7ACK
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![BU of 7ack by Molmil](/molmil-images/mine/7ack) | CDK2/cyclin A2 in complex with an imidazo[1,2-c]pyrimidin-5-one inhibitor | Descriptor: | 1,2-ETHANEDIOL, 8-cyclohexyl-6~{H}-imidazo[1,2-c]pyrimidin-5-one, Cyclin-A2, ... | Authors: | Skerlova, J, Pachl, P, Rezacova, P. | Deposit date: | 2020-09-11 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Imidazo[1,2-c]pyrimidin-5(6H)-one inhibitors of CDK2: Synthesis, kinase inhibition and co-crystal structure. Eur.J.Med.Chem., 216, 2021
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7MKX
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![BU of 7mkx by Molmil](/molmil-images/mine/7mkx) | Crystal Structure Analysis of human CDK2 and CCNA2 complex | Descriptor: | 2-[(5-bromo-2-{4-[(cyanomethyl)sulfamoyl]anilino}pyrimidin-4-yl)amino]-6-fluorobenzamide, Cyclin-A2, Cyclin-dependent kinase 2 | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2021-04-27 | Release date: | 2022-11-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Crystal Structure Analysis of human CDK2 and CCNA2 complex To Be Published
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6QTJ
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![BU of 6qtj by Molmil](/molmil-images/mine/6qtj) | Crystal structure of human CDK8/CYCC in complex with BI 919811 | Descriptor: | Cyclin-C, Cyclin-dependent kinase 8, ~{N},~{N}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide | Authors: | Boettcher, J. | Deposit date: | 2019-02-25 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance. Mol.Cancer Ther., 19, 2020
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6QTG
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![BU of 6qtg by Molmil](/molmil-images/mine/6qtg) | Crystal structure of human CDK8/CYCC in complex with BI-1347 | Descriptor: | 2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{N},~{N}-dimethyl-ethanamide, Cyclin-C, Cyclin-dependent kinase 8 | Authors: | Boettcher, J. | Deposit date: | 2019-02-25 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance. Mol.Cancer Ther., 19, 2020
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7NJ0
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![BU of 7nj0 by Molmil](/molmil-images/mine/7nj0) | CryoEM structure of the human Separase-Cdk1-cyclin B1-Cks1 complex | Descriptor: | Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 1, G2/mitotic-specific cyclin-B1,G2/mitotic-specific cyclin-B1, ... | Authors: | Yu, J, Raia, P, Ghent, C.M, Raisch, T, Sadian, Y, Barford, D, Raunser, S, Morgan, D.O, Boland, A. | Deposit date: | 2021-02-14 | Release date: | 2021-08-04 | Last modified: | 2021-08-18 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis of human separase regulation by securin and CDK1-cyclin B1. Nature, 596, 2021
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8H6T
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![BU of 8h6t by Molmil](/molmil-images/mine/8h6t) | Complex structure of CDK2/Cyclin E1 and a potent, selective small molecule inhibitor | Descriptor: | (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 | Authors: | Ren, X. | Deposit date: | 2022-10-18 | Release date: | 2023-02-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design. Acs Med.Chem.Lett., 14, 2023
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8H6P
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![BU of 8h6p by Molmil](/molmil-images/mine/8h6p) | Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor | Descriptor: | (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 | Authors: | Ren, X. | Deposit date: | 2022-10-18 | Release date: | 2023-02-22 | Last modified: | 2023-03-29 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design. Acs Med.Chem.Lett., 14, 2023
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8H4R
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![BU of 8h4r by Molmil](/molmil-images/mine/8h4r) | The Crystal Structure of CDK3 and CyclinE1 Complex with Dinaciclib from Biortus | Descriptor: | 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, ... | Authors: | Gui, W, Wang, F, Cheng, W, Gao, J, Huang, Y, Ouyang, Z. | Deposit date: | 2022-10-11 | Release date: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | The Crystal Structure of CDK3 and CyclinE1 Complex with Dinaciclib from Biortus To Be Published
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7KPX
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![BU of 7kpx by Molmil](/molmil-images/mine/7kpx) | Structure of the yeast CKM | Descriptor: | Mediator of RNA polymerase II transcription subunit 12, Mediator of RNA polymerase II transcription subunit 13, Meiotic mRNA stability protein kinase SSN3, ... | Authors: | Li, Y.C, Chao, T.C, Kim, H.J, Cholko, T, Chen, S.F, Nakanishi, K, Chang, C.E, Murakami, K, Garcia, B.A, Boyer, T.G, Tsai, K.L. | Deposit date: | 2020-11-12 | Release date: | 2021-01-27 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structure and noncanonical Cdk8 activation mechanism within an Argonaute-containing Mediator kinase module. Sci Adv, 7, 2021
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7B5O
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![BU of 7b5o by Molmil](/molmil-images/mine/7b5o) | Cryo-EM structure of the human CAK bound to ICEC0942 at 2.5 Angstroms resolution | Descriptor: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | Authors: | Greber, B.J, Remis, J, Ali, S, Nogales, E. | Deposit date: | 2020-12-05 | Release date: | 2021-02-10 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | 2.5 angstrom -resolution structure of human CDK-activating kinase bound to the clinical inhibitor ICEC0942. Biophys.J., 120, 2021
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7B5R
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![BU of 7b5r by Molmil](/molmil-images/mine/7b5r) | Ubiquitin ligation to F-box protein substrates by SCF-RBR E3-E3 super-assembly: CUL1-RBX1-SKP1-SKP2-CKSHS1-Cyclin A-CDK2-p27 | Descriptor: | Cullin-1, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Horn-Ghetko, D, Prabu, J.R, Schulman, B.A. | Deposit date: | 2020-12-07 | Release date: | 2021-02-10 | Last modified: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Ubiquitin ligation to F-box protein targets by SCF-RBR E3-E3 super-assembly. Nature, 590, 2021
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7B5Q
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![BU of 7b5q by Molmil](/molmil-images/mine/7b5q) | Cryo-EM structure of the human CAK bound to ICEC0942 (PHENIX-OPLS3e) | Descriptor: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | Authors: | Greber, B.J, Remis, J, Ali, S, Nogales, E. | Deposit date: | 2020-12-05 | Release date: | 2021-02-10 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | 2.5 angstrom -resolution structure of human CDK-activating kinase bound to the clinical inhibitor ICEC0942. Biophys.J., 120, 2021
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7KPV
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![BU of 7kpv by Molmil](/molmil-images/mine/7kpv) | Structure of kinase and Central lobes of yeast CKM | Descriptor: | Mediator of RNA polymerase II transcription subunit 12, Mediator of RNA polymerase II transcription subunit 13, Meiotic mRNA stability protein kinase SSN3, ... | Authors: | Li, Y.C, Chao, T.C, Kim, H.J, Cholko, T, Chen, S.F, Nakanishi, K, Chang, C.E, Murakami, K, Garcia, B.A, Boyer, T.G, Tsai, K.L. | Deposit date: | 2020-11-12 | Release date: | 2021-01-27 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure and noncanonical Cdk8 activation mechanism within an Argonaute-containing Mediator kinase module. Sci Adv, 7, 2021
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6R3S
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![BU of 6r3s by Molmil](/molmil-images/mine/6r3s) | CRYSTAL STRUCTURE OF CDK8-CycC IN COMPLEX WITH COMPOUND 1 | Descriptor: | 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, ... | Authors: | Boettcher, J. | Deposit date: | 2019-03-21 | Release date: | 2020-04-08 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance. Mol.Cancer Ther., 19, 2020
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7B5L
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![BU of 7b5l by Molmil](/molmil-images/mine/7b5l) | Ubiquitin ligation to F-box protein substrates by SCF-RBR E3-E3 super-assembly: NEDD8-CUL1-RBX1-SKP1-SKP2-CKSHS1-Cyclin A-CDK2-p27-UBE2L3~Ub~ARIH1. Transition State 1 | Descriptor: | 5-azanylpentan-2-one, Cullin-1, Cyclin-A2, ... | Authors: | Horn-Ghetko, D, Prabu, J.R, Schulman, B.A. | Deposit date: | 2020-12-04 | Release date: | 2021-02-10 | Last modified: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Ubiquitin ligation to F-box protein targets by SCF-RBR E3-E3 super-assembly. Nature, 590, 2021
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7JV7
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![BU of 7jv7 by Molmil](/molmil-images/mine/7jv7) | Crystal Structure of the yeast RNA Pol II CTD kinase CTDK-1 complex | Descriptor: | CITRATE ANION, CTD kinase subunit alpha, CTD kinase subunit beta, ... | Authors: | Xie, Y, Ren, Y. | Deposit date: | 2020-08-20 | Release date: | 2021-01-27 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.850553 Å) | Cite: | Structure and activation mechanism of the yeast RNA Pol II CTD kinase CTDK-1 complex. Proc.Natl.Acad.Sci.USA, 118, 2021
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7KJS
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![BU of 7kjs by Molmil](/molmil-images/mine/7kjs) | Crystal structure of CDK2/cyclin E in complex with PF-06873600 | Descriptor: | 6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | Authors: | McTigue, M.A, He, Y, Ferre, R.A. | Deposit date: | 2020-10-26 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.187 Å) | Cite: | Discovery of PF-06873600, a CDK2/4/6 Inhibitor for the Treatment of Cancer. J.Med.Chem., 64, 2021
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7NVR
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![BU of 7nvr by Molmil](/molmil-images/mine/7nvr) | Human Mediator with RNA Polymerase II Pre-initiation complex | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | Authors: | Rengachari, S, Schilbach, S, Aibara, S, Cramer, P. | Deposit date: | 2021-03-15 | Release date: | 2021-05-05 | Last modified: | 2021-06-16 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structures of mammalian RNA polymerase II pre-initiation complexes. Nature, 594, 2021
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7NXJ
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![BU of 7nxj by Molmil](/molmil-images/mine/7nxj) | Crystal structure of human Cdk13/Cyclin K in complex with the inhibitor THZ531 | Descriptor: | Cyclin-K, Cyclin-dependent kinase 13, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide | Authors: | Anand, K, Greifenberg, A.K, Kaltheuner, I.H, Geyer, M. | Deposit date: | 2021-03-18 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma. Eur.J.Med.Chem., 221, 2021
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7NXK
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![BU of 7nxk by Molmil](/molmil-images/mine/7nxk) | Crystal structure of human Cdk12/Cyclin K in complex with the inhibitor BSJ-01-175 | Descriptor: | (E)-N-[4-[(1R,3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide, Cyclin-K, Cyclin-dependent kinase 12 | Authors: | Anand, K, Dust, S, Kaltheuner, I.H, Geyer, M. | Deposit date: | 2021-03-18 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma. Eur.J.Med.Chem., 221, 2021
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7B7S
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![BU of 7b7s by Molmil](/molmil-images/mine/7b7s) | CDK2/cyclin A2 in complex with 3H-pyrazolo[4,3-f]quinoline-based derivative HSD1368 | Descriptor: | 7-(3-(trifluoromethyl)-1H-pyrazol-4yl)-3,8,10,11-tetrahydropyrazolo[4,3-f]thiopyrano[3,4-c]quinoline 9-oxide, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Djukic, S, Skerlova, J, Rezacova, P. | Deposit date: | 2020-12-11 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | 3 H -Pyrazolo[4,3- f ]quinoline-Based Kinase Inhibitors Inhibit the Proliferation of Acute Myeloid Leukemia Cells In Vivo. J.Med.Chem., 64, 2021
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7KUE
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![BU of 7kue by Molmil](/molmil-images/mine/7kue) | CryoEM structure of Yeast TFIIK (Kin28/Ccl1/Tfb3) Complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Cyclin CCL1, ... | Authors: | van Eeuwen, T, Murakami, K, Li, T, Tsai, K.L. | Deposit date: | 2020-11-24 | Release date: | 2021-04-28 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure of TFIIK for phosphorylation of CTD of RNA polymerase II. Sci Adv, 7, 2021
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6RIJ
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![BU of 6rij by Molmil](/molmil-images/mine/6rij) | |
8I0L
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![BU of 8i0l by Molmil](/molmil-images/mine/8i0l) | Structure of CDK9/cyclin T1 in complex with inhibitor | Descriptor: | 2-[(4-azanylcyclohexyl)amino]-7-cyclopentyl-~{N},~{N}-dimethyl-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Cyclin-T1, Cyclin-dependent kinase 9 | Authors: | Jiang, C, Ye, Y, Huang, Y. | Deposit date: | 2023-01-11 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structure of CDK9/cyclin T1 in complex with inhibitor To Be Published
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7LBM
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![BU of 7lbm by Molmil](/molmil-images/mine/7lbm) | Structure of the human Mediator-bound transcription pre-initiation complex | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | Authors: | Abdella, R, Talyzina, A, He, Y. | Deposit date: | 2021-01-08 | Release date: | 2021-03-24 | Last modified: | 2021-04-14 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Structure of the human Mediator-bound transcription preinitiation complex. Science, 372, 2021
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