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8VQ4
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CDK2-CyclinE1 in complex with allosteric inhibitor I-125A.
Descriptor: (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
Authors: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.
Deposit date:2024-01-17
Release date:2024-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
8VQ3
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CDK2-CyclinE1 in complex with allosteric inhibitor I-198.
Descriptor: (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
Authors: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.
Deposit date:2024-01-17
Release date:2024-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
8BZO
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BU of 8bzo by Molmil
Cryo-EM structure of CDK2-CyclinA in complex with p27 from the SCFSKP2 E3 ligase Complex
Descriptor: Cyclin-A2, Cyclin-dependent kinase 2, Cyclin-dependent kinase inhibitor 1B
Authors:Rowland, R.J, Salamina, M, Endicott, J.A, Noble, M.E.
Deposit date:2022-12-15
Release date:2023-06-28
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structure of SKP1-SKP2-CKS1 in complex with CDK2-cyclin A-p27KIP1.
Sci Rep, 13, 2023
8BYA
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BU of 8bya by Molmil
Cryo-EM structure of SKP1-SKP2-CKS1-CDK2-CyclinA-p27KIP1 Complex
Descriptor: Cyclin-A2, Cyclin-dependent kinase 2, Cyclin-dependent kinase inhibitor 1B, ...
Authors:Rowland, R.J, Salamina, M, Endicott, J.A, Noble, M.E.
Deposit date:2022-12-12
Release date:2023-06-28
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Cryo-EM structure of SKP1-SKP2-CKS1 in complex with CDK2-cyclin A-p27KIP1.
Sci Rep, 13, 2023
8H6P
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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
8H6T
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BU of 8h6t by Molmil
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
8H4R
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BU of 8h4r by Molmil
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
8B54
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CDK2/cyclin A2 in complex with pyrazolo[4,3-d]pyrimidine inhibitor LGR6768
Descriptor: 1,2-ETHANEDIOL, Cyclin-A2, Cyclin-dependent kinase 2, ...
Authors:Djukic, S, Skerlova, J, Rezacova, P.
Deposit date:2022-09-21
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Characterization of new highly selective pyrazolo[4,3-d]pyrimidine inhibitor of CDK7.
Biomed Pharmacother, 161, 2023
7XQK
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BU of 7xqk by Molmil
The Crystal Structure of CDK3 and CyclinE1 Complex from Biortus.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, G1/S-specific cyclin-E1, GLYCEROL, ...
Authors:Gui, W, Wang, F, Cheng, W, Gao, J, Huang, Y.
Deposit date:2022-05-07
Release date:2023-05-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The Crystal Structure of CDK3 and CyclinE1 Complex from Biortus.
To Be Published
7QHL
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BU of 7qhl by Molmil
Crystal structure of Cyclin-dependent kinase 2/cyclin A in complex with 3,5,7-Substituted pyrazolo[4,3-d]pyrimidine inhibitor 24
Descriptor: 1,2-ETHANEDIOL, 5-(2-amino-1-ethyl)thio-3-cyclobutyl-7-[4-(pyrazol-1-yl)benzyl]amino-1(2)H-pyrazolo[4,3-d]pyrimidine, Cyclin-A2, ...
Authors:Djukic, S, Skerlova, J, Rezacova, P.
Deposit date:2021-12-13
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:3,5,7-Substituted Pyrazolo[4,3- d ]Pyrimidine Inhibitors of Cyclin-Dependent Kinases and Cyclin K Degraders.
J.Med.Chem., 65, 2022
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
7MKX
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BU of 7mkx by Molmil
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
7LUO
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BU of 7luo by Molmil
N-terminus of Skp2 bound to Cyclin A
Descriptor: S-phase kinase-associated protein 2,Cyclin-A2, Skp2 Motif 1 uncharacterized fragment 1, Skp2 Motif 1 uncharacterized fragment 2
Authors:Kelso, S, Ceccarelli, D.F, Sicheri, F.
Deposit date:2021-02-22
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Bipartite binding of the N terminus of Skp2 to cyclin A.
Structure, 29, 2021
7NJ0
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BU of 7nj0 by Molmil
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
7B7S
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BU of 7b7s by Molmil
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
7B5R
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BU of 7b5r by Molmil
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
7B5L
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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
7KJS
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BU of 7kjs by Molmil
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
7ACK
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BU of 7ack by Molmil
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
6SG4
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BU of 6sg4 by Molmil
Structure of CDK2/cyclin A M246Q, S247EN
Descriptor: Cyclin-A2, Cyclin-dependent kinase 2
Authors:Salamina, M, Basle, A, Massa, B, Noble, M.E.M, Endicott, J.A.
Deposit date:2019-08-02
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Discriminative SKP2 Interactions with CDK-Cyclin Complexes Support a Cyclin A-Specific Role in p27KIP1 Degradation.
J.Mol.Biol., 433, 2021
6P8F
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BU of 6p8f by Molmil
Crystal structure of CDK4 in complex with CyclinD1 and P27
Descriptor: Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1B, G1/S-specific cyclin-D1
Authors:Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M.
Deposit date:2019-06-07
Release date:2019-12-25
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition.
Science, 366, 2019
6P8H
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Crystal structure of CDK4 in complex with CyclinD1 and P21
Descriptor: Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1, G1/S-specific cyclin-D1
Authors:Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M.
Deposit date:2019-06-07
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition.
Science, 366, 2019
6P8G
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BU of 6p8g by Molmil
Crystal structure of CDK4 in complex with CyclinD1 and P27
Descriptor: Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1B, G1/S-specific cyclin-D1
Authors:Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M.
Deposit date:2019-06-07
Release date:2019-12-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition.
Science, 366, 2019
6P8E
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BU of 6p8e by Molmil
Crystal structure of CDK4 in complex with CyclinD1 and P27
Descriptor: Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1B, G1/S-specific cyclin-D1, ...
Authors:Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M.
Deposit date:2019-06-07
Release date:2019-12-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition.
Science, 366, 2019
6P3W
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BU of 6p3w by Molmil
Crystal structure of the Cyclin A-CDK2-ORC1 complex
Descriptor: Cyclin-A2, Cyclin-dependent kinase 2, ORC1 Peptide, ...
Authors:Wang, B, Song, J.
Deposit date:2019-05-24
Release date:2019-07-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structural basis for the ORC1-Cyclin A association.
Protein Sci., 28, 2019

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