonamide, Cyclin-K, Cyclin-dependent kinase 12, ... | 著者 | Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H. | 登録日 | 2022-11-30 | 公開日 | 2023-09-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (3.26 Å) | 主引用文献 | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUH
| Structure of DDB1 bound to WX3-engaged CDK12-cyclin K | 分子名称: | 6-[[[2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-9-propan-2-yl-purin-6-yl]amino]methyl]-3-pyridin-2-yl-1~{H}-pyridin-2-one, Cyclin-K, Cyclin-dependent kinase 12, ... | 著者 | Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H. | 登録日 | 2022-11-30 | 公開日 | 2023-09-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (3.79 Å) | 主引用文献 | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUC
| Structure of DDB1 bound to dCeMM3-engaged CDK12-cyclin K | 分子名称: | 2-(1~{H}-benzimidazol-2-ylsulfanyl)-~{N}-(5-chloranylpyridin-2-yl)ethanamide, CITRIC ACID, Cyclin-K, ... | 著者 | Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H. | 登録日 | 2022-11-30 | 公開日 | 2023-09-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (3.85 Å) | 主引用文献 | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUT
| Structure of DDB1 bound to DS61-engaged CDK12-cyclin K | 分子名称: | 2-[[6-[[4-(2-hydroxyethyloxy)phenyl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ... | 著者 | Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H. | 登録日 | 2022-11-30 | 公開日 | 2023-09-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUD
| Structure of DDB1 bound to Z7-engaged CDK12-cyclin K | 分子名称: | Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ... | 著者 | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | 登録日 | 2022-11-30 | 公開日 | 2023-09-13 | 最終更新日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUE
| Structure of DDB1 bound to Z11-engaged CDK12-cyclin K | 分子名称: | Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ... | 著者 | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | 登録日 | 2022-11-30 | 公開日 | 2023-09-13 | 最終更新日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUG
| Structure of DDB1 bound to HQ461-engaged CDK12-cyclin K | 分子名称: | 2-[2-[(6-methylpyridin-2-yl)amino]-1,3-thiazol-4-yl]-~{N}-(5-methyl-1,3-thiazol-2-yl)ethanamide, CITRIC ACID, Cyclin-K, ... | 著者 | Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H. | 登録日 | 2022-11-30 | 公開日 | 2023-09-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (3.53 Å) | 主引用文献 | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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