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8BUM
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BU of 8bum by Molmil
Structure of DDB1 bound to DS15-engaged CDK12-cyclin K
分子名称: (2R)-2-[[6-(5-naphthalen-1-ylpentylamino)-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2023-09-20
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (3.36 Å)
主引用文献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
分子名称: 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, ...
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 (3.245 Å)
主引用文献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
分子名称: (2~{R})-2-[[6-[(4-phenylphenyl)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 (3.08 Å)
主引用文献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
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 (3.13 Å)
主引用文献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
分子名称: (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, ...
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 (3.5 Å)
主引用文献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
分子名称: (2~{R})-~{N}-(1~{H}-benzimidazol-2-yl)-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanamide, 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 (3.193 Å)
主引用文献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
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 (3.64 Å)
主引用文献Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BU4
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BU of 8bu4 by Molmil
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
8B54
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BU of 8b54 by Molmil
CDK2/cyclin A2 in complex with pyrazolo[4,3-d]pyrimidine inhibitor LGR6768
分子名称: 1,2-ETHANEDIOL, Cyclin-A2, Cyclin-dependent kinase 2, ...
著者Djukic, S, Skerlova, J, Rezacova, P.
登録日2022-09-21
公開日2023-03-29
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 new highly selective pyrazolo[4,3-d]pyrimidine inhibitor of CDK7.
Biomed Pharmacother, 161, 2023
3KCF
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BU of 3kcf by Molmil
Crystal structure of TGFbRI complexed with a pyrazolone inhibitor
分子名称: 4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-quinoxalin-6-yl-1,2-dihydro-3H-pyrazol-3-one, PHOSPHATE ION, TGF-beta receptor type-1
著者Boriack-Sjodin, P.A.
登録日2009-10-21
公開日2009-12-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Pyrazolone based TGFbetaR1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
8DGS
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BU of 8dgs by Molmil
Cryo-EM structure of a RAS/RAF complex (state 1)
分子名称: 14-3-3 protein zeta, 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Eck, M.J, Jeon, H, Park, E, Rawson, S.
登録日2022-06-24
公開日2023-07-05
最終更新日2023-08-09
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Cryo-EM structure of a RAS/RAF recruitment complex.
Nat Commun, 14, 2023
8DGT
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BU of 8dgt by Molmil
Cryo-EM structure of a RAS/RAF complex (state 2)
分子名称: 14-3-3 protein zeta, 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Eck, M.J, Jeon, H, Park, E, Rawson, S.
登録日2022-06-24
公開日2023-07-05
最終更新日2023-08-09
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM structure of a RAS/RAF recruitment complex.
Nat Commun, 14, 2023
8CAR
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BU of 8car by Molmil
Discovery of the lanthipeptide Curvocidin and structural insights into its trifunctional synthetase CuvL
分子名称: NITRATE ION, PHOSPHATE ION, Serine/threonine protein kinase
著者Martins, B.M, Sigurdsson, A, Duettmann, A.A, Jasyk, M, Dimos-Roehl, B, Schoepf, F, Gemander, M, Knittel, C.H, Schegotzki, R, Schmid, B, Kosol, S, Pommerening, L, Gonzalez-Viegas, M, Seidel, M, Huegelland, M, Leimkuehler, S, Dobbek, H, Mainz, A, Suessmuth, R.
登録日2023-01-24
公開日2023-06-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Discovery of the Lanthipeptide Curvocidin and Structural Insights into its Trifunctional Synthetase CuvL.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BVW
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BU of 8bvw by Molmil
RNA polymerase II pre-initiation complex with the distal +1 nucleosome (PIC-Nuc18W)
分子名称: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
著者Abril-Garrido, J, Dienemann, C, Grabbe, F, Velychko, T, Lidschreiber, M, Wang, H, Cramer, P.
登録日2022-12-20
公開日2023-05-03
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural basis of transcription reduction by a promoter-proximal +1 nucleosome.
Mol.Cell, 83, 2023
1XO2
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BU of 1xo2 by Molmil
Crystal structure of a human cyclin-dependent kinase 6 complex with a flavonol inhibitor, fisetin
分子名称: 3,7,3',4'-TETRAHYDROXYFLAVONE, Cell division protein kinase 6, Cyclin
著者Lu, H.S, Chang, D.J, Baratte, B, Meijer, L, Schulze-Gahmen, U.
登録日2004-10-05
公開日2005-03-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of a Human Cyclin-Dependent Kinase 6 Complex with a Flavonol Inhibitor, Fisetin.
J.Med.Chem., 48, 2005
1YM7
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BU of 1ym7 by Molmil
G Protein-Coupled Receptor Kinase 2 (GRK2)
分子名称: Beta-adrenergic receptor kinase 1
著者Lodowski, D.T, Barnhill, J.F, Pyskadlo, R.M, Ghirlando, R, Sterne-Marr, R, Tesmer, J.J.G.
登録日2005-01-20
公開日2005-07-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献The role of Gbetagamma and domain interfaces in the activation of G protein-coupled receptor kinase 2
Biochemistry, 44, 2005
3KRW
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BU of 3krw by Molmil
Human GRK2 in complex with Gbetgamma subunits and balanol (soak)
分子名称: BALANOL, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Tesmer, J.J.G, Tesmer, V.M.
登録日2009-11-19
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of human g protein-coupled receptor kinase 2 in complex with the kinase inhibitor balanol.
J.Med.Chem., 53, 2010
1ZMV
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BU of 1zmv by Molmil
Catalytic and ubiqutin-associated domains of MARK2/PAR-1: K82R mutant
分子名称: MAP/Microtubule affinity regulating kinase 2
著者Panneerselvam, S, Marx, A, Mandelkow, E.-M, Mandelkow, E.
登録日2005-05-11
公開日2006-02-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.105 Å)
主引用文献Structure of the catalytic and ubiquitin-associated domains of the protein kinase MARK/Par-1.
Structure, 14, 2006
3KU2
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BU of 3ku2 by Molmil
Crystal Structure of inactivated form of CDPK1 from toxoplasma gondii, TGME49.101440
分子名称: Calmodulin-domain protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, UNKNOWN ATOM OR ION
著者Wernimont, A.K, Artz, J.D, Finnerty, P, Xiao, T, He, H, Mackenzie, F, Sinestera, G, Hassani, A.A, Wasney, G, Vedadi, M, Lourido, S, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Sibley, D.L, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC)
登録日2009-11-26
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium.
Nat.Struct.Mol.Biol., 17, 2010
1ZRZ
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BU of 1zrz by Molmil
Crystal Structure of the Catalytic Domain of Atypical Protein Kinase C-iota
分子名称: 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, Protein kinase C, iota
著者Messerschmidt, A, Macieira, S, Velarde, M, Baedeker, M, Benda, C, Jestel, A, Brandstetter, H, Neuefeind, T, Blaesse, M, Structural Proteomics in Europe (SPINE)
登録日2005-05-23
公開日2005-09-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Atypical Protein Kinase C-iota Reveals Interaction Mode of Phosphorylation Site in Turn Motif
J.Mol.Biol., 352, 2005
1Y8G
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BU of 1y8g by Molmil
Catalytic and ubiqutin-associated domains of MARK2/PAR-1: Inactive double mutant with selenomethionine
分子名称: MAP/Microtubule affinity-regulating kinase 2
著者Panneerselvam, S, Marx, A, Mandelkow, E.-M, Mandelkow, E.
登録日2004-12-12
公開日2006-02-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Structure of the catalytic and ubiquitin-associated domains of the protein kinase MARK/Par-1.
Structure, 14, 2006
3KRX
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BU of 3krx by Molmil
Human GRK2 in complex with Gbetgamma subunits and balanol (co-crystal)
分子名称: BALANOL, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Tesmer, J.J.G, Tesmer, V.M.
登録日2009-11-19
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of human g protein-coupled receptor kinase 2 in complex with the kinase inhibitor balanol.
J.Med.Chem., 53, 2010
1ZMU
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BU of 1zmu by Molmil
Catalytic and ubiqutin-associated domains of MARK2/PAR-1: Wild type
分子名称: MAP/Microtubule affinity regulating kinase 2
著者Panneerselvam, S, Marx, A, Mandelkow, E.-M, Mandelkow, E.
登録日2005-05-11
公開日2006-02-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of the catalytic and ubiquitin-associated domains of the protein kinase MARK/Par-1.
Structure, 14, 2006
2A19
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BU of 2a19 by Molmil
PKR kinase domain- eIF2alpha- AMP-PNP complex.
分子名称: Eukaryotic translation initiation factor 2 alpha subunit, Interferon-induced, double-stranded RNA-activated protein kinase, ...
著者Dar, A.C, Dever, T.E, Sicheri, F.
登録日2005-06-19
公開日2005-09-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Higher-Order Substrate Recognition of eIF2alpha by the RNA-Dependent Protein Kinase PKR.
Cell(Cambridge,Mass.), 122, 2005
1ZMW
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BU of 1zmw by Molmil
Catalytic and ubiqutin-associated domains of MARK2/PAR-1: T208A/S212A inactive double mutant
分子名称: MAP/Microtubule affinity regulating kinase 2
著者Panneerselvam, S, Marx, A, Mandelkow, E.-M, Mandelkow, E.
登録日2005-05-11
公開日2006-02-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.802 Å)
主引用文献Structure of the catalytic and ubiquitin-associated domains of the protein kinase MARK/Par-1.
Structure, 14, 2006

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