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4F7N
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Crystal structure of human CDK8/CYCC in complex with compound 11 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(5-hydroxypentyl)urea)
分子名称: 1,2-ETHANEDIOL, 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(5-hydroxypentyl)urea, Cyclin-C, ...
著者Schneider, E.V, Boettcher, J, Huber, R, Maskos, K.
登録日2012-05-16
公開日2013-05-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure-kinetic relationship study of CDK8/CycC specific compounds.
Proc.Natl.Acad.Sci.USA, 110, 2013
4FIE
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Full-length human PAK4
分子名称: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase PAK 4
著者Ha, B.H, Boggon, T.J.
登録日2012-06-08
公開日2012-09-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Type II p21-activated kinases (PAKs) are regulated by an autoinhibitory pseudosubstrate.
Proc.Natl.Acad.Sci.USA, 109, 2012
4F6S
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Crystal structure of human CDK8/CYCC in complex with compound 7 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea)
分子名称: 1,2-ETHANEDIOL, 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, Cyclin-C, ...
著者Schneider, E.V, Boettcher, J, Huber, R, Maskos, K.
登録日2012-05-15
公開日2013-05-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-kinetic relationship study of CDK8/CycC specific compounds.
Proc.Natl.Acad.Sci.USA, 110, 2013
4F9A
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Human CDC7 kinase in complex with DBF4 and nucleotide
分子名称: ADENOSINE-5'-DIPHOSPHATE, Cell division cycle 7-related protein kinase, MAGNESIUM ION, ...
著者Hughes, S, Cherepanov, P.
登録日2012-05-18
公開日2012-10-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Crystal structure of human CDC7 kinase in complex with its activator DBF4.
Nat.Struct.Mol.Biol., 19, 2012
4F9B
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Human CDC7 kinase in complex with DBF4 and PHA767491
分子名称: 2-(pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Cell division cycle 7-related protein kinase, Protein DBF4 homolog A, ...
著者Hughes, S, Cherepanov, P.
登録日2012-05-18
公開日2012-10-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of human CDC7 kinase in complex with its activator DBF4.
Nat.Struct.Mol.Biol., 19, 2012
6QTJ
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Crystal structure of human CDK8/CYCC in complex with BI 919811
分子名称: Cyclin-C, Cyclin-dependent kinase 8, ~{N},~{N}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide
著者Boettcher, J.
登録日2019-02-25
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance.
Mol.Cancer Ther., 19, 2020
4F9C
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Human CDC7 kinase in complex with DBF4 and XL413
分子名称: 8-chloro-2-[(2S)-pyrrolidin-2-yl][1]benzofuro[3,2-d]pyrimidin-4(3H)-one, Cell division cycle 7-related protein kinase, Protein DBF4 homolog A, ...
著者Hughes, S, Cherepanov, P.
登録日2012-05-18
公開日2012-10-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Crystal structure of human CDC7 kinase in complex with its activator DBF4.
Nat.Struct.Mol.Biol., 19, 2012
8G66
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Structure with SJ3149
分子名称: (3S)-3-{5-[(1,2-benzoxazol-3-yl)amino]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}piperidine-2,6-dione, Casein kinase I isoform alpha, DNA damage-binding protein 1, ...
著者Miller, D.J, Young, S.M, Fischer, M.
登録日2023-02-14
公開日2023-12-13
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Structure of ternary complex with molecular glue targeting CK1A for degradation by the CRL4CRBN ubiquitin ligase
To Be Published
8H6T
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Complex structure of CDK2/Cyclin E1 and a potent, selective small molecule inhibitor
分子名称: (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
著者Ren, X.
登録日2022-10-18
公開日2023-02-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
8H6P
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Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor
分子名称: (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
著者Ren, X.
登録日2022-10-18
公開日2023-02-22
最終更新日2023-03-29
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
8H4R
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BU of 8h4r by Molmil
The Crystal Structure of CDK3 and CyclinE1 Complex with Dinaciclib from Biortus
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, G1/S-specific cyclin-E1, ...
著者Gui, W, Wang, F, Cheng, W, Gao, J, Huang, Y, Ouyang, Z.
登録日2022-10-11
公開日2023-10-11
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献The Crystal Structure of CDK3 and CyclinE1 Complex with Dinaciclib from Biortus
To Be Published
8I0L
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Structure of CDK9/cyclin T1 in complex with inhibitor
分子名称: 2-[(4-azanylcyclohexyl)amino]-7-cyclopentyl-~{N},~{N}-dimethyl-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Cyclin-T1, Cyclin-dependent kinase 9
著者Jiang, C, Ye, Y, Huang, Y.
登録日2023-01-11
公開日2024-01-24
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structure of CDK9/cyclin T1 in complex with inhibitor
To Be Published
8IYJ
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BU of 8iyj by Molmil
Cryo-EM structure of the 48-nm repeat doublet microtubule from mouse sperm
分子名称: Cilia and flagella-associated protein 77, Cilia- and flagella-associated protein 107, Cilia- and flagella-associated protein 141, ...
著者Zhou, L.N, Gui, M, Wu, J.P.
登録日2023-04-05
公開日2023-07-05
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structures of sperm flagellar doublet microtubules expand the genetic spectrum of male infertility.
Cell, 186, 2023
8JPD
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BU of 8jpd by Molmil
Focused refinement structure of GRK2 in NTSR1-GRK2-Galpha(q) complexes
分子名称: Beta-adrenergic receptor kinase 1, STAUROSPORINE
著者Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E.
登録日2023-06-11
公開日2023-08-09
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
8JFL
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PhK holoenzyme in active state, muscle isoform
分子名称: ADENOSINE-5'-DIPHOSPHATE, FARNESYL, Phosphorylase b kinase gamma catalytic chain, ...
著者Yang, X.K, Xiao, J.Y.
登録日2023-05-18
公開日2024-04-03
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Architecture and activation of human muscle phosphorylase kinase.
Nat Commun, 15, 2024
8JFK
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PhK holoenzyme in inactive state, muscle isoform
分子名称: Calmodulin-1, FARNESYL, Phosphorylase b kinase gamma catalytic chain, ...
著者Yang, X.K, Xiao, J.Y.
登録日2023-05-18
公開日2024-04-03
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Architecture and activation of human muscle phosphorylase kinase.
Nat Commun, 15, 2024
8OR4
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Partially dissociated CAND1-CUL1-RBX1-SKP1-SKP2-CKS1-CDK2
分子名称: Cullin-1, Cullin-associated NEDD8-dissociated protein 1, Cyclin-dependent kinase 2, ...
著者Shaaban, M, Clapperton, J.A, Ding, S, Maeots, M.E, Enchev, R.I.
登録日2023-04-13
公開日2023-06-28
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural and mechanistic insights into the CAND1-mediated SCF substrate receptor exchange.
Mol.Cell, 83, 2023
8OR0
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CAND1-CUL1-RBX1-SKP1-SKP2-CKS1-CDK2
分子名称: Cullin-1, Cullin-associated NEDD8-dissociated protein 1, Cyclin-dependent kinase 2, ...
著者Shaaban, M, Clapperton, J.A, Ding, S, Maeots, M.E, Enchev, R.I.
登録日2023-04-12
公開日2023-06-28
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural and mechanistic insights into the CAND1-mediated SCF substrate receptor exchange.
Mol.Cell, 83, 2023
8EJ4
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Cryo-EM structure of the active NLRP3 inflammasome disk
分子名称: MAGNESIUM ION, NACHT, LRR and PYD domains-containing protein 3, ...
著者Hao, W, Le, X.
登録日2022-09-16
公開日2022-12-14
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM structures of the active NLRP3 inflammasome disc.
Nature, 613, 2023
8FP3
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PKCeta kinase domain in complex with compound 11
分子名称: (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Protein kinase C eta type
著者Johnson, E.
登録日2023-01-03
公開日2023-04-05
最終更新日2023-04-26
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
8FP1
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PKCeta kinase domain in complex with compound 2
分子名称: (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, Protein kinase C eta type
著者Johnson, E.
登録日2023-01-03
公開日2023-04-05
最終更新日2023-04-26
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
8FAC
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Structure of the leucine-rich repeat kinase 1 monomer
分子名称: GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 1
著者Metcalfe, R.D, Martinez Fiesco, J.A, Zhang, P.
登録日2022-11-25
公開日2023-08-16
実験手法ELECTRON MICROSCOPY (3.92 Å)
主引用文献Structure and regulation of full-length human leucine-rich repeat kinase 1.
Nat Commun, 14, 2023
8FEC
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Structure of J-PKAc chimera complexed with Aplithianine derivative
分子名称: 6-[(6P)-6-(4-bromo-1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7H-purine, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R.
登録日2022-12-06
公開日2023-10-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
8FE2
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Structure of J-PKAc chimera complexed with Aplithianine A
分子名称: 6-[(6M)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-9H-purine, DnaJ homolog subfamily B member 1, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Du, L, Wilson, B.A.P, Li, N, Dalilian, M, Wang, D, Martinez Fiesco, J.A, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R.
登録日2022-12-05
公開日2023-10-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
8FE5
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Structure of J-PKAc chimera complexed with Aplithianine B
分子名称: 6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R.
登録日2022-12-05
公開日2023-10-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023

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