4OTH
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![BU of 4oth by Molmil](/molmil-images/mine/4oth) | Crystal Structure of PRK1 Catalytic Domain in Complex with Ro-31-8220 | Descriptor: | BISINDOLYLMALEIMIDE IX, Serine/threonine-protein kinase N1 | Authors: | Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B. | Deposit date: | 2014-02-13 | Release date: | 2014-08-27 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes. Plos One, 9, 2014
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4PL5
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![BU of 4pl5 by Molmil](/molmil-images/mine/4pl5) | Crystal structure of murine IRE1 in complex with OICR573 inhibitor | Descriptor: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Sanches, M, Duffy, N, Talukdar, M, Thevakumaran, N, Chiovitti, D, Al-awar, R, Patterson, J.B, Sicheri, F. | Deposit date: | 2014-05-16 | Release date: | 2014-09-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors. Nat Commun, 5, 2014
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4PNK
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![BU of 4pnk by Molmil](/molmil-images/mine/4pnk) | G protein-coupled receptor kinase 2 in complex with GSK180736A | Descriptor: | (4S)-4-(4-fluorophenyl)-N-(2H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Homan, K.T, Larimore, K.M, Elkins, J, Knapp, S, Tesmer, J.J.G. | Deposit date: | 2014-05-23 | Release date: | 2014-10-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Identification and structure-function analysis of subfamily selective g protein-coupled receptor kinase inhibitors. Acs Chem.Biol., 10, 2015
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4QFG
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![BU of 4qfg by Molmil](/molmil-images/mine/4qfg) | |
4QFR
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![BU of 4qfr by Molmil](/molmil-images/mine/4qfr) | Structure of AMPK in complex with Cl-A769662 activator and STAUROSPORINE inhibitor | Descriptor: | 2-chloro-4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, ... | Authors: | Calabrese, M.F, Kurumbail, R.G. | Deposit date: | 2014-05-21 | Release date: | 2014-08-06 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (3.34 Å) | Cite: | Structural Basis for AMPK Activation: Natural and Synthetic Ligands Regulate Kinase Activity from Opposite Poles by Different Molecular Mechanisms. Structure, 22, 2014
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4QOX
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![BU of 4qox by Molmil](/molmil-images/mine/4qox) | Crystal Structure of CDPK4 from Plasmodium Falciparum, PF3D7_0717500 | Descriptor: | 3-(3-bromobenzyl)-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calcium-dependent protein kinase 4, MAGNESIUM ION | Authors: | Wernimont, A.K, Walker, J.R, Hutchinson, A, Seitova, A, He, H, Loppnau, P, Neculai, M, Amani, M, Lin, Y.H, Ravichandran, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-20 | Release date: | 2014-09-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.748 Å) | Cite: | Crystal Structure of CDPK4 from Plasmodium Falciparum, PF3D7_0717500 TO BE PUBLISHED
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4RED
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![BU of 4red by Molmil](/molmil-images/mine/4red) | Crystal structure of human AMPK alpha1 KD-AID with K43A mutation | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1 | Authors: | Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K. | Deposit date: | 2014-09-22 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural basis of AMPK regulation by adenine nucleotides and glycogen. Cell Res., 25, 2015
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4RA4
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![BU of 4ra4 by Molmil](/molmil-images/mine/4ra4) | Crystal Structure of Human Protein Kinase C Alpha in Complex with Compound 28 ((R)-6-((3S,4S)-1,3-Dimethyl-piperidin-4-yl)-7-(2-fluoro-phenyl)-4-methyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one) | Descriptor: | (1R)-9-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, Protein kinase C | Authors: | Argiriadi, M.A, George, D.M. | Deposit date: | 2014-09-09 | Release date: | 2014-10-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Optimized Protein Kinase C theta (PKC theta ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis. J.Med.Chem., 58, 2015
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4RER
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![BU of 4rer by Molmil](/molmil-images/mine/4rer) | Crystal structure of the phosphorylated human alpha1 beta2 gamma1 holo-AMPK complex bound to AMP and cyclodextrin | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, ... | Authors: | Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K. | Deposit date: | 2014-09-23 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (4.047 Å) | Cite: | Structural basis of AMPK regulation by adenine nucleotides and glycogen. Cell Res., 25, 2015
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4RA5
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![BU of 4ra5 by Molmil](/molmil-images/mine/4ra5) | Human Protein Kinase C THETA IN COMPLEX WITH LIGAND COMPOUND 11a (6-[(1,3-Dimethyl-azetidin-3-yl)-methyl-amino]-4(R)-methyl-7-phenyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one) | Descriptor: | (1R)-9-[(1,3-dimethylazetidin-3-yl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, 1,2-ETHANEDIOL, HUMAN PROTEIN KINASE C THETA, ... | Authors: | Argiriadi, M.A, George, D.M. | Deposit date: | 2014-09-09 | Release date: | 2014-10-08 | Last modified: | 2015-02-04 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Optimized Protein Kinase C theta (PKC theta ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis. J.Med.Chem., 58, 2015
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4REW
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![BU of 4rew by Molmil](/molmil-images/mine/4rew) | Crystal structure of the non-phosphorylated human alpha1 beta2 gamma1 holo-AMPK complex | Descriptor: | 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, ... | Authors: | Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K. | Deposit date: | 2014-09-24 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (4.58 Å) | Cite: | Structural basis of AMPK regulation by adenine nucleotides and glycogen. Cell Res., 25, 2015
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4RGJ
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![BU of 4rgj by Molmil](/molmil-images/mine/4rgj) | Apo crystal structure of CDPK4 from Plasmodium falciparum, PF3D7_0717500 | Descriptor: | Calcium-dependent protein kinase 4 | Authors: | Wernimont, A.K, Walker, J.R, Hutchinson, A, Seitova, A, He, H, Loppnau, P, Neculai, M, Amani, M, Lin, Y.H, Ravichandran, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Structural Genomics Consortium (SGC) | Deposit date: | 2014-09-30 | Release date: | 2014-10-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Apo crystal structure of CDPK4 from Plasmodium falciparum, PF3D7_0717500 To be Published
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4PL4
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![BU of 4pl4 by Molmil](/molmil-images/mine/4pl4) | Crystal structure of murine IRE1 in complex with OICR464 inhibitor | Descriptor: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenol, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Sanches, M, Duffy, N, Talukdar, M, Thevakumaran, N, Chiovitti, D, Al-awar, R, Patterson, J.B, Sicheri, F. | Deposit date: | 2014-05-16 | Release date: | 2014-09-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors. Nat Commun, 5, 2014
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4Q9Z
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![BU of 4q9z by Molmil](/molmil-images/mine/4q9z) | Human Protein Kinase C Theta in Complex with Compound35 ((1R)-9-(AZETIDIN-3-YLAMINO)-1,8-DIMETHYL-3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE) | Descriptor: | (1R)-9-(azetidin-3-ylamino)-1,8-dimethyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, HUMAN PROTEIN KINASE C THETA, SODIUM ION | Authors: | Argiriadi, M.A, George, D.M. | Deposit date: | 2014-05-02 | Release date: | 2014-07-02 | Last modified: | 2015-01-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of Selective and Orally Bioavailable Protein Kinase C theta (PKC theta ) Inhibitors from a Fragment Hit. J.Med.Chem., 58, 2015
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4QFS
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![BU of 4qfs by Molmil](/molmil-images/mine/4qfs) | Structure of AMPK in complex with Br2-A769662core activator and STAUROSPORINE inhibitor | Descriptor: | 2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, ... | Authors: | Calabrese, M.F, Kurumbail, R.G. | Deposit date: | 2014-05-21 | Release date: | 2014-08-06 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (3.55 Å) | Cite: | Structural Basis for AMPK Activation: Natural and Synthetic Ligands Regulate Kinase Activity from Opposite Poles by Different Molecular Mechanisms. Structure, 22, 2014
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4OTD
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![BU of 4otd by Molmil](/molmil-images/mine/4otd) | Crystal Structure of PRK1 Catalytic Domain | Descriptor: | Serine/threonine-protein kinase N1 | Authors: | Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B. | Deposit date: | 2014-02-13 | Release date: | 2014-08-27 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes. Plos One, 9, 2014
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4OGR
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![BU of 4ogr by Molmil](/molmil-images/mine/4ogr) | |
4PNI
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![BU of 4pni by Molmil](/molmil-images/mine/4pni) | Bovine G protein-coupled receptor kinase 1 in complex with GSK2163632A | Descriptor: | 3-[(2-{[1-(N,N-dimethylglycyl)-6-methoxy-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-7-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]thiophene-2-carboxamide, CHLORIDE ION, Rhodopsin kinase | Authors: | Homan, K.T, Tesmer, J.J.G. | Deposit date: | 2014-05-23 | Release date: | 2014-10-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Identification and structure-function analysis of subfamily selective g protein-coupled receptor kinase inhibitors. Acs Chem.Biol., 10, 2015
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4TTH
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![BU of 4tth by Molmil](/molmil-images/mine/4tth) | Crystal structure of a CDK6/Vcyclin complex with inhibitor bound | Descriptor: | 9-cyclopentyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine, Cyclin homolog, Cyclin-dependent kinase 6 | Authors: | Piper, D.E, Walker, N, Wang, Z. | Deposit date: | 2014-06-20 | Release date: | 2014-08-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of AMG 925, a FLT3 and CDK4 dual kinase inhibitor with preferential affinity for the activated state of FLT3. J.Med.Chem., 57, 2014
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4TND
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![BU of 4tnd by Molmil](/molmil-images/mine/4tnd) | |
4TNB
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![BU of 4tnb by Molmil](/molmil-images/mine/4tnb) | |
4PL3
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![BU of 4pl3 by Molmil](/molmil-images/mine/4pl3) | Crystal structure of murine IRE1 in complex with MKC9989 inhibitor | Descriptor: | 7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2H-chromen-2-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Sanches, M, Duffy, N, Talukdar, M, Thevakumaran, N, Chiovitti, D, Al-awar, R, Patterson, J.B, Sicheri, F. | Deposit date: | 2014-05-16 | Release date: | 2014-09-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors. Nat Commun, 5, 2014
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6QTG
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![BU of 6qtg by Molmil](/molmil-images/mine/6qtg) | Crystal structure of human CDK8/CYCC in complex with BI-1347 | Descriptor: | 2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{N},~{N}-dimethyl-ethanamide, Cyclin-C, Cyclin-dependent kinase 8 | Authors: | Boettcher, J. | Deposit date: | 2019-02-25 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance. Mol.Cancer Ther., 19, 2020
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6XBZ
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![BU of 6xbz by Molmil](/molmil-images/mine/6xbz) | Structure of the human CDK-activating kinase | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | Authors: | Greber, B.J, Perez-Bertoldi, J.M, Lim, K, Iavarone, A.T, Toso, D.B, Nogales, E. | Deposit date: | 2020-06-07 | Release date: | 2020-09-09 | Last modified: | 2020-09-30 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | The cryoelectron microscopy structure of the human CDK-activating kinase. Proc.Natl.Acad.Sci.USA, 117, 2020
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6RSR
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![BU of 6rsr by Molmil](/molmil-images/mine/6rsr) | TBK1 in complex with compound 2 | Descriptor: | Serine/threonine-protein kinase TBK1, ~{N}-(cyclopropen-1-ylmethyl)-2-[[4-[[4-[3,3,3-tris(fluoranyl)propanoyl]piperazin-1-yl]methyl]pyridin-2-yl]amino]-1~{H}-benzimidazole-5-carboxamide | Authors: | Panne, D, Hillig, R.C, Rengachari, S. | Deposit date: | 2019-05-22 | Release date: | 2020-01-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor. J.Med.Chem., 63, 2020
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