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8BU3
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BU of 8bu3 by Molmil
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
8BUB
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BU of 8bub by Molmil
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
8BUQ
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BU of 8buq by Molmil
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
8BUL
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BU of 8bul by Molmil
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
8BU5
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BU of 8bu5 by Molmil
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
8BUS
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BU of 8bus by Molmil
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
8BUH
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BU of 8buh by Molmil
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
8BUC
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BU of 8buc by Molmil
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
8BUT
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BU of 8but by Molmil
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
8BUD
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BU of 8bud by Molmil
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
8BUE
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BU of 8bue by Molmil
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
8BUG
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BU of 8bug by Molmil
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
6S07
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BU of 6s07 by Molmil
Structure of formylglycine-generating enzyme at 1.04 A in complex with copper and substrate reveals an acidic pocket for binding and acti-vation of molecular oxygen.
Descriptor: Abz-ALA-THR-THR-PRO-LEU-CYS-GLY-PRO-SER-ARG-ALA-SER-ILE-LEU-SER-GLY-ARG, CALCIUM ION, CHLORIDE ION, ...
Authors:Leisinger, F, Miarzlou, D.A, Seebeck, F.P.
Deposit date:2019-06-14
Release date:2019-06-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Structure of formylglycine-generating enzyme in complex with copper and a substrate reveals an acidic pocket for binding and activation of molecular oxygen.
Chem Sci, 10, 2019
3CW1
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BU of 3cw1 by Molmil
Crystal Structure of Human Spliceosomal U1 snRNP
Descriptor: Small nuclear ribonucleoprotein E, Small nuclear ribonucleoprotein F, Small nuclear ribonucleoprotein G, ...
Authors:Pomeranz Krummel, D.A, Oubridge, C, Leung, A.K, Li, J, Nagai, K.
Deposit date:2008-04-21
Release date:2009-03-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (5.493 Å)
Cite:Crystal structure of human spliceosomal U1 snRNP at 5.5 A resolution.
Nature, 458, 2009
8BUM
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BU of 8bum by Molmil
Structure of DDB1 bound to DS15-engaged CDK12-cyclin K
Descriptor: (2R)-2-[[6-(5-naphthalen-1-ylpentylamino)-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:2023-09-20
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BU7
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BU of 8bu7 by Molmil
Structure of DDB1 bound to 21195-engaged CDK12-cyclin K
Descriptor: 1,2-ETHANEDIOL, 1-[2,6-bis(chloranyl)phenyl]-6-[[4-(2-hydroxyethyloxy)phenyl]methyl]-3-propan-2-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one, 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 (3.245 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUN
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BU of 8bun by Molmil
Structure of DDB1 bound to DS16-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[6-[(4-phenylphenyl)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 (3.08 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BU2
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BU of 8bu2 by Molmil
Structure of DDB1 bound to DS18-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 (3.13 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUI
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BU of 8bui by Molmil
Structure of DDB1 bound to DRF-053-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)amino]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 (3.5 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUA
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BU of 8bua by Molmil
Structure of DDB1 bound to 919278-engaged CDK12-cyclin K
Descriptor: (2~{R})-~{N}-(1~{H}-benzimidazol-2-yl)-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanamide, 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 (3.193 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUR
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BU of 8bur by Molmil
Structure of DDB1 bound to DS50-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 (3.64 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
6TX3
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BU of 6tx3 by Molmil
HPF1 bound to catalytic fragment of PARP2
Descriptor: 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Histone PARylation factor 1, Poly [ADP-ribose] polymerase 2,Poly [ADP-ribose] polymerase 2
Authors:Suskiewicz, M.J, Ahel, I.
Deposit date:2020-01-13
Release date:2020-02-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:HPF1 completes the PARP active site for DNA damage-induced ADP-ribosylation.
Nature, 579, 2020
6TX1
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BU of 6tx1 by Molmil
HPF1 from Nematostella vectensis
Descriptor: Predicted protein
Authors:Suskiewicz, M.J, Ahel, I.
Deposit date:2020-01-13
Release date:2020-02-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.091 Å)
Cite:HPF1 completes the PARP active site for DNA damage-induced ADP-ribosylation.
Nature, 579, 2020
6TVH
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BU of 6tvh by Molmil
Selenomethionine-substituted HPF1 from Nematostella vectensis
Descriptor: Predicted protein
Authors:Ariza, A.
Deposit date:2020-01-09
Release date:2020-02-19
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (2.651 Å)
Cite:HPF1 completes the PARP active site for DNA damage-induced ADP-ribosylation.
Nature, 579, 2020
6TX2
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BU of 6tx2 by Molmil
Human HPF1
Descriptor: Histone PARylation factor 1, SODIUM ION
Authors:Suskiewicz, M.J, Ahel, I.
Deposit date:2020-01-13
Release date:2020-02-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:HPF1 completes the PARP active site for DNA damage-induced ADP-ribosylation.
Nature, 579, 2020

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数据于2024-07-24公开中

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