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6XI8
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Yeast TFIIK (Kin28/Ccl1/Tfb3) Complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Cyclin CCL1, ...
著者van Eeuwen, T, Murakami, K, Li, T, Tsai, K.L.
登録日2020-06-19
公開日2021-04-28
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Structure of TFIIK for phosphorylation of CTD of RNA polymerase II.
Sci Adv, 7, 2021
8GXQ
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PIC-Mediator in complex with +1 nucleosome (T40N) in MH-binding state
分子名称: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
著者Chen, X, Wang, X, Liu, W, Ren, Y, Qu, X, Li, J, Yin, X, Xu, Y.
登録日2022-09-21
公開日2022-11-02
実験手法ELECTRON MICROSCOPY (5.04 Å)
主引用文献Structures of +1 nucleosome-bound PIC-Mediator complex.
Science, 378, 2022
8GXS
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PIC-Mediator in complex with +1 nucleosome (T40N) in H-binding state
分子名称: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
著者Chen, X, Wang, X, Liu, W, Ren, Y, Qu, X, Li, J, Yin, X.
登録日2022-09-21
公開日2022-11-02
実験手法ELECTRON MICROSCOPY (4.16 Å)
主引用文献Structures of +1 nucleosome-bound PIC-Mediator complex.
Science, 378, 2022
6Y0A
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CRYSTAL STRUCTURE OF CDK8-CycC IN COMPLEX WITH BI00690300
分子名称: 1,2-ETHANEDIOL, 6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide, Cyclin-C, ...
著者Bader, G, Boettcher, J.
登録日2020-02-07
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Human Cyclin-Dependent Kinase8/Cyclinc In Complex With Ligand 30180596
To Be Published
7EGB
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TFIID-based holo PIC on SCP promoter
分子名称: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
著者Chen, X, Wu, Z, Hou, H, Qi, Y, Wang, X, Li, J, Xu, Y.
登録日2021-03-24
公開日2021-05-05
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into preinitiation complex assembly on core promoters.
Science, 372, 2021
5L1Z
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TAR complex with HIV-1 Tat-AFF4-P-TEFb
分子名称: AF4/FMR2 family member 4, Cyclin-T1, Cyclin-dependent kinase 9, ...
著者Schulze-Gahmen, U, Hurley, J.
登録日2016-07-29
公開日2016-10-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (5.9 Å)
主引用文献Insights into HIV-1 proviral transcription from integrative structure and dynamics of the Tat:AFF4:P-TEFb:TAR complex.
Elife, 5, 2016
6Z45
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CDK9-Cyclin-T1 complex bound by compound 24
分子名称: (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclin-T1, ...
著者Ferguson, A, Collie, G.W.
登録日2020-05-22
公開日2020-12-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.37 Å)
主引用文献Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies.
J.Med.Chem., 63, 2020
4NST
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BU of 4nst by Molmil
Crystal structure of human Cdk12/Cyclin K in complex with ADP-aluminum fluoride
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, ...
著者Boesken, C.A, Farnung, L, Anand, K, Geyer, M.
登録日2013-11-29
公開日2014-03-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The structure and substrate specificity of human Cdk12/Cyclin K.
Nat Commun, 5, 2014
4OGR
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BU of 4ogr by Molmil
crystal structure of P-TEFb complex with AFF4 and Tat
分子名称: ADENOSINE, AF4/FMR2 family member 4, Cyclin-T1, ...
著者Schulze-Gahmen, U, Alber, T.
登録日2014-01-16
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献AFF4 binding to Tat-P-TEFb indirectly stimulates TAR recognition of super elongation complexes at the HIV promoter.
Elife, 3, 2014
5L2W
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The X-ray co-crystal structure of human CDK2/CyclinE and Dinaciclib.
分子名称: 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1, ...
著者Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A.
登録日2016-08-02
公開日2016-08-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance.
Mol.Cancer Ther., 15, 2016
7EGC
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p53-bound TFIID-based holo PIC on HDM2 promoter
分子名称: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
著者Chen, X, Wu, Z, Hou, H, Qi, Y, Wang, X, Li, J, Xu, Y.
登録日2021-03-24
公開日2021-05-12
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural insights into preinitiation complex assembly on core promoters.
Science, 372, 2021
7ENA
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BU of 7ena by Molmil
TFIID-based PIC-Mediator holo-complex in pre-assembled state (pre-hPIC-MED)
分子名称: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
著者Chen, X, Qi, Y, Wang, X, Wu, Z, Yin, X, Li, J, Liu, W, Xu, Y.
登録日2021-04-16
公開日2021-05-26
最終更新日2021-06-16
実験手法ELECTRON MICROSCOPY (4.07 Å)
主引用文献Structures of the human Mediator and Mediator-bound preinitiation complex.
Science, 372, 2021
7ENC
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TFIID-based PIC-Mediator holo-complex in fully-assembled state (hPIC-MED)
分子名称: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
著者Chen, X, Qi, Y, Wang, X, Wu, Z, Yin, X, Li, J, Liu, W, Xu, Y.
登録日2021-04-16
公開日2021-05-26
最終更新日2021-06-16
実験手法ELECTRON MICROSCOPY (4.13 Å)
主引用文献Structures of the human Mediator and Mediator-bound preinitiation complex.
Science, 372, 2021
6CKX
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Structure of CDK12/CycK in complex with a small molecule inhibitor N-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N-((1r,4r)-4-(quinazolin-2-ylamino)cyclohexyl)acetamide
分子名称: Cyclin-K, Cyclin-dependent kinase 12, MAGNESIUM ION, ...
著者Klein, M.G.
登録日2018-03-01
公開日2018-08-29
最終更新日2018-09-26
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of 3-Benzyl-1-( trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-arylurea Derivatives as Novel and Selective Cyclin-Dependent Kinase 12 (CDK12) Inhibitors.
J. Med. Chem., 61, 2018
6CYT
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BU of 6cyt by Molmil
HIV-1 TAR loop in complex with Tat:AFF4:P-TEFb
分子名称: AF4/FMR2 family member 4, Cyclin-T1, Cyclin-dependent kinase 9, ...
著者Schulze Gahmen, U, Hurley, J.H.
登録日2018-04-06
公開日2018-12-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural mechanism for HIV-1 TAR loop recognition by Tat and the super elongation complex.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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
6B3E
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Crystal structure of human CDK12/CyclinK in complex with an inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-ol, Cyclin-K, ...
著者Ferguson, A.D.
登録日2017-09-21
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Structure-Based Design of Selective Noncovalent CDK12 Inhibitors.
ChemMedChem, 13, 2018
5LQF
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CDK1/CyclinB1/CKS2 in complex with NU6102
分子名称: Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ...
著者Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B.J, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E, Newell, D.R, Turner, D.M, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Endicott, J.A, Cano, C.
登録日2016-08-17
公開日2017-01-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines.
J. Med. Chem., 60, 2017
5ACB
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Crystal Structure of the Human Cdk12-Cyclink Complex
分子名称: CYCLIN-DEPENDENT KINASE 12, CYCLIN-K, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide
著者Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Mackenzie, A, Goubin, S, Strain-Damerell, C, Mahajan, P, Tallant, C, Chalk, R, Wiggers, H, Kopec, J, Fitzpatrick, F, Burgess-Brown, N, Carpenter, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2015-08-14
公開日2016-06-15
最終更新日2016-10-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Covalent Targeting of Remote Cysteine Residues to Develop Cdk12 and Cdk13 Inhibitors.
Nat.Chem.Biol., 12, 2016
5LMK
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Structure of phopsho-CDK2-cyclin A in complex with an ATP-competitive inhibitor
分子名称: 4-[4-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide, Cyclin-A2, Cyclin-dependent kinase 2, ...
著者Echalier, A.
登録日2016-08-01
公開日2017-01-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Explicit treatment of active-site waters enhances quantum mechanical/implicit solvent scoring: Inhibition of CDK2 by new pyrazolo[1,5-a]pyrimidines.
Eur J Med Chem, 126, 2016
5BNJ
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CDK8/CYCC IN COMPLEX WITH 8-{3-Chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)-phenyl]-pyridin- 4-yl}-2,8-diaza-spiro[4.5]decan-1-one
分子名称: 8-{3-chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyridin-4-yl}-2,8-diazaspiro[4.5]decan-1-one, Cyclin-C, Cyclin-dependent kinase 8, ...
著者Musil, D, Blagg, J, Wienke, D.
登録日2015-05-26
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献A selective chemical probe for exploring the role of CDK8 and CDK19 in human disease.
Nat.Chem.Biol., 11, 2015
3BHT
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Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor meriolin 3
分子名称: 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, Cell division protein kinase 2, Cyclin-A2, ...
著者Echalier, A, Bettayeb, K, Ferandin, Y, Lozach, O, Clement, M, Valette, A, Liger, F, Marquet, B, Morris, J.C, Endicott, J.A, Joseph, B, Meijer, L.
登録日2007-11-29
公開日2008-02-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases
Cancer Res., 67, 2007
3BHV
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Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor variolin B
分子名称: 9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol, Cell division protein kinase 2, Cyclin-A2, ...
著者Echalier, A, Bettayeb, K, Ferandin, Y, Lozach, O, Clement, M, Valette, A, Liger, F, Marquet, B, Morris, J.C, Endicott, J.A, Joseph, B, Meijer, L.
登録日2007-11-29
公開日2008-02-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases
Cancer Res., 67, 2007
3BHU
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Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor meriolin 5
分子名称: 4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, Cell division protein kinase 2, Cyclin-A2, ...
著者Echalier, A, Bettayeb, K, Ferandin, Y, Lozach, O, Clement, M, Valette, A, Liger, F, Marquet, B, Morris, J.C, Endicott, J.A, Joseph, B, Meijer, L.
登録日2007-11-29
公開日2008-02-12
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases
Cancer Res., 67, 2007

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