1PKD
 
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1PY5
 | | Crystal Structure of TGF-beta receptor I kinase with inhibitor | | Descriptor: | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE, SULFATE ION, TGF-beta receptor type I | | Authors: | Zhang, F, Sawyer, J.S. | | Deposit date: | 2003-07-08 | | Release date: | 2004-07-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Synthesis and activity of new aryl- and heteroaryl-substituted 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole inhibitors of the transforming growth factor-beta type I receptor kinase domain.
Bioorg.Med.Chem.Lett., 14, 2004
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7BL1
 | | human complex II-BATS bound to membrane-attached Rab5a-GTP | | Descriptor: | Beclin-1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Tremel, S, Morado, D.R, Kovtun, O, Williams, R.L, Briggs, J.A.G, Munro, S, Ohashi, Y, Bertram, J, Perisic, O. | | Deposit date: | 2021-01-17 | | Release date: | 2021-03-03 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (9.8 Å) | | Cite: | Structural basis for VPS34 kinase activation by Rab1 and Rab5 on membranes.
Nat Commun, 12, 2021
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5XZV
 | | Crystal structure of Rad53 1-466 in complex with AMP-PNP | | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase RAD53 | | Authors: | Weng, J.H, Tsai, M.D. | | Deposit date: | 2017-07-14 | | Release date: | 2017-10-11 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Phospho-Priming Confers Functionally Relevant Specificities for Rad53 Kinase Autophosphorylation
Biochemistry, 56, 2017
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6TM5
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6U2G
 | | BRAF-MEK complex with AMP-PCP bound to BRAF | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Liau, N.P.D, Wendorff, T, Hymowitz, S, Sudhamsu, J. | | Deposit date: | 2019-08-19 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.886 Å) | | Cite: | Negative regulation of RAF kinase activity by ATP is overcome by 14-3-3-induced dimerization.
Nat.Struct.Mol.Biol., 27, 2020
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6U7C
 | | Human GRK2 in complex with Gbetagamma subunits and CCG258747 | | Descriptor: | 5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(2H-indazol-3-yl)methyl]benzamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Bouley, R, Tesmer, J.J.G. | | Deposit date: | 2019-09-02 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | A New Paroxetine-Based GRK2 Inhibitor Reduces Internalization of themu-Opioid Receptor.
Mol.Pharmacol., 97, 2020
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7DSY
 | | Crystal Structure of RNase L in complex with KM05073 | | Descriptor: | 1-chloranyl-3-methylsulfinyl-6,7-dihydro-5H-2-benzothiophen-4-one, 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE, PHOSPHATE ION, ... | | Authors: | Tang, J, Huang, H. | | Deposit date: | 2021-01-03 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.651 Å) | | Cite: | Identification of Small Molecule Inhibitors of RNase L by Fragment-Based Drug Discovery
J.Med.Chem., 65, 2022
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7B55
 | | Crystal structure of CaMKII-actinin complex bound to MES | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alpha-actinin-2, Calcium/calmodulin-dependent protein kinase type II subunit alpha | | Authors: | Zhu, J, Gold, M. | | Deposit date: | 2020-12-03 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of CaMKII-actinin complex bound to MES
To Be Published
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7B56
 | | Crystal structure of CaMKII-actinin complex bound to AMPPNP | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alpha-actinin-2, Calcium/calmodulin-dependent protein kinase type II subunit alpha, ... | | Authors: | Zhu, J, Gold, M. | | Deposit date: | 2020-12-03 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure of CaMKII-actinin complex bound to MES
To Be Published
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7B57
 | | Crystal structure of CaMKII-actinin complex bound to ADP | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, Alpha-actinin-2, ... | | Authors: | Zhu, J, Gold, M. | | Deposit date: | 2020-12-03 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of CaMKII-actinin complex bound to ADP
To Be Published
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6B3E
 | | 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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6ATH
 | | 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
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6AO5
 | | Crystal structure of human MST2 in complex with SAV1 SARAH domain | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein salvador homolog 1, ... | | Authors: | Tomchick, D.R, Luo, X, Ni, L. | | Deposit date: | 2017-08-15 | | Release date: | 2017-11-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.955 Å) | | Cite: | SAV1 promotes Hippo kinase activation through antagonizing the PP2A phosphatase STRIPAK.
Elife, 6, 2017
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6T41
 | | CDK8/Cyclin C in complex with N-(4-chlorobenzyl)isoquinolin-4-amine | | Descriptor: | 1,2-ETHANEDIOL, Cyclin-C, Cyclin-dependent kinase 8, ... | | Authors: | Schneider, E.V, Maskos, K, Huber, R, Kuhn, C.-D. | | Deposit date: | 2019-10-11 | | Release date: | 2020-01-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | A precisely positioned MED12 activation helix stimulates CDK8 kinase activity.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7E34
 | | Crystal structure of SUN1-Speedy A-CDK2 | | Descriptor: | Cyclin-dependent kinase 2, GLYCEROL, SUN domain-containing protein 1, ... | | Authors: | Chen, Y, Huang, C, Wu, J, Lei, M. | | Deposit date: | 2021-02-08 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | The SUN1-SPDYA interaction plays an essential role in meiosis prophase I.
Nat Commun, 12, 2021
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6TD3
 | | Structure of DDB1 bound to CR8-engaged CDK12-cyclinK | | Descriptor: | (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ... | | Authors: | Bunker, R.D, Petzold, G, Kozicka, Z, Thoma, N.H. | | Deposit date: | 2019-11-07 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.46 Å) | | Cite: | The CDK inhibitor CR8 acts as a molecular glue degrader that depletes cyclin K.
Nature, 585, 2020
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7EGB
 | | 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
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7BMK
 | | ATP-Competitive Partial Antagonists-'PAIR's-Rheostatically Modulate IRE1alpha's Kinase Helix-alphaC to Segregate its RNase-Mediated Biological Outputs | | Descriptor: | 1,2-ETHANEDIOL, 2,2,2-tris(fluoranyl)-~{N}-[4-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Feldman, H.C, Ghosh, R, Auyeung, V, Mueller, J.L, Vidadala, V.N, Olivier, A, Backes, B.J, Zikherman, J, Papa, F.R, Maly, D.J. | | Deposit date: | 2021-01-20 | | Release date: | 2021-09-29 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | ATP-competitive partial antagonists of the IRE1 alpha RNase segregate outputs of the UPR.
Nat.Chem.Biol., 17, 2021
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6BFA
 | | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1553 | | Descriptor: | 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1 | | Authors: | Merritt, E.A. | | Deposit date: | 2017-10-26 | | Release date: | 2017-12-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis.
J. Med. Chem., 59, 2016
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7EGC
 | | 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
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7ENA
 | | 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
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7ENC
 | | 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
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6TPA
 | | CDK8/CyclinC in complex with drug ETP-50775 | | Descriptor: | (2~{R})-butane-1,2-diol, 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea, Cyclin-C, ... | | Authors: | Munoz, I.G, Pastor, J, Martinez, S. | | Deposit date: | 2019-12-12 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one derivatives as CDK8 inhibitors.
Eur.J.Med.Chem., 201, 2020
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6B2E
 | | Structure of full length human AMPK (a2b2g1) in complex with a small molecule activator SC4. | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Ngoei, K.R.W, Langendorf, C.G, Ling, N.X.Y, Hoque, A, Johnson, S, Camerino, M.C, Walker, S.R, Bozikis, Y.E, Dite, T.A, Ovens, A.J, Smiles, W.J, Jacobs, R, Huang, H, Parker, M.W, Scott, J.W, Rider, M.H, Kemp, B.E, Foitzik, R.C, Baell, J.B, Oakhill, J.S. | | Deposit date: | 2017-09-19 | | Release date: | 2018-04-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structural Determinants for Small-Molecule Activation of Skeletal Muscle AMPK alpha 2 beta 2 gamma 1 by the Glucose Importagog SC4.
Cell Chem Biol, 25, 2018
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