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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
8BU4
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BU of 8bu4 by Molmil
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
8B54
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BU of 8b54 by Molmil
CDK2/cyclin A2 in complex with pyrazolo[4,3-d]pyrimidine inhibitor LGR6768
Descriptor: 1,2-ETHANEDIOL, Cyclin-A2, Cyclin-dependent kinase 2, ...
Authors:Djukic, S, Skerlova, J, Rezacova, P.
Deposit date:2022-09-21
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: 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
Authors:Boriack-Sjodin, P.A.
Deposit date:2009-10-21
Release date:2009-12-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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)
Descriptor: 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, ...
Authors:Eck, M.J, Jeon, H, Park, E, Rawson, S.
Deposit date:2022-06-24
Release date:2023-07-05
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite: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)
Descriptor: 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, ...
Authors:Eck, M.J, Jeon, H, Park, E, Rawson, S.
Deposit date:2022-06-24
Release date:2023-07-05
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite: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
Descriptor: NITRATE ION, PHOSPHATE ION, Serine/threonine protein kinase
Authors: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.
Deposit date:2023-01-24
Release date:2023-06-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.68 Å)
Cite: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)
Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
Authors:Abril-Garrido, J, Dienemann, C, Grabbe, F, Velychko, T, Lidschreiber, M, Wang, H, Cramer, P.
Deposit date:2022-12-20
Release date:2023-05-03
Last modified:2023-06-14
Method:ELECTRON MICROSCOPY (4 Å)
Cite: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
Descriptor: 3,7,3',4'-TETRAHYDROXYFLAVONE, Cell division protein kinase 6, Cyclin
Authors:Lu, H.S, Chang, D.J, Baratte, B, Meijer, L, Schulze-Gahmen, U.
Deposit date:2004-10-05
Release date:2005-03-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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)
Descriptor: Beta-adrenergic receptor kinase 1
Authors:Lodowski, D.T, Barnhill, J.F, Pyskadlo, R.M, Ghirlando, R, Sterne-Marr, R, Tesmer, J.J.G.
Deposit date:2005-01-20
Release date:2005-07-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (4.5 Å)
Cite: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)
Descriptor: BALANOL, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Tesmer, J.J.G, Tesmer, V.M.
Deposit date:2009-11-19
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: MAP/Microtubule affinity regulating kinase 2
Authors:Panneerselvam, S, Marx, A, Mandelkow, E.-M, Mandelkow, E.
Deposit date:2005-05-11
Release date:2006-02-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.105 Å)
Cite: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
Descriptor: Calmodulin-domain protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, UNKNOWN ATOM OR ION
Authors: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)
Deposit date:2009-11-26
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, Protein kinase C, iota
Authors:Messerschmidt, A, Macieira, S, Velarde, M, Baedeker, M, Benda, C, Jestel, A, Brandstetter, H, Neuefeind, T, Blaesse, M, Structural Proteomics in Europe (SPINE)
Deposit date:2005-05-23
Release date:2005-09-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: MAP/Microtubule affinity-regulating kinase 2
Authors:Panneerselvam, S, Marx, A, Mandelkow, E.-M, Mandelkow, E.
Deposit date:2004-12-12
Release date:2006-02-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.501 Å)
Cite: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)
Descriptor: BALANOL, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Tesmer, J.J.G, Tesmer, V.M.
Deposit date:2009-11-19
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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
Descriptor: MAP/Microtubule affinity regulating kinase 2
Authors:Panneerselvam, S, Marx, A, Mandelkow, E.-M, Mandelkow, E.
Deposit date:2005-05-11
Release date:2006-02-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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.
Descriptor: Eukaryotic translation initiation factor 2 alpha subunit, Interferon-induced, double-stranded RNA-activated protein kinase, ...
Authors:Dar, A.C, Dever, T.E, Sicheri, F.
Deposit date:2005-06-19
Release date:2005-09-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: MAP/Microtubule affinity regulating kinase 2
Authors:Panneerselvam, S, Marx, A, Mandelkow, E.-M, Mandelkow, E.
Deposit date:2005-05-11
Release date:2006-02-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Structure of the catalytic and ubiquitin-associated domains of the protein kinase MARK/Par-1.
Structure, 14, 2006

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