6W05
 
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6SZM
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2009 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine, AMMONIUM ION, ... | | Authors: | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | Deposit date: | 2019-10-02 | | Release date: | 2019-10-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Leveraging an Open Science Drug Discovery Model to Develop CNS-Penetrant ALK2 Inhibitors for the Treatment of Diffuse Intrinsic Pontine Glioma.
J.Med.Chem., 63, 2020
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7PG5
 | | Crystal Structure of PI3Kalpha | | Descriptor: | GLYCEROL, PHOSPHATE ION, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | Authors: | Gong, G, Pinotsis, N, Williams, R.L, Vanhaesebroeck, B. | | Deposit date: | 2021-08-13 | | Release date: | 2022-08-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.20029068 Å) | | Cite: | A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
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7PG6
 | | Crystal Structure of PI3Kalpha in complex with the inhibitor NVP-BYL719 | | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... | | Authors: | Gong, G, Pinotsis, N, Williams, R.L, Vanhaesebroeck, B. | | Deposit date: | 2021-08-13 | | Release date: | 2022-08-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.49943733 Å) | | Cite: | A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
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6Z0O
 | | Structure of Affimer-NP bound to Crimean-Congo Haemorrhagic Fever Virus Nucleocapsid Protein | | Descriptor: | Affimer-NP, Nucleocapsid | | Authors: | Alvarez-Rodriguez, B, Tiede, C, Trinh, C, Tomlinson, D, Edwards, T.A, Barr, J.N. | | Deposit date: | 2020-05-10 | | Release date: | 2020-05-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5974 Å) | | Cite: | Characterization and applications of a Crimean-Congo hemorrhagic fever virus nucleoprotein-specific Affimer: Inhibitory effects in viral replication and development of colorimetric diagnostic tests.
Plos Negl Trop Dis, 14, 2020
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5ZBH
 | | The Crystal Structure of Human Neuropeptide Y Y1 Receptor with BMS-193885 | | Descriptor: | Neuropeptide Y receptor type 1,T4 Lysozyme,Neuropeptide Y receptor type 1, dimethyl 4-{3-[({3-[4-(3-methoxyphenyl)piperidin-1-yl]propyl}carbamoyl)amino]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate | | Authors: | Yang, Z, Han, S, Zhao, Q, Wu, B. | | Deposit date: | 2018-02-11 | | Release date: | 2018-04-25 | | Last modified: | 2018-05-09 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis of ligand binding modes at the neuropeptide Y Y1receptor
Nature, 556, 2018
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5ZBQ
 | | The Crystal Structure of human neuropeptide Y Y1 receptor with UR-MK299 | | Descriptor: | Neuropeptide Y receptor type 1,T4 Lysozyme, N~2~-(diphenylacetyl)-N-[(4-hydroxyphenyl)methyl]-N~5~-(N'-{[2-(propanoylamino)ethyl]carbamoyl}carbamimidoyl)-D-ornithinamide | | Authors: | Yang, Z, Han, S, Zhao, Q, Wu, B. | | Deposit date: | 2018-02-12 | | Release date: | 2018-04-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of ligand binding modes at the neuropeptide Y Y1receptor
Nature, 556, 2018
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6ZXI
 | | Crystal Structure of the OXA-48 Carbapenem-Hydrolyzing Class D beta-Lactamase in Complex with the DBO inhibitor ANT3310 | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CARBON DIOXIDE, ... | | Authors: | Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S. | | Deposit date: | 2020-07-29 | | Release date: | 2021-08-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of ANT3310 , a Novel Broad-Spectrum Serine beta-Lactamase Inhibitor of the Diazabicyclooctane Class, Which Strongly Potentiates Meropenem Activity against Carbapenem-Resistant Enterobacterales and Acinetobacter baumannii.
J.Med.Chem., 63, 2020
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8BU4
 | | Structure of DDB1 bound to DS22-engaged CDK12-cyclin K | | Descriptor: | (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, ... | | Authors: | Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H. | | Deposit date: | 2022-11-30 | | Release date: | 2023-09-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | 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 | | Descriptor: | (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, ... | | Authors: | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | | Deposit date: | 2022-11-30 | | Release date: | 2023-09-13 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | 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 | | Descriptor: | (2~{R})-2-[[6-(octylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ... | | Authors: | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | | Deposit date: | 2022-11-30 | | Release date: | 2023-09-13 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (3.62 Å) | | Cite: | 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 | | Descriptor: | (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, ... | | Authors: | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | | Deposit date: | 2022-11-30 | | Release date: | 2023-09-13 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (3.58 Å) | | Cite: | 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 | | Descriptor: | Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ... | | Authors: | Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H. | | Deposit date: | 2022-11-30 | | Release date: | 2023-09-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.51 Å) | | Cite: | 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 | | Descriptor: | Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ... | | Authors: | Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H. | | Deposit date: | 2022-11-30 | | Release date: | 2023-09-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | 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 | | Descriptor: | (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, ... | | Authors: | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | | Deposit date: | 2022-11-30 | | Release date: | 2023-09-13 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (3.41 Å) | | Cite: | 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 | | Descriptor: | (2~{R})-2-[[6-(naphthalen-2-ylmethylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, CITRIC ACID, Cyclin-K, ... | | Authors: | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | | Deposit date: | 2022-11-30 | | Release date: | 2023-09-13 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (3.41 Å) | | Cite: | 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 | | Descriptor: | CITRIC ACID, Cyclin-K, Cyclin-dependent kinase 12, ... | | Authors: | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | | Deposit date: | 2022-11-30 | | Release date: | 2023-09-13 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (3.42 Å) | | Cite: | 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 | | Descriptor: | 1,2-ETHANEDIOL, 2-morpholin-4-yl-9-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine, Cyclin-K, ... | | Authors: | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | | Deposit date: | 2022-11-30 | | Release date: | 2023-09-13 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (3.42 Å) | | Cite: | 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 | | Descriptor: | (2~{R})-2-[[6-(3-phenylpropylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, 1,2-ETHANEDIOL, Cyclin-K, ... | | Authors: | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | | Deposit date: | 2022-11-30 | | Release date: | 2023-09-13 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | 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 | | Descriptor: | (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, ... | | Authors: | Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H. | | Deposit date: | 2022-11-30 | | Release date: | 2023-09-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | 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 | | Descriptor: | CITRIC ACID, Cyclin-K, Cyclin-dependent kinase 12, ... | | Authors: | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | | Deposit date: | 2022-11-30 | | Release date: | 2023-09-13 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (3.134 Å) | | Cite: | 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 | | Descriptor: | 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, ... | | Authors: | Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H. | | Deposit date: | 2022-11-30 | | Release date: | 2023-09-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.26 Å) | | Cite: | 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 | | Descriptor: | 2-(1~{H}-benzimidazol-2-ylsulfanyl)-~{N}-(5-chloranylpyridin-2-yl)ethanamide, CITRIC ACID, Cyclin-K, ... | | Authors: | Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H. | | Deposit date: | 2022-11-30 | | Release date: | 2023-09-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.85 Å) | | Cite: | 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 | | Descriptor: | 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, ... | | Authors: | Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H. | | Deposit date: | 2022-11-30 | | Release date: | 2023-09-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.79 Å) | | Cite: | 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 | | Descriptor: | 2-[[6-[[4-(2-hydroxyethyloxy)phenyl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ... | | Authors: | Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H. | | Deposit date: | 2022-11-30 | | Release date: | 2023-09-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
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