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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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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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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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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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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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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8BUH
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![BU of 8buh by Molmil](/molmil-images/mine/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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8BUC
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![BU of 8buc by Molmil](/molmil-images/mine/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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8BUT
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![BU of 8but by Molmil](/molmil-images/mine/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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8BUD
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![BU of 8bud by Molmil](/molmil-images/mine/8bud) | Structure of DDB1 bound to Z7-engaged CDK12-cyclin K | Descriptor: | Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ... | 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 (3.2 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUE
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![BU of 8bue by Molmil](/molmil-images/mine/8bue) | Structure of DDB1 bound to Z11-engaged CDK12-cyclin K | Descriptor: | Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ... | 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 (3.25 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUG
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![BU of 8bug by Molmil](/molmil-images/mine/8bug) | Structure of DDB1 bound to HQ461-engaged CDK12-cyclin K | Descriptor: | 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, ... | 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 (3.53 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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5L58
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![BU of 5l58 by Molmil](/molmil-images/mine/5l58) | Crystal structure of Iso-citrate Dehydrogenase 1 [IDH1 (R132H)] in complex with a novel inhibitor (Compound 2) | Descriptor: | 2-[(3~{R})-1-[6-cyclohexylsulfanyl-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]pyrrolidin-3-yl]ethanoic acid, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Levy, C. | Deposit date: | 2016-05-28 | Release date: | 2016-12-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | Discovery and Optimization of Allosteric Inhibitors of Mutant Isocitrate Dehydrogenase 1 (R132H IDH1) Displaying Activity in Human Acute Myeloid Leukemia Cells. J.Med.Chem., 59, 2016
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6X9I
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![BU of 6x9i by Molmil](/molmil-images/mine/6x9i) | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ... | Authors: | Pathuri, S, Horton, J.R, Cheng, X. | Deposit date: | 2020-06-02 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia. Nat Cancer, 2, 2021
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6X9K
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![BU of 6x9k by Molmil](/molmil-images/mine/6x9k) | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3685032A | Descriptor: | (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), ... | Authors: | Pathuri, S, Horton, J.R, Cheng, X. | Deposit date: | 2020-06-02 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia. Nat Cancer, 2, 2021
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6X9J
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![BU of 6x9j by Molmil](/molmil-images/mine/6x9j) | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3830052 | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ... | Authors: | Pathuri, S, Horton, J.R, Cheng, X. | Deposit date: | 2020-06-02 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia. Nat Cancer, 2, 2021
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6COX
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![BU of 6cox by Molmil](/molmil-images/mine/6cox) | |
5COX
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![BU of 5cox by Molmil](/molmil-images/mine/5cox) | |
3PGH
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![BU of 3pgh by Molmil](/molmil-images/mine/3pgh) | |
3IFO
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![BU of 3ifo by Molmil](/molmil-images/mine/3ifo) | X-ray structure of amyloid beta peptide:antibody (Abeta1-7:10D5) complex | Descriptor: | 10D5 FAB antibody heavy chain, 10D5 FAB antibody light chain, Amyloid beta A4 protein | Authors: | Weis, W.I, Feinberg, H, Basi, G.S, Schenk, D. | Deposit date: | 2009-07-24 | Release date: | 2009-11-17 | Last modified: | 2013-09-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural correlates of antibodies associated with acute reversal of amyloid beta-related behavioral deficits in a mouse model of Alzheimer disease. J.Biol.Chem., 285, 2010
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3IFP
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![BU of 3ifp by Molmil](/molmil-images/mine/3ifp) | X-ray structure of amyloid beta peptide:antibody (Abeta1-7:12B4) complex | Descriptor: | 12B4 FAB antibody heavy chain, 12B4 FAB antibody light chain, Amyloid beta A4 protein | Authors: | Weis, W.I, Feinberg, H, Basi, G.S, Schenk, D. | Deposit date: | 2009-07-24 | Release date: | 2009-11-17 | Last modified: | 2013-09-25 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural correlates of antibodies associated with acute reversal of amyloid beta-related behavioral deficits in a mouse model of Alzheimer disease. J.Biol.Chem., 285, 2010
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3IFL
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![BU of 3ifl by Molmil](/molmil-images/mine/3ifl) | X-ray structure of amyloid beta peptide:antibody (Abeta1-7:12A11) complex | Descriptor: | 12A11 FAB antibody heavy chain, 12A11 FAB antibody light chain, Amyloid beta A4 protein | Authors: | Weis, W.I, Feinberg, H, Basi, G.S, Schenk, D. | Deposit date: | 2009-07-24 | Release date: | 2009-11-17 | Last modified: | 2013-06-19 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural correlates of antibodies associated with acute reversal of amyloid beta-related behavioral deficits in a mouse model of Alzheimer disease. J.Biol.Chem., 285, 2010
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1CX2
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![BU of 1cx2 by Molmil](/molmil-images/mine/1cx2) | |