2G01
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![BU of 2g01 by Molmil](/molmil-images/mine/2g01) | Pyrazoloquinolones as Novel, Selective JNK1 inhibitors | Descriptor: | 6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE, C-jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, ... | Authors: | Abad-Zapatero, C. | Deposit date: | 2006-02-10 | Release date: | 2006-04-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Synthesis and SAR of 1,9-dihydro-9-hydroxypyrazolo[3,4-b]quinolin-4-ones as novel, selective c-Jun N-terminal kinase inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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2GFC
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![BU of 2gfc by Molmil](/molmil-images/mine/2gfc) | cAMP-dependent protein kinase PKA catalytic subunit with PKI-5-24 | Descriptor: | N-OCTANE, cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, ... | Authors: | Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D. | Deposit date: | 2006-03-21 | Release date: | 2006-05-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural Analysis of Protein Kinase A Mutants with Rho-kinase Inhibitor Specificity. J.Biol.Chem., 281, 2006
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8WJY
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![BU of 8wjy by Molmil](/molmil-images/mine/8wjy) | PKMYT1_Cocrystal_Cpd 4 | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ... | Authors: | Wang, Y, Wang, C, Liu, T, Qi, H, Chen, S, Cai, X, Zhang, M, Aliper, A, Ren, F, Ding, X, Zhavoronkov, A. | Deposit date: | 2023-09-26 | Release date: | 2023-11-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Discovery of Tetrahydropyrazolopyrazine Derivatives as Potent and Selective MYT1 Inhibitors for the Treatment of Cancer. J.Med.Chem., 67, 2024
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8WGF
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![BU of 8wgf by Molmil](/molmil-images/mine/8wgf) | The Crystal Structure of JNK3 from Biortus. | Descriptor: | MAGNESIUM ION, Mitogen-activated protein kinase 10, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Wang, F, Cheng, W, Lv, Z, Ju, C, Wang, J. | Deposit date: | 2023-09-21 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Crystal Structure of JNK3 from Biortus. To Be Published
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8X5Z
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![BU of 8x5z by Molmil](/molmil-images/mine/8x5z) | |
8X23
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![BU of 8x23 by Molmil](/molmil-images/mine/8x23) | The Crystal Structure of MAPK13 from Biortus. | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 13 | Authors: | Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W. | Deposit date: | 2023-11-09 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Crystal Structure of MAPK13 from Biortus. To Be Published
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8X5L
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![BU of 8x5l by Molmil](/molmil-images/mine/8x5l) | The Crystal Structure of PRKACA from Biortus. | Descriptor: | (2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium, SODIUM ION, cAMP-dependent protein kinase catalytic subunit alpha | Authors: | Wang, F, Cheng, W, Lv, Z, Lin, D, Pan, W. | Deposit date: | 2023-11-17 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | The Crystal Structure of PRKACA from Biortus. To Be Published
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8X5M
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![BU of 8x5m by Molmil](/molmil-images/mine/8x5m) | The Crystal Structure of JNK1 from Biortus. | Descriptor: | 1,2-ETHANEDIOL, 3-[4-(dimethylamino)butanoylamino]-~{N}-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide, GLYCEROL, ... | Authors: | Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J. | Deposit date: | 2023-11-17 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Crystal Structure of JNK1 from Biortus. To Be Published
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8UYF
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![BU of 8uyf by Molmil](/molmil-images/mine/8uyf) | Structure of nucleotide-free Pediculus humanus (Ph) PINK1 dimer | Descriptor: | Serine/threonine-protein kinase Pink1, mitochondrial | Authors: | Gan, Z.Y, Kirk, N.S, Leis, A, Komander, D. | Deposit date: | 2023-11-13 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | Interaction of PINK1 with nucleotides and kinetin. Sci Adv, 10, 2024
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8UYI
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![BU of 8uyi by Molmil](/molmil-images/mine/8uyi) | Structure of ADP-bound and phosphorylated Pediculus humanus (Ph) PINK1 dimer | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase Pink1, ... | Authors: | Gan, Z.Y, Kirk, N.S, Leis, A, Komander, D. | Deposit date: | 2023-11-13 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Interaction of PINK1 with nucleotides and kinetin. Sci Adv, 10, 2024
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8UYH
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![BU of 8uyh by Molmil](/molmil-images/mine/8uyh) | Structure of AMP-PNP-bound Pediculus humanus (Ph) PINK1 dimer | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase Pink1, ... | Authors: | Gan, Z.Y, Kirk, N.S, Leis, A, Komander, D. | Deposit date: | 2023-11-13 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Interaction of PINK1 with nucleotides and kinetin. Sci Adv, 10, 2024
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8UV0
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![BU of 8uv0 by Molmil](/molmil-images/mine/8uv0) | |
8WM0
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![BU of 8wm0 by Molmil](/molmil-images/mine/8wm0) | Crystal structure of TNIK-thiopeptide wTP3 complex | Descriptor: | ADENOSINE, THIOPEPTIDE wTP3, TRAF2 and NCK-interacting protein kinase | Authors: | Hamada, K, Kobayashi, S, Vinogradov, A.A, Zhang, Y, Goto, Y, Suga, H, Ogata, K, Sengoku, T. | Deposit date: | 2023-10-01 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A Compact Reprogrammed Genetic Code for De Novo Discovery of Proteolytically Stable Thiopeptides. J.Am.Chem.Soc., 2024
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6E21
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![BU of 6e21 by Molmil](/molmil-images/mine/6e21) | Joint X-ray/neutron structure of PKAc with products Sr2-ADP and phosphorylated peptide SP20 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, STRONTIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Kovalevsky, A, Gerlits, O.O, Taylor, S. | Deposit date: | 2018-07-10 | Release date: | 2019-04-03 | Last modified: | 2023-10-25 | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | Cite: | Zooming in on protons: Neutron structure of protein kinase A trapped in a product complex. Sci Adv, 5, 2019
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6E2M
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![BU of 6e2m by Molmil](/molmil-images/mine/6e2m) | ASK1 kinase domain complex with inhibitor | Descriptor: | Mitogen-activated protein kinase kinase kinase 5, N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide | Authors: | Lansdon, E.B. | Deposit date: | 2018-07-11 | Release date: | 2018-09-19 | Last modified: | 2018-10-17 | Method: | X-RAY DIFFRACTION (2.253 Å) | Cite: | ASK1 contributes to fibrosis and dysfunction in models of kidney disease. J. Clin. Invest., 128, 2018
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6E2N
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![BU of 6e2n by Molmil](/molmil-images/mine/6e2n) | ASK1 kinase domain complex with inhibitor | Descriptor: | Mitogen-activated protein kinase kinase kinase 5, N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide | Authors: | Lansdon, E.B. | Deposit date: | 2018-07-11 | Release date: | 2018-09-19 | Last modified: | 2018-10-17 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | ASK1 contributes to fibrosis and dysfunction in models of kidney disease. J. Clin. Invest., 128, 2018
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6E2O
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![BU of 6e2o by Molmil](/molmil-images/mine/6e2o) | ASK1 kinase domain complex with inhibitor | Descriptor: | 4-(4-cyclopropyl-1H-imidazol-1-yl)-N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 5 | Authors: | Lansdon, E.B. | Deposit date: | 2018-07-11 | Release date: | 2018-09-19 | Last modified: | 2018-10-17 | Method: | X-RAY DIFFRACTION (2.389 Å) | Cite: | ASK1 contributes to fibrosis and dysfunction in models of kidney disease. J. Clin. Invest., 128, 2018
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6EH0
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![BU of 6eh0 by Molmil](/molmil-images/mine/6eh0) | |
6EIV
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![BU of 6eiv by Molmil](/molmil-images/mine/6eiv) | DYRK1A in complex with JWD-065 | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[3-[[4-azanyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide | Authors: | Rothweiler, U. | Deposit date: | 2017-09-19 | Release date: | 2018-08-29 | Last modified: | 2018-09-26 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors. J. Med. Chem., 61, 2018
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6EIM
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![BU of 6eim by Molmil](/molmil-images/mine/6eim) | Human STK10 bound to GW683134A | Descriptor: | 1,2-ETHANEDIOL, Serine/threonine-protein kinase 10, ~{N}-[5-[4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1~{H}-benzimidazol-2-yl]furan-2-carboxamide | Authors: | Sorrell, F.J, Berger, B.-T, Salah, E, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A.M, Knapp, S, Elkins, J.M. | Deposit date: | 2017-09-19 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Human STK10 bound to GW683134 To Be Published
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6ERW
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![BU of 6erw by Molmil](/molmil-images/mine/6erw) | Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 and Fasudil | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, ... | Authors: | Mueller, J.M, Heine, A, Klebe, G. | Deposit date: | 2017-10-19 | Release date: | 2018-10-31 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage Acs Omega, 2019
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6E99
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![BU of 6e99 by Molmil](/molmil-images/mine/6e99) | |
6ESA
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![BU of 6esa by Molmil](/molmil-images/mine/6esa) | Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and AMP | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE MONOPHOSPHATE, beta-D-ribopyranose, ... | Authors: | Mueller, J.M, Heine, A, Klebe, G. | Deposit date: | 2017-10-19 | Release date: | 2018-10-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.307 Å) | Cite: | Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage Acs Omega, 2019
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3TIY
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![BU of 3tiy by Molmil](/molmil-images/mine/3tiy) | CDK2 in complex with NSC 35676 | Descriptor: | 1,2-ETHANEDIOL, 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one, Cyclin-dependent kinase 2 | Authors: | Alam, R, Schonbrunn, E. | Deposit date: | 2011-08-22 | Release date: | 2012-08-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2. Chembiochem, 13, 2012
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3TTJ
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![BU of 3ttj by Molmil](/molmil-images/mine/3ttj) | Crystal Structure of JNK3 complexed with CC-359, a JNK inhibitor for the prevention of ischemia-reperfusion injury | Descriptor: | 9-cyclopentyl-N~8~-(2-fluorophenyl)-N~2~-(4-methoxyphenyl)-9H-purine-2,8-diamine, Mitogen-activated protein kinase 10 | Authors: | Plantevin-Krenitsky, V, Delgado, M, Nadolny, L, Sahasrabudhe, K, Ayala, S, Clareen, S, Hilgraf, R, Albers, R, Kois, A, Hughes, K, Wright, J, Nowakowski, J, Sudbeck, E, Ghosh, S, Bahmanyar, S, Chamberlain, P, Muir, J, Cathers, B.E, Giegel, D, Xu, L, Celeridad, M, Moghaddam, M, Khatsenko, O, Omholt, P, Katz, J, Pai, S, Fan, R, Tang, Y, Shirley, M.A, Benish, B, Blease, K, Raymon, H, Bhagwat, S, Bennett, B, Satoh, Y. | Deposit date: | 2011-09-14 | Release date: | 2012-01-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Aminopurine based JNK inhibitors for the prevention of ischemia reperfusion injury. Bioorg.Med.Chem.Lett., 22, 2012
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