1OGU
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![BU of 1ogu by Molmil](/molmil-images/mine/1ogu) | STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH A 2-ARYLAMINO-4-CYCLOHEXYLMETHYL-5-NITROSO-6-AMINOPYRIMIDINE INHIBITOR | Descriptor: | 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | Authors: | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2003-05-13 | Release date: | 2003-09-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Based Design of 2-Arylamino-4-Cyclohexyl Methyl-5-Nitroso-6-Aminopyrimidine Inhibitors of Cyclin-Dependent Kinases 1 and 2 Bioorg.Med.Chem.Lett., 13, 2003
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1P5E
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![BU of 1p5e by Molmil](/molmil-images/mine/1p5e) | The structure of phospho-CDK2/cyclin A in complex with the inhibitor 4,5,6,7-tetrabromobenzotriazole (TBS) | Descriptor: | 4,5,6,7-TETRABROMOBENZOTRIAZOLE, Cell division protein kinase 2, Cyclin A2 | Authors: | De Moliner, E, Brown, N.R, Johnson, L.N. | Deposit date: | 2003-04-26 | Release date: | 2003-07-01 | Last modified: | 2016-12-21 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Alternative binding modes of an inhibitor to two different kinases Eur.J.Biochem., 270, 2003
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5W80
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![BU of 5w80 by Molmil](/molmil-images/mine/5w80) | Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-237 | Descriptor: | 3-(3-chlorophenoxy)-1-[(piperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1 | Authors: | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Walker, J.R, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-21 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-237 To be published
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5W9E
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![BU of 5w9e by Molmil](/molmil-images/mine/5w9e) | Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186 | Descriptor: | 1-tert-butyl-3-[(3-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 | Authors: | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R. | Deposit date: | 2017-06-23 | Release date: | 2017-08-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186 To be published
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5WG4
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![BU of 5wg4 by Molmil](/molmil-images/mine/5wg4) | Human GRK2 in complex with Gbetagamma subunits and CCG257284 | Descriptor: | 2-fluoro-5-[(3S,4R)-3-{[(1H-indazol-5-yl)oxy]methyl}piperidin-4-yl]-N-[(pyridin-2-yl)methyl]benzamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Bouley, R, Tesmer, J.J.G. | Deposit date: | 2017-07-13 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structural Determinants Influencing the Potency and Selectivity of Indazole-Paroxetine Hybrid G Protein-Coupled Receptor Kinase 2 Inhibitors. Mol. Pharmacol., 92, 2017
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5WG5
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![BU of 5wg5 by Molmil](/molmil-images/mine/5wg5) | Human GRK2 in complex with Gbetagamma subunits and CCG224061 | Descriptor: | 5-{[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-2H-indazole, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Bouley, R, Tesmer, J.J.G. | Deposit date: | 2017-07-13 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Determinants Influencing the Potency and Selectivity of Indazole-Paroxetine Hybrid G Protein-Coupled Receptor Kinase 2 Inhibitors. Mol. Pharmacol., 92, 2017
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1PY5
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![BU of 1py5 by Molmil](/molmil-images/mine/1py5) | Crystal Structure of TGF-beta receptor I kinase with inhibitor | Descriptor: | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE, SULFATE ION, TGF-beta receptor type I | Authors: | Zhang, F, Sawyer, J.S. | Deposit date: | 2003-07-08 | Release date: | 2004-07-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Synthesis and activity of new aryl- and heteroaryl-substituted 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole inhibitors of the transforming growth factor-beta type I receptor kinase domain. Bioorg.Med.Chem.Lett., 14, 2004
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1MRV
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![BU of 1mrv by Molmil](/molmil-images/mine/1mrv) | crystal structure of an inactive Akt2 kinase domain | Descriptor: | RAC-beta serine/threonine kinase | Authors: | Huang, X, Begley, M, Morgenstern, K.A, Gu, Y, Rose, P, Zhao, H, Zhu, X. | Deposit date: | 2002-09-18 | Release date: | 2003-09-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of an inactive akt2 kinase domain Structure, 11, 2003
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5W8R
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![BU of 5w8r by Molmil](/molmil-images/mine/5w8r) | Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI | Descriptor: | 1-tert-butyl-3-[(3-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1 | Authors: | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-22 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI To be published
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1QMZ
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![BU of 1qmz by Molmil](/molmil-images/mine/1qmz) | PHOSPHORYLATED CDK2-CYCLYIN A-SUBSTRATE PEPTIDE COMPLEX | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CELL DIVISION PROTEIN KINASE 2, G2/MITOTIC-SPECIFIC CYCLIN A, ... | Authors: | Brown, N.R, Noble, M.E.M, Endicott, J.A, Johnson, L.N. | Deposit date: | 1999-10-11 | Release date: | 1999-12-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Structural Basis for Specificity of Substrate and Recruitment Peptides for Cyclin-Dependent Kinases Nat.Cell Biol., 1, 1999
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1VYW
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![BU of 1vyw by Molmil](/molmil-images/mine/1vyw) | Structure of CDK2/Cyclin A with PNU-292137 | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-2-(2-NAPHTHYL)ACETAMIDE, ... | Authors: | Pevarello, P, Brasca, M.G, Amici, R, Orsini, P, Traquandi, G, Corti, L, Piutti, C, Sansonna, P, Villa, M, Pierce, B.S, Pulici, M, Giordano, P, Martina, K, Fritzen, E.L, Nugent, R.A, Casale, E, Cameron, A, Ciomei, M, Roletto, F, Isacchi, A, Fogliatto, G, Pesenti, E, Pastori, W, Marsiglio, A, Leach, K.L, Clare, P.M, Fiorentini, F, Varasi, M, Vulpetti, A, Warpehoski, M.A. | Deposit date: | 2004-05-07 | Release date: | 2004-06-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 3-Aminopyrazole Inhibitors of Cdk2/Cyclin a as Antitumor Agents. Part 1. Lead Finding J.Med.Chem., 47, 2004
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8BUF
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![BU of 8buf by Molmil](/molmil-images/mine/8buf) | Structure of DDB1 bound to Z12-engaged CDK12-cyclin K | Descriptor: | 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, ... | 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 (3.3 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUJ
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![BU of 8buj by Molmil](/molmil-images/mine/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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8BU1
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![BU of 8bu1 by Molmil](/molmil-images/mine/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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8BU9
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![BU of 8bu9 by Molmil](/molmil-images/mine/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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8BUO
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![BU of 8buo by Molmil](/molmil-images/mine/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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8BUP
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![BU of 8bup by Molmil](/molmil-images/mine/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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8BU6
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![BU of 8bu6 by Molmil](/molmil-images/mine/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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8BUK
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![BU of 8buk by Molmil](/molmil-images/mine/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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8BU3
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![BU of 8bu3 by Molmil](/molmil-images/mine/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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8BUB
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![BU of 8bub by Molmil](/molmil-images/mine/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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8BUQ
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![BU of 8buq by Molmil](/molmil-images/mine/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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8BUL
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![BU of 8bul by Molmil](/molmil-images/mine/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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8BU5
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![BU of 8bu5 by Molmil](/molmil-images/mine/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
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![BU of 8bus by Molmil](/molmil-images/mine/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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