7M74
 
 | | ATP-bound AMP-activated protein kinase | | 分子名称: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | | 著者 | Yan, Y, Mukherjee, S, Harikumar, K.G, Strutzenberg, T, Zhou, X.E, Powell, S.K, Xu, T, Sheldon, R, Lamp, J, Brunzelle, J.S, Radziwon, K, Ellis, A, Novick, S.J, Vega, I.E, Jones, R, Miller, L.J, Xu, H.E, Griffin, P.R, Kossiakoff, A.A, Melcher, K. | | 登録日 | 2021-03-26 | | 公開日 | 2021-12-15 | | 最終更新日 | 2021-12-22 | | 実験手法 | ELECTRON MICROSCOPY (3.93 Å) | | 主引用文献 | Structure of an AMPK complex in an inactive, ATP-bound state.
Science, 373, 2021
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7MKX
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7NJ0
 | | CryoEM structure of the human Separase-Cdk1-cyclin B1-Cks1 complex | | 分子名称: | Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 1, G2/mitotic-specific cyclin-B1,G2/mitotic-specific cyclin-B1, ... | | 著者 | Yu, J, Raia, P, Ghent, C.M, Raisch, T, Sadian, Y, Barford, D, Raunser, S, Morgan, D.O, Boland, A. | | 登録日 | 2021-02-14 | | 公開日 | 2021-08-04 | | 最終更新日 | 2021-08-18 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Structural basis of human separase regulation by securin and CDK1-cyclin B1.
Nature, 596, 2021
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7NH4
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7NH5
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7MYJ
 | | Structure of full length human AMPK (a2b1g1) in complex with a small molecule activator MSG011 | | 分子名称: | (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol, 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, ... | | 著者 | Ovens, A.J, Gee, Y.S, Ling, N.X.Y, Waters, N.J, Yu, D, Scott, J.W, Parker, M.W, Hoffman, N.J, Kemp, B.E, Baell, J.B, Oakhill, J.S, Langendorf, C.G. | | 登録日 | 2021-05-21 | | 公開日 | 2022-06-29 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Structure-function analysis of the AMPK activator SC4 and identification of a potent pan AMPK activator.
Biochem.J., 479, 2022
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7N91
 | | P70 S6K1 IN COMPLEX WITH MSC2317067A-1 | | 分子名称: | 4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide, Ribosomal protein S6 kinase beta-1 | | 著者 | Mochalkin, I. | | 登録日 | 2021-06-16 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers.
J.Med.Chem., 64, 2021
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7N93
 | | P70 S6K1 IN COMPLEX WITH MSC2363318A-1 | | 分子名称: | 4-({(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl}amino)quinazoline-8-carboxamide, Ribosomal protein S6 kinase beta-1 | | 著者 | Mochalkin, I. | | 登録日 | 2021-06-16 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers.
J.Med.Chem., 64, 2021
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7NVR
 | | Human Mediator with RNA Polymerase II Pre-initiation complex | | 分子名称: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | 著者 | Rengachari, S, Schilbach, S, Aibara, S, Cramer, P. | | 登録日 | 2021-03-15 | | 公開日 | 2021-05-05 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | Structures of mammalian RNA polymerase II pre-initiation complexes.
Nature, 594, 2021
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7NXJ
 | | Crystal structure of human Cdk13/Cyclin K in complex with the inhibitor THZ531 | | 分子名称: | Cyclin-K, Cyclin-dependent kinase 13, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide | | 著者 | Anand, K, Greifenberg, A.K, Kaltheuner, I.H, Geyer, M. | | 登録日 | 2021-03-18 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
Eur.J.Med.Chem., 221, 2021
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7NXK
 | | Crystal structure of human Cdk12/Cyclin K in complex with the inhibitor BSJ-01-175 | | 分子名称: | (E)-N-[4-[(1R,3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide, Cyclin-K, Cyclin-dependent kinase 12 | | 著者 | Anand, K, Dust, S, Kaltheuner, I.H, Geyer, M. | | 登録日 | 2021-03-18 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
Eur.J.Med.Chem., 221, 2021
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7NWK
 | | Crystal structure of CDK9-Cyclin T1 bound by compound 6 | | 分子名称: | 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 | | 著者 | Collie, G.W, Ferguson, A.D. | | 登録日 | 2021-03-16 | | 公開日 | 2021-10-27 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | 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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7MFD
 | | Autoinhibited BRAF:(14-3-3)2:MEK complex with the BRAF RBD resolved | | 分子名称: | 14-3-3 protein zeta/delta, Dual specificity mitogen-activated protein kinase kinase 1, N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide, ... | | 著者 | Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K. | | 登録日 | 2021-04-09 | | 公開日 | 2022-01-26 | | 最終更新日 | 2022-02-09 | | 実験手法 | ELECTRON MICROSCOPY (3.66 Å) | | 主引用文献 | Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding.
Nat Commun, 13, 2022
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6U2G
 | | BRAF-MEK complex with AMP-PCP bound to BRAF | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | 著者 | Liau, N.P.D, Wendorff, T, Hymowitz, S, Sudhamsu, J. | | 登録日 | 2019-08-19 | | 公開日 | 2019-08-28 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.886 Å) | | 主引用文献 | 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 | | 分子名称: | 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, ... | | 著者 | Bouley, R, Tesmer, J.J.G. | | 登録日 | 2019-09-02 | | 公開日 | 2020-04-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | A New Paroxetine-Based GRK2 Inhibitor Reduces Internalization of themu-Opioid Receptor.
Mol.Pharmacol., 97, 2020
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6URC
 | | Crystal structure of IRE1a in complex with compound 18 | | 分子名称: | 2-chloro-N-(6-methyl-5-{[3-(2-{[(3S)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide, GLYCEROL, Serine/threonine-protein kinase/endoribonuclease IRE1 | | 著者 | Wallweber, H.H, Wang, W. | | 登録日 | 2019-10-23 | | 公開日 | 2019-11-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Disruption of IRE1 alpha through its kinase domain attenuates multiple myeloma.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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1F3M
 | | CRYSTAL STRUCTURE OF HUMAN SERINE/THREONINE KINASE PAK1 | | 分子名称: | IODIDE ION, SERINE/THREONINE-PROTEIN KINASE PAK-ALPHA | | 著者 | Lei, M, Lu, W, Meng, W, Parrini, M.-C, Eck, M.J, Mayer, B.J, Harrison, S.C. | | 登録日 | 2000-06-05 | | 公開日 | 2000-06-29 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure of PAK1 in an autoinhibited conformation reveals a multistage activation switch.
Cell(Cambridge,Mass.), 102, 2000
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6VNO
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1FQ1
 | | CRYSTAL STRUCTURE OF KINASE ASSOCIATED PHOSPHATASE (KAP) IN COMPLEX WITH PHOSPHO-CDK2 | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CELL DIVISION PROTEIN KINASE 2, CYCLIN-DEPENDENT KINASE INHIBITOR 3, ... | | 著者 | Song, H, Hanlon, N, Brown, N.R, Noble, M.E.M, Johnson, L.N, Barford, D. | | 登録日 | 2000-09-01 | | 公開日 | 2001-05-09 | | 最終更新日 | 2018-03-14 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Phosphoprotein-protein interactions revealed by the crystal structure of kinase-associated phosphatase in complex with phosphoCDK2.
Mol.Cell, 7, 2001
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6W3E
 | | Structure of phosphorylated IRE1 in complex with G-0701 | | 分子名称: | Serine/threonine-protein kinase/endoribonuclease IRE1, methyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate | | 著者 | Ferri, E, Wang, W, Joachim, R, Mortara, K. | | 登録日 | 2020-03-09 | | 公開日 | 2020-12-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.737 Å) | | 主引用文献 | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
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6W39
 | | Structure of unphosphorylated IRE1 in complex with G-1749 | | 分子名称: | Serine/threonine-protein kinase/endoribonuclease IRE1, ethyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate | | 著者 | Ferri, E, Wang, W, Joachim, R, Mortara, K. | | 登録日 | 2020-03-09 | | 公開日 | 2020-12-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.736 Å) | | 主引用文献 | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
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1CMK
 | | CRYSTAL STRUCTURES OF THE MYRISTYLATED CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE REVEAL OPEN AND CLOSED CONFORMATIONS | | 分子名称: | IODIDE ION, MYRISTIC ACID, cAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT, ... | | 著者 | Zheng, J, Knighton, D.R, Xuong, N.-H, Taylor, S.S, Sowadski, J.M, Ten Eyck, L.F. | | 登録日 | 1993-11-18 | | 公開日 | 1994-05-31 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal structures of the myristylated catalytic subunit of cAMP-dependent protein kinase reveal open and closed conformations.
Protein Sci., 2, 1993
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6VXR
 | | Structure of Maternal embryonic leucine zipper kinase bound to LDSM276 | | 分子名称: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, Maternal embryonic leucine zipper kinase | | 著者 | Counago, R.M, Takarada, J.E, dos Reis, C.V, Gama, F.H, Azevedo, H, Mascarello, A, Guimaraes, C.R, Structural Genomics Consortium (SGC) | | 登録日 | 2020-02-24 | | 公開日 | 2020-07-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure of Maternal embryonic leucine zipper kinase bound to LDSM276
To Be Published
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6VP6
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6W3B
 | | Structure of apo unphosphorylated IRE1 | | 分子名称: | Serine/threonine-protein kinase/endoribonuclease IRE1 | | 著者 | Wallweber, H, Mortara, K, Ferri, E, Rudolph, J, Wang, W. | | 登録日 | 2020-03-09 | | 公開日 | 2020-12-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
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