8VQ3
 
 | | CDK2-CyclinE1 in complex with allosteric inhibitor I-198. | | 分子名称: | (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | 著者 | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | | 登録日 | 2024-01-17 | | 公開日 | 2024-01-31 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
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5CYI
 | | CDK2/Cyclin A covalent complex with 6-(cyclohexylmethoxy)-N-(4-(vinylsulfonyl)phenyl)-9H-purin-2-amine (NU6300) | | 分子名称: | 6-(cyclohexylmethoxy)-N-[4-(ethylsulfonyl)phenyl]-9H-purin-2-amine, Cyclin-A2, Cyclin-dependent kinase 2 | | 著者 | Anscombe, E, Meschini, E, Vidal, R.M, Martin, M.P, Staunton, D, Geitmann, M, Danielson, U.H, Stanley, W.A, Wang, L.Z, Reuillon, T, Golding, B.T, Cano, C, Newell, D.R, Noble, M.E.M, Wedge, S.R, Endicott, J.A, Griffin, R.J. | | 登録日 | 2015-07-30 | | 公開日 | 2015-09-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Identification and Characterization of an Irreversible Inhibitor of CDK2.
Chem.Biol., 22, 2015
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6P3W
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6P8F
 | | Crystal structure of CDK4 in complex with CyclinD1 and P27 | | 分子名称: | Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1B, G1/S-specific cyclin-D1 | | 著者 | Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M. | | 登録日 | 2019-06-07 | | 公開日 | 2019-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | | 主引用文献 | p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition.
Science, 366, 2019
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8ROZ
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3RGF
 | | Crystal Structure of human CDK8/CycC | | 分子名称: | 1,2-ETHANEDIOL, 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Cyclin-C, ... | | 著者 | Schneider, E.V, Boettcher, J, Blaesse, M, Huber, R, Maskos, K. | | 登録日 | 2011-04-08 | | 公開日 | 2011-08-10 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The Structure of CDK8/CycC Implicates Specificity in the CDK/Cyclin Family and Reveals Interaction with a Deep Pocket Binder.
J.Mol.Biol., 412, 2011
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5CEI
 | | Crystal structure of CDK8:Cyclin C complex with compound 22 | | 分子名称: | 1,2-ETHANEDIOL, 4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide, Cyclin-C, ... | | 著者 | Kiefer, J.R, Schneider, E.V, Maskos, K, Koehler, M.F.T. | | 登録日 | 2015-07-06 | | 公開日 | 2016-02-10 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Development of a Potent, Specific CDK8 Kinase Inhibitor Which Phenocopies CDK8/19 Knockout Cells.
Acs Med.Chem.Lett., 7, 2016
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3QHR
 | | Structure of a pCDK2/CyclinA transition-state mimic | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CDK2 substrate peptide: PKTPKKAKKL, CHLORIDE ION, ... | | 著者 | Young, M.A, Jacobsen, D.M, Bao, Z.Q. | | 登録日 | 2011-01-26 | | 公開日 | 2011-05-25 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Briefly Bound to Activate: Transient Binding of a Second Catalytic Magnesium Activates the Structure and Dynamics of CDK2 Kinase for Catalysis.
Structure, 19, 2011
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5EFQ
 | | Crystal structure of human Cdk13/Cyclin K in complex with ADP-aluminum fluoride | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Cyclin-K, ... | | 著者 | Hoenig, D, Greifenberg, A.K, Anand, K, Geyer, M. | | 登録日 | 2015-10-24 | | 公開日 | 2015-12-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural and Functional Analysis of the Cdk13/Cyclin K Complex.
Cell Rep, 14, 2016
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4OGR
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4II5
 | | Structure of PCDK2/CYCLINA bound to ADP and 1 MAGNESIUM ION | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ... | | 著者 | Jacobsen, D.M, Bao, Z.-Q, O'Brien, P.J, Brooks III, C.L, Young, M.A. | | 登録日 | 2012-12-19 | | 公開日 | 2013-01-23 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Price to be paid for two-metal catalysis: Magnesium ions that accelerate chemistry unavoidably limit product release from a PROTEIN KINASE
J.Am.Chem.Soc., 134, 2012
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6XD3
 | | Structure of the human CAK in complex with THZ1 | | 分子名称: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | 著者 | Greber, B.J, Perez-Bertoldi, J.M, Lim, K, Iavarone, A.T, Toso, D.B, Nogales, E. | | 登録日 | 2020-06-09 | | 公開日 | 2020-09-09 | | 最終更新日 | 2020-09-30 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | The cryoelectron microscopy structure of the human CDK-activating kinase.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6XBZ
 | | Structure of the human CDK-activating kinase | | 分子名称: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | 著者 | Greber, B.J, Perez-Bertoldi, J.M, Lim, K, Iavarone, A.T, Toso, D.B, Nogales, E. | | 登録日 | 2020-06-07 | | 公開日 | 2020-09-09 | | 最終更新日 | 2020-09-30 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | The cryoelectron microscopy structure of the human CDK-activating kinase.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5L1Z
 | | 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
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6XI8
 | | 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
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5L2W
 | | 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
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7EGB
 | | 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
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7EGC
 | | 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
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7ENA
 | | 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
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7ENC
 | | 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
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6W9E
 | | Crystal Structure of Human CDK9/cyclinT1 in complex with MC180295 | | 分子名称: | (4-amino-2-{[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone, (4-amino-2-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone, Cyclin-T1, ... | | 著者 | Zhang, P, Wu, J. | | 登録日 | 2020-03-22 | | 公開日 | 2021-09-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Comparative Modeling of CDK9 Inhibitors to Explore Selectivity and Structure-Activity Relationships
To Be Published
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5LMK
 | | 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
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5LQF
 | | 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
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5ACB
 | | 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
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4YC3
 | | CDK1/CyclinB1/CKS2 Apo | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, ... | | 著者 | Brown, N.R, Korolchuk, S, Martin, M.P, Stanley, W, Moukhametzianov, R, Noble, M.E.M, Endicott, J.A. | | 登録日 | 2015-02-19 | | 公開日 | 2016-04-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | CDK1 structures reveal conserved and unique features of the essential cell cycle CDK.
Nat Commun, 6, 2015
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