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2G9X
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Structure of Thr 160 phosphorylated CDK2/cyclin A in complex with the inhibitor NU6271
分子名称: 3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL, Cell division protein kinase 2, Cyclin-A2
著者Echalier, A, Endicott, J.A, Noble, M.E.
登録日2006-03-07
公開日2006-05-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Searching for Cyclin-Dependent Kinase Inhibitors Using a New Variant of the Cope Elimination.
J.Am.Chem.Soc., 128, 2006
4WBO
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Bovine G Protein Coupled Receptor Kinase 1 in Complex with Amlexanox
分子名称: 2-amino-7-(1-methylethyl)-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid, CHLORIDE ION, Rhodopsin kinase
著者Homan, K.T, Tesmer, J.J.G.
登録日2014-09-03
公開日2014-11-05
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Identification and characterization of amlexanox as a g protein-coupled receptor kinase 5 inhibitor.
Molecules, 19, 2014
8E06
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Symmetry expansion of dimeric LRRK1
分子名称: GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 1
著者Reimer, J.M, Lin, Y.X, Leschziner, A.E.
登録日2022-08-08
公開日2023-08-30
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structure of LRRK1 and mechanisms of autoinhibition and activation.
Nat.Struct.Mol.Biol., 30, 2023
8E04
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Structure of monomeric LRRK1
分子名称: GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 1
著者Reimer, J.M, Mathea, S, Chatterjee, D, Knapp, S, Leschziner, A.E.
登録日2022-08-08
公開日2023-08-30
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of LRRK1 and mechanisms of autoinhibition and activation.
Nat.Struct.Mol.Biol., 30, 2023
8E05
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Structure of dimeric LRRK1
分子名称: GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 1
著者Reimer, J.M, Lin, Y.X, Leschziner, A.E.
登録日2022-08-08
公開日2023-08-30
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Structure of LRRK1 and mechanisms of autoinhibition and activation.
Nat.Struct.Mol.Biol., 30, 2023
4OTI
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Crystal Structure of PRK1 Catalytic Domain in Complex with Tofacitinib
分子名称: 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
著者Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B.
登録日2014-02-13
公開日2014-08-27
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
4OR5
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BU of 4or5 by Molmil
Crystal structure of HIV-1 Tat complexed with human P-TEFb and AFF4
分子名称: AF4/FMR2 family member 4, Cyclin-T1, Cyclin-dependent kinase 9, ...
著者Gu, J, Babayeva, N.D, Suwa, Y, Baranovskiy, A.G, Price, D.H, Tahirov, T.H.
登録日2014-02-10
公開日2014-04-16
最終更新日2014-06-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of HIV-1 Tat complexed with human P-TEFb and AFF4.
Cell Cycle, 13, 2014
4ONA
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BU of 4ona by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1517
分子名称: 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2014-01-28
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
5KCV
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Crystal structure of allosteric inhibitor, ARQ 092, in complex with autoinhibited form of AKT1
分子名称: 3-[3-[4-(1-azanylcyclobutyl)phenyl]-5-phenyl-imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine, RAC-alpha serine/threonine-protein kinase
著者Eathiraj, S.
登録日2016-06-07
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of 3-(3-(4-(1-Aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine (ARQ 092): An Orally Bioavailable, Selective, and Potent Allosteric AKT Inhibitor.
J.Med.Chem., 59, 2016
3UPZ
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BU of 3upz by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumpless BKI analog UW1243
分子名称: 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A, Larson, E.T.
登録日2011-11-18
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3V5W
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BU of 3v5w by Molmil
Human G Protein-Coupled Receptor Kinase 2 in Complex with Soluble Gbetagamma Subunits and Paroxetine
分子名称: G-protein coupled receptor kinase 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Thal, D.M, Tesmer, J.J.G.
登録日2011-12-17
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Paroxetine is a direct inhibitor of g protein-coupled receptor kinase 2 and increases myocardial contractility.
Acs Chem.Biol., 7, 2012
5KKR
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BU of 5kkr by Molmil
KSR2:MEK1 Complex Bound to the Small Molecule APS-2-79
分子名称: 6,7-dimethoxy-~{N}-(2-methyl-4-phenoxy-phenyl)quinazolin-4-amine, Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 2
著者Dhawan, N.S, Scopton, A.P, Dar, A.C.
登録日2016-06-22
公開日2016-08-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.509 Å)
主引用文献Small molecule stabilization of the KSR inactive state antagonizes oncogenic Ras signalling.
Nature, 537, 2016
3UJG
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BU of 3ujg by Molmil
Crystal structure of SnRK2.6 in complex with HAB1
分子名称: MAGNESIUM ION, Protein phosphatase 2C 16, SULFATE ION, ...
著者Zhou, X.E, Soon, F.-F, Ng, L.-M, Kovach, A, Tan, M.H.E, Suino-Powell, K.M, He, Y, Xu, Y, Brunzelle, J.S, Li, J, Melcher, K, Xu, H.E.
登録日2011-11-07
公開日2012-02-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular mimicry regulates ABA signaling by SnRK2 kinases and PP2C phosphatases.
Science, 335, 2012
3V5T
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BU of 3v5t by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1299
分子名称: 1-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A, Larson, E.T.
登録日2011-12-16
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
5KQ5
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BU of 5kq5 by Molmil
AMPK bound to allosteric activator
分子名称: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ...
著者Calabrese, M.F, Kurumbail, R.G.
登録日2016-07-05
公開日2016-08-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.41 Å)
主引用文献Discovery and Preclinical Characterization of 6-Chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic Acid (PF-06409577), a Direct Activator of Adenosine Monophosphate-activated Protein Kinase (AMPK), for the Potential Treatment of Diabetic Nephropathy.
J.Med.Chem., 59, 2016
5L8J
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BU of 5l8j by Molmil
Aurora-A kinase domain in complex with vNAR-D01 S93R
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者Burgess, S.G, Bayliss, R.
登録日2016-06-08
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Allosteric inhibition of Aurora-A kinase by a synthetic vNAR domain.
Open Biology, 6, 2016
5CYZ
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BU of 5cyz by Molmil
Structure of S. cerevisiae Hrr25:Mam1 complex, form 1
分子名称: Casein kinase I homolog HRR25, Monopolin complex subunit MAM1, ZINC ION
著者Ye, Q, Corbett, K.D.
登録日2015-07-31
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.841 Å)
主引用文献Structure of the Saccharomyces cerevisiae Hrr25:Mam1 monopolin subcomplex reveals a novel kinase regulator.
Embo J., 35, 2016
5D9K
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BU of 5d9k by Molmil
Rsk2 N-terminal Kinase in Complex with BI-D1870
分子名称: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, GLYCEROL, Ribosomal protein S6 kinase alpha-3
著者Appleton, B.A.
登録日2015-08-18
公開日2015-09-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of Potent and Selective RSK Inhibitors as Biological Probes.
J.Med.Chem., 58, 2015
5DFZ
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BU of 5dfz by Molmil
Structure of Vps34 complex II from S. cerevisiae.
分子名称: Nanobody binding S. cerevisiae Vps34, Phosphatidylinositol 3-kinase VPS34, Putative N-terminal domain of S. cerevisiae Vps30, ...
著者Rostislavleva, K, Soler, N, Ohashi, Y, Zhang, L, Williams, R.L.
登録日2015-08-27
公開日2015-10-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (4.4 Å)
主引用文献Structure and flexibility of the endosomal Vps34 complex reveals the basis of its function on membranes.
Science, 350, 2015
5DVR
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BU of 5dvr by Molmil
Crystal Structure of TgCDPK1 From Toxoplasma Gondii complexed with GW780159X
分子名称: 4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine, Calmodulin-domain protein kinase 1, UNKNOWN ATOM OR ION
著者Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Osman, K.T, Structural Genomics Consortium (SGC)
登録日2015-09-21
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of TgCDPK1 From Toxoplasma Gondii complexed with GW780159X
to be published
1BI8
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BU of 1bi8 by Molmil
MECHANISM OF G1 CYCLIN DEPENDENT KINASE INHIBITION FROM THE STRUCTURES CDK6-P19INK4D INHIBITOR COMPLEX
分子名称: CYCLIN-DEPENDENT KINASE 6, CYCLIN-DEPENDENT KINASE INHIBITOR
著者Russo, A.A, Tong, L, Lee, J.O, Jeffrey, P.D, Pavletich, N.P.
登録日1998-06-22
公開日1999-01-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for inhibition of the cyclin-dependent kinase Cdk6 by the tumour suppressor p16INK4a.
Nature, 395, 1998
1B6C
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BU of 1b6c by Molmil
CRYSTAL STRUCTURE OF THE CYTOPLASMIC DOMAIN OF THE TYPE I TGF-BETA RECEPTOR IN COMPLEX WITH FKBP12
分子名称: FK506-BINDING PROTEIN, SULFATE ION, TGF-B SUPERFAMILY RECEPTOR TYPE I
著者Huse, M, Chen, Y.-G, Massague, J, Kuriyan, J.
登録日1999-01-13
公開日1999-06-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the cytoplasmic domain of the type I TGF beta receptor in complex with FKBP12.
Cell(Cambridge,Mass.), 96, 1999
1BUH
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BU of 1buh by Molmil
CRYSTAL STRUCTURE OF THE HUMAN CDK2 KINASE COMPLEX WITH CELL CYCLE-REGULATORY PROTEIN CKSHS1
分子名称: PROTEIN (CDK2 HUMAN), PROTEIN (CKSHS1 HUMAN)
著者Bourne, Y, Tainer, J.A.
登録日1998-09-03
公開日1998-09-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure and mutational analysis of the human CDK2 kinase complex with cell cycle-regulatory protein CksHs1.
Cell(Cambridge,Mass.), 84, 1996
4F7L
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BU of 4f7l by Molmil
Crystal structure of human CDK8/CYCC in complex with compound 2 (tert-butyl [3-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)propyl]carbamate)
分子名称: Cyclin-C, Cyclin-dependent kinase 8, tert-butyl [3-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)propyl]carbamate
著者Schneider, E.V, Boettcher, J, Huber, R, Maskos, K.
登録日2012-05-16
公開日2013-05-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-kinetic relationship study of CDK8/CycC specific compounds.
Proc.Natl.Acad.Sci.USA, 110, 2013
4F70
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Crystal structure of human CDK8/CYCC in complex with compound 4 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]urea)
分子名称: 1,2-ETHANEDIOL, 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]urea, Cyclin-C, ...
著者Schneider, E.V, Boettcher, J, Huber, R, Maskos, K.
登録日2012-05-15
公開日2013-05-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure-kinetic relationship study of CDK8/CycC specific compounds.
Proc.Natl.Acad.Sci.USA, 110, 2013

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