4NJD
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![BU of 4njd by Molmil](/molmil-images/mine/4njd) | Structure of p21-activated kinase 4 with a novel inhibitor KY-04031 | Descriptor: | N-(1H-indazol-5-yl)-N'-[2-(1H-indol-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine, Serine/threonine-protein kinase PAK 4 | Authors: | Park, S. | Deposit date: | 2013-11-09 | Release date: | 2014-05-21 | Last modified: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery and the structural basis of a novel p21-activated kinase 4 inhibitor. Cancer Lett., 349, 2014
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6FYR
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![BU of 6fyr by Molmil](/molmil-images/mine/6fyr) | X-RAY STRUCTURE OF CLK3-KD(GP-[275-632], NON-PHOS.)/Cpd-2 AT 1.42A | Descriptor: | 6-~{tert}-butyl-~{N}-[6-(1~{H}-pyrazol-4-yl)-1~{H}-imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide, Dual specificity protein kinase CLK3 | Authors: | Kallen, J. | Deposit date: | 2018-03-12 | Release date: | 2018-07-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome. ChemMedChem, 13, 2018
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4NM5
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![BU of 4nm5 by Molmil](/molmil-images/mine/4nm5) | Crystal structure of GSK-3/Axin complex bound to phosphorylated Wnt receptor LRP6 c-motif | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Axin-1, CHLORIDE ION, ... | Authors: | Stamos, J.L, Chu, M.L.-H, Enos, M.D, Shah, N, Weis, W.I. | Deposit date: | 2013-11-14 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6. Elife, 3, 2014
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6G33
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![BU of 6g33 by Molmil](/molmil-images/mine/6g33) | Crystal structure of CLK1 in complex with 5-iodotubercidin | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Dual specificity protein kinase CLK1, IODIDE ION, ... | Authors: | Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-24 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times. Angew. Chem. Int. Ed. Engl., 57, 2018
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6G54
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![BU of 6g54 by Molmil](/molmil-images/mine/6g54) | Crystal structure of ERK2 covalently bound to SM1-71 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Mitogen-activated protein kinase 1, ... | Authors: | Chaikuad, A, Suman, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-29 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome. Cell Chem Biol, 26, 2019
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6FYP
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![BU of 6fyp by Molmil](/molmil-images/mine/6fyp) | X-RAY STRUCTURE OF CLK3-KD(GP-[275-632], NON-PHOS.)/CX-4945 AT 2.29A | Descriptor: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Dual specificity protein kinase CLK3 | Authors: | Kallen, J. | Deposit date: | 2018-03-12 | Release date: | 2018-07-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome. ChemMedChem, 13, 2018
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4O0U
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4O0Y
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![BU of 4o0y by Molmil](/molmil-images/mine/4o0y) | Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors | Descriptor: | 4-[1-(4-amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1H-benzimidazol-6-yl]-2-methylbut-3-yn-2-ol, Serine/threonine-protein kinase PAK 4 | Authors: | Rouge, L, Tam, C, Wang, W. | Deposit date: | 2013-12-14 | Release date: | 2014-02-12 | Last modified: | 2014-02-26 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors. J.Med.Chem., 57, 2014
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6G9N
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6FYI
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![BU of 6fyi by Molmil](/molmil-images/mine/6fyi) | X-ray Structure of CLK2-KD(130-496)/TG003 at 2.6A | Descriptor: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, Dual specificity protein kinase CLK2 | Authors: | Kallen, J. | Deposit date: | 2018-03-12 | Release date: | 2018-07-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome. ChemMedChem, 13, 2018
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4O6E
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![BU of 4o6e by Molmil](/molmil-images/mine/4o6e) | Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine Inhibitors of Erk2 | Descriptor: | Mitogen-activated protein kinase 1, N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2H-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide | Authors: | Yin, J, Wang, W. | Deposit date: | 2013-12-20 | Release date: | 2014-05-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2. Bioorg.Med.Chem.Lett., 24, 2014
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6GES
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![BU of 6ges by Molmil](/molmil-images/mine/6ges) | Crystal structure of ERK1 covalently bound to SM1-71 | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 3, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide, ... | Authors: | Chaikuad, A, Suman, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-04-27 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome. Cell Chem Biol, 26, 2019
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6FXV
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![BU of 6fxv by Molmil](/molmil-images/mine/6fxv) | |
4OW8
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![BU of 4ow8 by Molmil](/molmil-images/mine/4ow8) | Crystal structure of kinase domain of PknA from Mtb | Descriptor: | GLYCEROL, SULFATE ION, Serine/threonine-protein kinase PknA | Authors: | Ravala, S.K, Singh, S, Yadav, G.S, Karthikeyan, S, Chakraborti, P.K. | Deposit date: | 2014-01-31 | Release date: | 2015-02-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Evidence that phosphorylation of threonine in the GT motif triggers activation of PknA, a eukaryotic-type serine/threonine kinase from Mycobacterium tuberculosis. Febs J., 282, 2015
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6G91
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6G78
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![BU of 6g78 by Molmil](/molmil-images/mine/6g78) | RSK4 N-terminal Kinase Domain S232E in complex with AMP-PNP | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-6 | Authors: | Prischi, F, Ali, M.M. | Deposit date: | 2018-04-04 | Release date: | 2019-04-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Repurposed floxacins targeting RSK4 prevent chemoresistance and metastasis in lung and bladder cancer. Sci Transl Med, 13, 2021
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6G9K
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4OH4
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![BU of 4oh4 by Molmil](/molmil-images/mine/4oh4) | Crystal structure of BRI1 in complex with BKI1 | Descriptor: | BRI1 kinase inhibitor 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein BRASSINOSTEROID INSENSITIVE 1 | Authors: | Wang, J, Wang, J, Wu, J.W, Wang, Z.X. | Deposit date: | 2014-01-17 | Release date: | 2014-10-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural insights into the negative regulation of BRI1 signaling by BRI1-interacting protein BKI1. Cell Res., 24, 2014
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6G77
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![BU of 6g77 by Molmil](/molmil-images/mine/6g77) | RSK4 N-terminal Kinase Domain in complex with AMP-PNP | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-6, ZINC ION | Authors: | Prischi, F, Ali, M.M. | Deposit date: | 2018-04-04 | Release date: | 2019-04-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.499 Å) | Cite: | Repurposed floxacins targeting RSK4 prevent chemoresistance and metastasis in lung and bladder cancer. Sci Transl Med, 13, 2021
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6GE0
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6GI6
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![BU of 6gi6 by Molmil](/molmil-images/mine/6gi6) | Crystal structure of the ACVR1 (ALK2) kinase in complex with a Quinazolinone based ALK2 inhibitor with a 5-methyl core. | Descriptor: | 1,2-ETHANEDIOL, 5-methyl-6-quinolin-5-yl-3~{H}-quinazolin-4-one, Activin receptor type-1, ... | Authors: | Williams, E, Hudson, L, Bezerra, G.A, Sorrell, F, Mahajan, P, Kupinska, K, Hoelder, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2018-05-10 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Novel Quinazolinone Inhibitors of ALK2 Flip between Alternate Binding Modes: Structure-Activity Relationship, Structural Characterization, Kinase Profiling, and Cellular Proof of Concept. J. Med. Chem., 61, 2018
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6GIH
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![BU of 6gih by Molmil](/molmil-images/mine/6gih) | Crystal Structure of CK2alpha with CAM187 bound | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-5-(1~{H}-indol-4-yl)phenyl]methanamine | Authors: | Brear, P, Iegre, J, North, A, De Fusco, C, Georgiou, K, Lubin, A, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2018-05-11 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Novel non-ATP competitive small molecules targeting the CK2 alpha / beta interface. Bioorg. Med. Chem., 26, 2018
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6GJO
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4O6L
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![BU of 4o6l by Molmil](/molmil-images/mine/4o6l) | Crystal Structure of TTK kinase domain with an inhibitor: 401498 (N-[(1R)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1H-indazole-5-carboxamide) | Descriptor: | Dual specificity protein kinase TTK, GLYCEROL, N-[(1R)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1H-indazole-5-carboxamide | Authors: | Qiu, W, Plotnikova, O, Feher, M, Awrey, D.E, Chirgadze, N.Y. | Deposit date: | 2013-12-22 | Release date: | 2014-12-24 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Crystal Structure of TTK kinase domain with an inhibitor: 401498 TO BE PUBLISHED
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6GUH
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![BU of 6guh by Molmil](/molmil-images/mine/6guh) | CDK2 in complex with AZD5438 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, 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 (1.5 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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