8BIK
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![BU of 8bik by Molmil](/molmil-images/mine/8bik) | Crystal structure of human AMPK heterotrimer in complex with allosteric activator C455 | Descriptor: | (3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-[[6-chloranyl-5-[4-[4-[[dimethyl(oxidanyl)-$l^{4}-sulfanyl]amino]phenyl]phenyl]-3~{H}-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-3-ol, 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, ... | Authors: | Schimpl, M, Mather, K.M, Boland, M.L, Rivers, E.L, Srivastava, A, Hemsley, P, Robinson, J, Wan, P.T, Hansen, J, Read, J.A, Trevaskis, J.L, Smith, D.M. | Deposit date: | 2022-11-02 | Release date: | 2024-05-15 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Direct beta 1/ beta 2 AMPK activation reduces liver steatosis but not fibrosis in a mouse model of non-alcoholic steatohepatitis Biorxiv, 2024
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8CPD
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![BU of 8cpd by Molmil](/molmil-images/mine/8cpd) | Cryo-EM structure of CRaf dimer with 14:3:3 | Descriptor: | 14-3-3 protein zeta isoform X1, RAF proto-oncogene serine/threonine-protein kinase | Authors: | Dedden, D, Graedler, U, Schwarz, D, Thomsen, M, Leuthner, B, Schneider, E, Nitsche, J. | Deposit date: | 2023-03-02 | Release date: | 2024-02-21 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Cryo-EM Structures of CRAF 2 /14-3-3 2 and CRAF 2 /14-3-3 2 /MEK1 2 Complexes. J.Mol.Biol., 436, 2024
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8CHF
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![BU of 8chf by Molmil](/molmil-images/mine/8chf) | cryo-EM Structure of Craf:14-3-3:Mek1 | Descriptor: | 14-3-3 protein zeta isoform X1, 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, Dual specificity mitogen-activated protein kinase kinase 1, ... | Authors: | Dedden, D, Ulrich, G. | Deposit date: | 2023-02-07 | Release date: | 2024-02-21 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (4.25 Å) | Cite: | Cryo-EM Structures of CRAF 2 /14-3-3 2 and CRAF 2 /14-3-3 2 /MEK1 2 Complexes. J.Mol.Biol., 436, 2024
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8BZO
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![BU of 8bzo by Molmil](/molmil-images/mine/8bzo) | 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
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5EZV
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![BU of 5ezv by Molmil](/molmil-images/mine/5ezv) | |
5EYK
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![BU of 5eyk by Molmil](/molmil-images/mine/5eyk) | CRYSTAL STRUCTURE OF AURORA B IN COMPLEX WITH BI 847325 | Descriptor: | 3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide, Aurora kinase B-A, Inner centromere protein A | Authors: | Bader, G, Zoephel, A. | Deposit date: | 2015-11-25 | Release date: | 2016-08-17 | Last modified: | 2016-10-19 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Pharmacological Profile of BI 847325, an Orally Bioavailable, ATP-Competitive Inhibitor of MEK and Aurora Kinases. Mol.Cancer Ther., 15, 2016
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3MV5
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![BU of 3mv5 by Molmil](/molmil-images/mine/3mv5) | Crystal structure of Akt-1-inhibitor complexes | Descriptor: | (3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine, GSK3-beta peptide, MANGANESE (II) ION, ... | Authors: | Pandit, J. | Deposit date: | 2010-05-03 | Release date: | 2010-06-02 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Design of selective, ATP-competitive inhibitors of Akt. J.Med.Chem., 53, 2010
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3NCG
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![BU of 3ncg by Molmil](/molmil-images/mine/3ncg) | |
3NYV
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![BU of 3nyv by Molmil](/molmil-images/mine/3nyv) | |
3NYN
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![BU of 3nyn by Molmil](/molmil-images/mine/3nyn) | Crystal Structure of G Protein-Coupled Receptor Kinase 6 in Complex with Sangivamycin | Descriptor: | (R,R)-2,3-BUTANEDIOL, G protein-coupled receptor kinase 6, SANGIVAMYCIN, ... | Authors: | Tesmer, J.J.G, Singh, P. | Deposit date: | 2010-07-15 | Release date: | 2010-09-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Molecular basis for activation of G protein-coupled receptor kinases. Embo J., 29, 2010
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4MK0
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4MXA
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![BU of 4mxa by Molmil](/molmil-images/mine/4mxa) | CDPK1 from Neospora caninum in complex with inhibitor RM-1-132 | Descriptor: | 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related | Authors: | Merritt, E.A. | Deposit date: | 2013-09-26 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy. Plos One, 9, 2014
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4NZW
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![BU of 4nzw by Molmil](/molmil-images/mine/4nzw) | Crystal Structure of STK25-MO25 Complex | Descriptor: | 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, Calcium-binding protein 39, Serine/threonine-protein kinase 25 | Authors: | Feng, M, Hao, Q, Zhou, Z.C. | Deposit date: | 2013-12-13 | Release date: | 2014-12-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.583 Å) | Cite: | Structural insights into regulatory mechanisms of MO25-mediated kinase activation. J.Struct.Biol., 186, 2014
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4OTI
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![BU of 4oti by Molmil](/molmil-images/mine/4oti) | Crystal Structure of PRK1 Catalytic Domain in Complex with Tofacitinib | Descriptor: | 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Serine/threonine-protein kinase N1 | Authors: | Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B. | Deposit date: | 2014-02-13 | Release date: | 2014-08-27 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes. Plos One, 9, 2014
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4OR5
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![BU of 4or5 by Molmil](/molmil-images/mine/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: | 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
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6GU6
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![BU of 6gu6 by Molmil](/molmil-images/mine/6gu6) | CDK1/Cks2 in complex with 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 1, Cyclin-dependent kinases regulatory subunit 2 | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | Deposit date: | 2018-06-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
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6GU4
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![BU of 6gu4 by Molmil](/molmil-images/mine/6gu4) | CDK1/CyclinB/Cks2 in complex with CGP74514A | Descriptor: | Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ... | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | Deposit date: | 2018-06-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
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6GVA
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![BU of 6gva by Molmil](/molmil-images/mine/6gva) | CDK2/cyclin A2 in complex with pyrazolo[4,3-d]pyrimidine inhibitor LGR4455 | Descriptor: | 1,2-ETHANEDIOL, 5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine, BROMIDE ION, ... | Authors: | Skerlova, J, Rezacova, P. | Deposit date: | 2018-06-20 | Release date: | 2019-05-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | 3,5,7-Substituted Pyrazolo[4,3- d]pyrimidine Inhibitors of Cyclin-Dependent Kinases and Their Evaluation in Lymphoma Models. J.Med.Chem., 62, 2019
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6GVX
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![BU of 6gvx by Molmil](/molmil-images/mine/6gvx) | Crystal structure of Maternal Embryonic Leucine Zipper Kinase (MELK) in complex with dorsomorphin (Compound C) | Descriptor: | 1,2-ETHANEDIOL, 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, Maternal embryonic leucine zipper kinase | Authors: | Golik, P, Rembacz, K.P, Zrubek, K, Romanowska, M, Bugusz, J, Wladyka, B, Dubin, G. | Deposit date: | 2018-06-21 | Release date: | 2019-05-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Crystal structure of Maternal Embryonic Leucine Zipper Kinase (MELK) in complex with dorsomorphin (Compound C). Arch.Biochem.Biophys., 671, 2019
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6GUC
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![BU of 6guc by Molmil](/molmil-images/mine/6guc) | CDK2/CyclinA in complex with SU9516 | Descriptor: | (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE, Cyclin-A2, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | Deposit date: | 2018-06-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
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6GZH
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![BU of 6gzh by Molmil](/molmil-images/mine/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: | 2024-01-17 | 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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6GU2
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![BU of 6gu2 by Molmil](/molmil-images/mine/6gu2) | CDK1/CyclinB/Cks2 in complex with Flavopiridol | Descriptor: | 2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, ... | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | Deposit date: | 2018-06-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
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6GUB
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![BU of 6gub by Molmil](/molmil-images/mine/6gub) | CDK2/CyclinA in complex with Flavopiridol | Descriptor: | 2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one, Cyclin-A2, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | Deposit date: | 2018-06-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
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6HHI
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![BU of 6hhi by Molmil](/molmil-images/mine/6hhi) | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 30b | Descriptor: | RAC-alpha serine/threonine-protein kinase, ~{N}-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide | Authors: | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | Deposit date: | 2018-08-28 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt. Chem Sci, 10, 2019
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6HV0
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![BU of 6hv0 by Molmil](/molmil-images/mine/6hv0) | IRE1 kinase/RNase in complex with imidazo[1,2-b]pyridazin-8-amine compound 33 | Descriptor: | 6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Bayliss, R, Bhatia, C, Collins, I. | Deposit date: | 2018-10-09 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Binding to an Unusual Inactive Kinase Conformation by Highly Selective Inhibitors of Inositol-Requiring Enzyme 1 alpha Kinase-Endoribonuclease. J.Med.Chem., 62, 2019
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