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7SJ3
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BU of 7sj3 by Molmil
Structure of CDK4-Cyclin D3 bound to abemaciclib
Descriptor: Cyclin-dependent kinase 4, G1/S-specific cyclin-D3, N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine
Authors:Hilgers, M.T, Pelletier, L.A.
Deposit date:2021-10-15
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structure of CDK4-Cyclin D3 bound to abemaciclib
To Be Published
1E9H
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BU of 1e9h by Molmil
Thr 160 phosphorylated CDK2 - Human cyclin A3 complex with the inhibitor indirubin-5-sulphonate bound
Descriptor: 2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID, CELL DIVISION PROTEIN KINASE 2, CYCLIN A3
Authors:Davies, T.G, Tunnah, P, Noble, M.E.M, Endicott, J.A.
Deposit date:2000-10-16
Release date:2001-10-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inhibitor Binding to Active and Inactive Cdk2: The Crystal Structure of Cdk2-Cyclin A/Indirubin-5-Sulphonate
Structure, 9, 2001
4NST
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BU of 4nst by Molmil
Crystal structure of human Cdk12/Cyclin K in complex with ADP-aluminum fluoride
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, ...
Authors:Boesken, C.A, Farnung, L, Anand, K, Geyer, M.
Deposit date:2013-11-29
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure and substrate specificity of human Cdk12/Cyclin K.
Nat Commun, 5, 2014
4OR5
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BU of 4or5 by Molmil
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:2014-06-11
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
1QMZ
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BU of 1qmz by Molmil
PHOSPHORYLATED CDK2-CYCLYIN A-SUBSTRATE PEPTIDE COMPLEX
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CELL DIVISION PROTEIN KINASE 2, G2/MITOTIC-SPECIFIC CYCLIN A, ...
Authors:Brown, N.R, Noble, M.E.M, Endicott, J.A, Johnson, L.N.
Deposit date:1999-10-11
Release date:1999-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structural Basis for Specificity of Substrate and Recruitment Peptides for Cyclin-Dependent Kinases
Nat.Cell Biol., 1, 1999
4OGR
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BU of 4ogr by Molmil
crystal structure of P-TEFb complex with AFF4 and Tat
Descriptor: ADENOSINE, AF4/FMR2 family member 4, Cyclin-T1, ...
Authors:Schulze-Gahmen, U, Alber, T.
Deposit date:2014-01-16
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:AFF4 binding to Tat-P-TEFb indirectly stimulates TAR recognition of super elongation complexes at the HIV promoter.
Elife, 3, 2014
4TTH
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BU of 4tth by Molmil
Crystal structure of a CDK6/Vcyclin complex with inhibitor bound
Descriptor: 9-cyclopentyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine, Cyclin homolog, Cyclin-dependent kinase 6
Authors:Piper, D.E, Walker, N, Wang, Z.
Deposit date:2014-06-20
Release date:2014-08-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of AMG 925, a FLT3 and CDK4 dual kinase inhibitor with preferential affinity for the activated state of FLT3.
J.Med.Chem., 57, 2014
1URC
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BU of 1urc by Molmil
Cyclin A binding groove inhibitor Ace-Arg-Lys-Leu-Phe-Gly
Descriptor: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, PEPTIDE INHIBITOR
Authors:Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P.
Deposit date:2003-10-28
Release date:2003-10-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design, synthesis, biological activity and structural analysis of cyclic peptide inhibitors targeting the substrate recruitment site of cyclin-dependent kinase complexes.
Org. Biomol. Chem., 2, 2004
1W98
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BU of 1w98 by Molmil
The structural basis of CDK2 activation by cyclin E
Descriptor: CELL DIVISION PROTEIN KINASE 2, G1/S-SPECIFIC CYCLIN E1
Authors:Lowe, E.D, Honda, R, Dubinina, E, Skamnaki, V, Cook, A, Johnson, L.N.
Deposit date:2004-10-07
Release date:2005-02-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Structure of Cyclin E1/Cdk2: Implications for Cdk2 Activation and Cdk2-Independent Roles
Embo J., 24, 2005
5XS2
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BU of 5xs2 by Molmil
CDK8-CYCC IN COMPLEX WITH COMPOUND 17:3-chloro-4-(4-pyridyl)-1H-pyrrole-2-carboxamide
Descriptor: 3-chloranyl-4-pyridin-4-yl-1H-pyrrole-2-carboxamide, Cyclin-C, Cyclin-dependent kinase 8, ...
Authors:Zhou, Z, Xu, Z.
Deposit date:2017-06-12
Release date:2017-08-09
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Discovery of potent and selective CDK8 inhibitors through FBDD approach
Bioorg. Med. Chem. Lett., 27, 2017
6W9E
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BU of 6w9e by Molmil
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:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Comparative Modeling of CDK9 Inhibitors to Explore Selectivity and Structure-Activity Relationships
To Be Published
5XQX
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BU of 5xqx by Molmil
Human CDK8-CYCC in complex with compound 4: N-methyl-4-(4-pyridyl)-1H-pyrrole-2-carboxamide
Descriptor: Cyclin-C, Cyclin-dependent kinase 8, GLYCEROL, ...
Authors:Zhou, Z, Xu, Z.H.
Deposit date:2017-06-07
Release date:2017-08-09
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of potent and selective CDK8 inhibitors through FBDD approach
Bioorg. Med. Chem. Lett., 27, 2017
5L1Z
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BU of 5l1z by Molmil
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:2023-10-04
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
5L2W
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BU of 5l2w by Molmil
The X-ray co-crystal structure of human CDK2/CyclinE and Dinaciclib.
Descriptor: 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, ...
Authors:Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A.
Deposit date:2016-08-02
Release date:2016-08-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance.
Mol.Cancer Ther., 15, 2016
6XD3
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BU of 6xd3 by Molmil
Structure of the human CAK in complex with THZ1
Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
Authors:Greber, B.J, Perez-Bertoldi, J.M, Lim, K, Iavarone, A.T, Toso, D.B, Nogales, E.
Deposit date:2020-06-09
Release date:2020-09-09
Last modified:2020-09-30
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The cryoelectron microscopy structure of the human CDK-activating kinase.
Proc.Natl.Acad.Sci.USA, 117, 2020
6XBZ
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BU of 6xbz by Molmil
Structure of the human CDK-activating kinase
Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
Authors:Greber, B.J, Perez-Bertoldi, J.M, Lim, K, Iavarone, A.T, Toso, D.B, Nogales, E.
Deposit date:2020-06-07
Release date:2020-09-09
Last modified:2020-09-30
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:The cryoelectron microscopy structure of the human CDK-activating kinase.
Proc.Natl.Acad.Sci.USA, 117, 2020
7EGB
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BU of 7egb by Molmil
TFIID-based holo PIC on SCP promoter
Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
Authors:Chen, X, Wu, Z, Hou, H, Qi, Y, Wang, X, Li, J, Xu, Y.
Deposit date:2021-03-24
Release date:2021-05-05
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into preinitiation complex assembly on core promoters.
Science, 372, 2021
7EGC
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BU of 7egc by Molmil
p53-bound TFIID-based holo PIC on HDM2 promoter
Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
Authors:Chen, X, Wu, Z, Hou, H, Qi, Y, Wang, X, Li, J, Xu, Y.
Deposit date:2021-03-24
Release date:2021-05-12
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite: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)
Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
Authors:Chen, X, Qi, Y, Wang, X, Wu, Z, Yin, X, Li, J, Liu, W, Xu, Y.
Deposit date:2021-04-16
Release date:2021-05-26
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (4.07 Å)
Cite:Structures of the human Mediator and Mediator-bound preinitiation complex.
Science, 372, 2021
7ENC
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BU of 7enc by Molmil
TFIID-based PIC-Mediator holo-complex in fully-assembled state (hPIC-MED)
Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
Authors:Chen, X, Qi, Y, Wang, X, Wu, Z, Yin, X, Li, J, Liu, W, Xu, Y.
Deposit date:2021-04-16
Release date:2021-05-26
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (4.13 Å)
Cite:Structures of the human Mediator and Mediator-bound preinitiation complex.
Science, 372, 2021
5LQF
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BU of 5lqf by Molmil
CDK1/CyclinB1/CKS2 in complex with NU6102
Descriptor: Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ...
Authors: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.
Deposit date:2016-08-17
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.06 Å)
Cite: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
5LMK
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BU of 5lmk by Molmil
Structure of phopsho-CDK2-cyclin A in complex with an ATP-competitive inhibitor
Descriptor: 4-[4-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide, Cyclin-A2, Cyclin-dependent kinase 2, ...
Authors:Echalier, A.
Deposit date:2016-08-01
Release date:2017-01-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
6XI8
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BU of 6xi8 by Molmil
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:2020-06-19
Release date:2021-04-28
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Structure of TFIIK for phosphorylation of CTD of RNA polymerase II.
Sci Adv, 7, 2021
6ATH
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BU of 6ath by Molmil
Cdk2/cyclin A/p27-KID-deltaC
Descriptor: Cyclin-A2, Cyclin-dependent kinase 2, Cyclin-dependent kinase inhibitor 1B, ...
Authors:White, S.W, Yun, M.
Deposit date:2017-08-29
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Dynamic anticipation by Cdk2/Cyclin A-bound p27 mediates signal integration in cell cycle regulation.
Nat Commun, 10, 2019
6B3E
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BU of 6b3e by Molmil
Crystal structure of human CDK12/CyclinK in complex with an inhibitor
Descriptor: 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, ...
Authors:Ferguson, A.D.
Deposit date:2017-09-21
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structure-Based Design of Selective Noncovalent CDK12 Inhibitors.
ChemMedChem, 13, 2018

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數據於2024-05-22公開中

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