6CYT
 
 | | HIV-1 TAR loop in complex with Tat:AFF4:P-TEFb | | Descriptor: | AF4/FMR2 family member 4, Cyclin-T1, Cyclin-dependent kinase 9, ... | | Authors: | Schulze Gahmen, U, Hurley, J.H. | | Deposit date: | 2018-04-06 | | Release date: | 2018-12-12 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural mechanism for HIV-1 TAR loop recognition by Tat and the super elongation complex.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8K5R
 | | CDK9/cyclin T1 in complex with KB-0742 | | Descriptor: | (1S,3S)-N3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine, Cyclin-T1, Cyclin-dependent kinase 9 | | Authors: | Zhou, M, Li, H, Gao, H, Trotter, B.W, Freeman, D. | | Deposit date: | 2023-07-24 | | Release date: | 2023-12-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.751 Å) | | Cite: | Discovery of KB-0742, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of CDK9 for MYC-Dependent Cancers.
J.Med.Chem., 66, 2023
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6W9E
 | | Crystal Structure of Human CDK9/cyclinT1 in complex with MC180295 | | Descriptor: | (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, ... | | Authors: | Zhang, P, Wu, J. | | Deposit date: | 2020-03-22 | | Release date: | 2021-09-01 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Comparative Modeling of CDK9 Inhibitors to Explore Selectivity and Structure-Activity Relationships
To Be Published
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5L1Z
 | | TAR complex with HIV-1 Tat-AFF4-P-TEFb | | Descriptor: | AF4/FMR2 family member 4, Cyclin-T1, Cyclin-dependent kinase 9, ... | | Authors: | Schulze-Gahmen, U, Hurley, J. | | Deposit date: | 2016-07-29 | | Release date: | 2016-10-26 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (5.9 Å) | | Cite: | 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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6GZH
 | | Crystal Structure of Human CDK9/cyclinT1 with A86 | | Descriptor: | Cyclin-T1, Cyclin-dependent kinase 9, GLYCEROL, ... | | Authors: | Ben-neriah, Y, Venkatachalam, A, Minzel, W, Fink, A, Snir-Alkalay, I, Vacca, J. | | Deposit date: | 2018-07-04 | | Release date: | 2018-08-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | Small Molecules Co-targeting CKI alpha and the Transcriptional Kinases CDK7/9 Control AML in Preclinical Models.
Cell, 175, 2018
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4IMY
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6Z45
 | | CDK9-Cyclin-T1 complex bound by compound 24 | | Descriptor: | (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, ... | | Authors: | Ferguson, A, Collie, G.W. | | Deposit date: | 2020-05-22 | | Release date: | 2020-12-23 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.37 Å) | | Cite: | 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
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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 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structure of CDK9/cyclin T1 in complex with inhibitor
To Be Published
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7NWK
 | | Crystal structure of CDK9-Cyclin T1 bound by compound 6 | | Descriptor: | Cyclin-T1, Cyclin-dependent kinase 9, N-((1R,3R)-3-(7-(4-fluoro-2-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide | | Authors: | Collie, G.W, Ferguson, A.D. | | Deposit date: | 2021-03-16 | | Release date: | 2021-10-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Discovery of a Series of 7-Azaindoles as Potent and Highly Selective CDK9 Inhibitors for Transient Target Engagement.
J.Med.Chem., 64, 2021
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2PK2
 | | Cyclin box structure of the P-TEFb subunit Cyclin T1 derived from a fusion complex with EIAV Tat | | Descriptor: | Cyclin-T1, Protein Tat | | Authors: | Anand, K, Schulte, A, Fujinaga, K, Scheffzek, K, Geyer, M. | | Deposit date: | 2007-04-17 | | Release date: | 2007-07-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Cyclin Box Structure of the P-TEFb Subunit Cyclin T1 Derived from a Fusion Complex with EIAV Tat.
J.Mol.Biol., 370, 2007
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4BCG
 | | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | | Descriptor: | 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1, ... | | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | | Deposit date: | 2012-10-02 | | Release date: | 2013-04-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.085 Å) | | Cite: | Substituted 4-(Thiazol-5-Yl)-2-(Phenylamino)Pyrimidines are Highly Active Cdk9 Inhibitors: Synthesis, X-Ray Crystal Structure, Sar and Anti-Cancer Activities.
J.Med.Chem., 56, 2013
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4OR5
 | | Crystal structure of HIV-1 Tat complexed with human P-TEFb and AFF4 | | Descriptor: | AF4/FMR2 family member 4, Cyclin-T1, Cyclin-dependent kinase 9, ... | | Authors: | Gu, J, Babayeva, N.D, Suwa, Y, Baranovskiy, A.G, Price, D.H, Tahirov, T.H. | | Deposit date: | 2014-02-10 | | Release date: | 2014-04-16 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of HIV-1 Tat complexed with human P-TEFb and AFF4.
Cell Cycle, 13, 2014
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4OGR
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3BLQ
 | | Crystal Structure of Human CDK9/cyclinT1 in Complex with ATP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, Cell division protein kinase 9, ... | | Authors: | Baumli, S, Lolli, G, Lowe, E.D, Johnson, L.N. | | Deposit date: | 2007-12-11 | | Release date: | 2008-07-01 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation
Embo J., 27, 2008
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3TN8
 | | CDK9/cyclin T in complex with CAN508 | | Descriptor: | 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL, Cyclin-T1, Cyclin-dependent kinase 9, ... | | Authors: | Baumli, S, Hole, A.J, Endicott, J.E. | | Deposit date: | 2011-09-01 | | Release date: | 2012-02-15 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | The CDK9 C-helix Exhibits Conformational Plasticity That May Explain the Selectivity of CAN508.
Acs Chem.Biol., 7, 2012
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3BLH
 | | Crystal Structure of Human CDK9/cyclinT1 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein kinase 9, Cyclin-T1 | | Authors: | Baumli, S, Lolli, G, Lowe, E.D, Johnson, L.N. | | Deposit date: | 2007-12-11 | | Release date: | 2008-07-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation
Embo J., 27, 2008
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3BLR
 | | Crystal Structure of Human CDK9/cyclinT1 in complex with Flavopiridol | | Descriptor: | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, Cell division protein kinase 9, Cyclin-T1, ... | | Authors: | Baumli, S, Lolli, G, Lowe, E.D, Johnson, L.N. | | Deposit date: | 2007-12-11 | | Release date: | 2008-07-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation
Embo J., 27, 2008
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3TNI
 | | structure of CDK9/cyclin T F241L | | Descriptor: | Cyclin-T1, Cyclin-dependent kinase 9 | | Authors: | Baumli, S, Hole, A.J, Endicott, J.A. | | Deposit date: | 2011-09-01 | | Release date: | 2012-02-15 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.234 Å) | | Cite: | The CDK9 C-helix Exhibits Conformational Plasticity That May Explain the Selectivity of CAN508.
Acs Chem.Biol., 7, 2012
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3TNH
 | | CDK9/cyclin T in complex with CAN508 | | Descriptor: | 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL, Cyclin-T1, Cyclin-dependent kinase 9 | | Authors: | Baumli, S, Hole, A.J, Endicott, J.A. | | Deposit date: | 2011-09-01 | | Release date: | 2012-02-15 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (3.202 Å) | | Cite: | The CDK9 C-helix Exhibits Conformational Plasticity That May Explain the Selectivity of CAN508.
Acs Chem.Biol., 7, 2012
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3LQ5
 | | Structure of CDK9/CyclinT in complex with S-CR8 | | Descriptor: | (2S)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol, Cell division protein kinase 9, Cyclin-T1 | | Authors: | Hole, A.J, Endicott, J.A, Baumli, S. | | Deposit date: | 2010-02-08 | | Release date: | 2011-01-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | CDK Inhibitors Roscovitine and CR8 Trigger Mcl-1 Down-Regulation and Apoptotic Cell Death in Neuroblastoma Cells
Genes Cancer, 1, 2010
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3MY1
 | | Structure of CDK9/cyclinT1 in complex with DRB | | Descriptor: | 5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole, Cell division protein kinase 9, Cyclin-T1, ... | | Authors: | Baumli, S, Johnson, L.N. | | Deposit date: | 2010-05-09 | | Release date: | 2010-09-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Halogen bonds form the basis for selective P-TEFb inhibition by DRB
Chem.Biol., 17, 2010
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3MIA
 | | Crystal structure of HIV-1 Tat complexed with ATP-bound human P-TEFb | | Descriptor: | Cell division protein kinase 9, Cyclin-T1, MAGNESIUM ION, ... | | Authors: | Tahirov, T.H, Babayeva, N.D, Varzavand, K, Cooper, J.J, Sedore, S.C, Price, D.H. | | Deposit date: | 2010-04-09 | | Release date: | 2010-06-09 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of HIV-1 Tat complexed with human P-TEFb.
Nature, 465, 2010
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3MI9
 | | Crystal structure of HIV-1 Tat complexed with human P-TEFb | | Descriptor: | Cell division protein kinase 9, Cyclin-T1, Protein Tat, ... | | Authors: | Tahirov, T.H, Babayeva, N.D, Varzavand, K, Cooper, J.J, Sedore, S.C, Price, D.H. | | Deposit date: | 2010-04-09 | | Release date: | 2010-06-09 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of HIV-1 Tat complexed with human P-TEFb.
Nature, 465, 2010
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4BCJ
 | | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | | Descriptor: | 2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1 | | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | | Deposit date: | 2012-10-02 | | Release date: | 2013-01-09 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.162 Å) | | Cite: | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013
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4BCF
 | | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | | Descriptor: | 2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1 | | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | | Deposit date: | 2012-10-02 | | Release date: | 2013-01-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.011 Å) | | Cite: | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013
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