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5MAG
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BU of 5mag by Molmil
Crystal structure of MELK in complex with an inhibitor
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Maternal embryonic leucine zipper kinase, ...
著者Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S.
登録日2016-11-03
公開日2017-12-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The target landscape of clinical kinase drugs.
Science, 358, 2017
5TQW
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BU of 5tqw by Molmil
CryoEM reconstruction of human IKK1, open conformation 1
分子名称: Inhibitor of nuclear factor kappa-B kinase subunit alpha
著者Lyumkis, D, Ghosh, G, Polley, S, Biswath, T, Huang, D, Passos, D.O.
登録日2016-10-24
公開日2016-11-09
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献Structural Basis for the Activation of IKK1/ alpha.
Cell Rep, 17, 2016
5TVT
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BU of 5tvt by Molmil
Structure of Maternal Embryonic Leucine Zipper Kinase
分子名称: 9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3-methyl-3,4-dihydropyrimido[5,4-c][1,5]naphthyridin-2(1H)-one, Maternal embryonic leucine zipper kinase
著者Seo, H.-Y, Huang, H, Gray, N.S, Dhe-Paganon, S.
登録日2016-11-10
公開日2017-11-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structure of Maternal Embryonic Leucine Zipper Kinase
To Be Published
5U6Y
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BU of 5u6y by Molmil
Pseudo-atomic model of the CaMKIIa holoenzyme.
分子名称: Calcium/calmodulin-dependent protein kinase type II subunit alpha
著者Myers, J, Reichow, S.L.
登録日2016-12-09
公開日2017-06-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (20 Å)
主引用文献The CaMKII holoenzyme structure in activation-competent conformations.
Nat Commun, 8, 2017
5TQX
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BU of 5tqx by Molmil
CryoEM reconstruction of human IKK1, intermediate conformation 2
分子名称: Inhibitor of nuclear factor kappa-B kinase subunit alpha
著者Lyumkis, D, Ghosh, G, Polley, S, Biswath, T, Huang, D, Passos, D.O.
登録日2016-10-24
公開日2016-11-09
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.4 Å)
主引用文献Structural Basis for the Activation of IKK1/ alpha.
Cell Rep, 17, 2016
5TX3
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BU of 5tx3 by Molmil
Structure of Maternal Embryonic Leucine Zipper Kinase
分子名称: 7-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-2-({3-[(pyrrolidin-1-yl)methyl]phenyl}amino)-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one, Maternal embryonic leucine zipper kinase
著者Li, Q, Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S, Eck, M.J.
登録日2016-11-15
公開日2017-11-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
5NCL
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BU of 5ncl by Molmil
Crystal structure of the Cbk1-Mob2 kinase-coactivator complex with an SSD1 peptide
分子名称: CBK1 kinase activator protein MOB2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein SSD1, ...
著者Gogl, G, Remenyi, A, Parker, B, Weiss, E.
登録日2017-03-06
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Ndr/Lats Kinases Bind Specific Mob-Family Coactivators through a Conserved and Modular Interface.
Biochemistry, 2020
5NZZ
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BU of 5nzz by Molmil
Crystal structure of phosphorylated p38aMAPK in complex with TAB1
分子名称: MAGNESIUM ION, Mitogen-activated protein kinase 14, NICKEL (II) ION, ...
著者Nichols, C.E, De Nicola, G.F.
登録日2017-05-15
公開日2018-05-30
最終更新日2018-09-19
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The TAB1-p38 alpha complex aggravates myocardial injury and can be targeted by small molecules.
JCI Insight, 3, 2018
5M5A
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BU of 5m5a by Molmil
Crystal structure of MELK in complex with an inhibitor
分子名称: CHLORIDE ION, K-252A, Maternal embryonic leucine zipper kinase, ...
著者Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S.
登録日2016-10-21
公開日2017-12-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The target landscape of clinical kinase drugs.
Science, 358, 2017
5MAH
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BU of 5mah by Molmil
Crystal structure of MELK in complex with an inhibitor
分子名称: CHLORIDE ION, GLYCEROL, Maternal embryonic leucine zipper kinase, ...
著者Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S.
登録日2016-11-03
公開日2017-12-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The target landscape of clinical kinase drugs.
Science, 358, 2017
5MAF
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BU of 5maf by Molmil
Crystal structure of MELK in complex with an inhibitor
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Maternal embryonic leucine zipper kinase, ...
著者Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S.
登録日2016-11-03
公開日2017-12-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The target landscape of clinical kinase drugs.
Science, 358, 2017
5O2C
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BU of 5o2c by Molmil
Crystal structure of WNK3 kinase and CCT1 didomain in a unphosphorylated state
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Serine/threonine-protein kinase WNK3
著者Bartual, S.G, Pinkas, D.M, Bufton, J.C, Kupinska, K, Wang, D, Chalk, R, Berridge, G, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2017-05-19
公開日2017-06-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of WNK3 kinase and CCT1 didomain in a unphosphorylated state
To Be Published
5MAI
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BU of 5mai by Molmil
Crystal structure of MELK in complex with an inhibitor
分子名称: 3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide, DIMETHYL SULFOXIDE, Maternal embryonic leucine zipper kinase
著者Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S.
登録日2016-11-03
公開日2017-12-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The target landscape of clinical kinase drugs.
Science, 358, 2017
5T5T
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BU of 5t5t 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2016-08-31
公開日2017-03-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.46 Å)
主引用文献Selective Activation of AMPK beta 1-Containing Isoforms Improves Kidney Function in a Rat Model of Diabetic Nephropathy.
J. Pharmacol. Exp. Ther., 361, 2017
5UKM
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BU of 5ukm by Molmil
bovine GRK2 in complex with human Gbetagamma subunits and CCG258208 (14as)
分子名称: 5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(1H-pyrazol-5-yl)methyl]benzamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Cruz-Rodriguez, O, Tesmer, J.J.G.
登録日2017-01-23
公開日2017-04-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Structure-Based Design of Highly Selective and Potent G Protein-Coupled Receptor Kinase 2 Inhibitors Based on Paroxetine.
J. Med. Chem., 60, 2017
5NEV
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BU of 5nev by Molmil
CDK2/Cyclin A in complex with compound 73
分子名称: 4-[[6-(3-phenylphenyl)-7~{H}-purin-2-yl]amino]benzenesulfonamide, Cyclin-A2, Cyclin-dependent kinase 2
著者Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E.M, Newell, D.R, Turner, D, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Cano, G.
登録日2017-03-12
公開日2017-03-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines.
J. Med. Chem., 60, 2017
5UQ2
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BU of 5uq2 by Molmil
Crystal structure of human Cdk2-Spy1 complex
分子名称: Cyclin-dependent kinase 2, Speedy protein A
著者McGrath, D.A, Tripathi, S.M, Rubin, S.M.
登録日2017-02-06
公開日2017-07-05
最終更新日2017-08-09
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of divergent cyclin-dependent kinase activation by Spy1/RINGO proteins.
EMBO J., 36, 2017
5UVC
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BU of 5uvc by Molmil
Design, Synthesis, and Evaluation of the First Selective and Potent G-protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure
分子名称: Beta-adrenergic receptor kinase 1, N-benzyl-3-({[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)benzamide, SULFATE ION
著者Hoffman, I.D, Lawson, J.D.
登録日2017-02-20
公開日2017-07-26
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Design, Synthesis, and Evaluation of the Highly Selective and Potent G-Protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure.
J. Med. Chem., 60, 2017
5LIH
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BU of 5lih by Molmil
Structure of a peptide-substrate bound to PKCiota core kinase domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MANGANESE (II) ION, ...
著者Soriano, E.V, Purkiss, A.G, McDonald, N.Q.
登録日2016-07-14
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献aPKC Inhibition by Par3 CR3 Flanking Regions Controls Substrate Access and Underpins Apical-Junctional Polarization.
Dev.Cell, 38, 2016
5UKK
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BU of 5ukk by Molmil
Human GRK2 in complex with human G-beta-gamma subunits and CCG211998 (14ak)
分子名称: 5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(pyridin-2-yl)methyl]benzamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Cato, M.C, Homan, K.T, Tesmer, J.J.G.
登録日2017-01-23
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Based Design of Highly Selective and Potent G Protein-Coupled Receptor Kinase 2 Inhibitors Based on Paroxetine.
J. Med. Chem., 60, 2017
5UPL
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BU of 5upl by Molmil
CDC42 binds PAK4 via an extended GTPase-effector inteface - 2 peptide: PAK4FL, CDC42 - UNREFINED
分子名称: Cell division control protein 42 homolog, Serine/threonine-protein kinase PAK 4
著者Ha, B.H, Boggon, T.J.
登録日2017-02-03
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.003 Å)
主引用文献CDC42 binds PAK4 via an extended GTPase-effector interface.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5UKL
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BU of 5ukl by Molmil
Human GRK2 in complex with Gbetagamma subunits and CCG222886 (14bd)
分子名称: 2-{5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluorophenyl}-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Cato, M.C, Homan, K.T, Tesmer, J.J.G.
登録日2017-01-23
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Based Design of Highly Selective and Potent G Protein-Coupled Receptor Kinase 2 Inhibitors Based on Paroxetine.
J. Med. Chem., 60, 2017
5UFU
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BU of 5ufu by Molmil
Structure of AMPK bound to activator
分子名称: 1,4:3,6-dianhydro-2-O-(6-chloro-5-{4-[1-(hydroxymethyl)cyclopropyl]phenyl}-1H-benzimidazol-2-yl)-D-mannitol, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, ...
著者Calabrese, M.F, Kurumbail, R.G.
登録日2017-01-05
公開日2017-05-17
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Activation of Skeletal Muscle AMPK Promotes Glucose Disposal and Glucose Lowering in Non-human Primates and Mice.
Cell Metab., 25, 2017
5UQ3
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BU of 5uq3 by Molmil
Crystal structure of human Cdk2-Spy1-P27 ternary complex
分子名称: Cyclin-dependent kinase 2, Cyclin-dependent kinase inhibitor 1B, Speedy protein A
著者McGrath, D.A, Tripathi, S.M, Rubin, S.M.
登録日2017-02-06
公開日2017-07-05
最終更新日2017-08-09
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structural basis of divergent cyclin-dependent kinase activation by Spy1/RINGO proteins.
EMBO J., 36, 2017
5UPK
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BU of 5upk by Molmil
CDC42 binds PAK4 via an extended GTPase-effector interface - 3 peptide: PAK4cat, PAK4-N45, CDC42
分子名称: Cell division control protein 42 homolog, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Ha, B.H, Boggon, T.J.
登録日2017-02-03
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献CDC42 binds PAK4 via an extended GTPase-effector interface.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

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