3CKX
 
 | | Crystal structure of sterile 20-like kinase 3 (MST3, STK24) in complex with staurosporine | | Descriptor: | STAUROSPORINE, Serine/threonine-protein kinase 24 | | Authors: | Antonysamy, S.S, Burley, S.K, Buchanan, S, Chau, F, Feil, I, Wu, L, Sauder, J.M, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-03-17 | | Release date: | 2008-04-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of sterile 20-like kinase 3 (MST3, STK24) in complex with staurosporine.
To be Published
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3CQE
 | | Wee1 kinase complex with inhibitor PD074291 | | Descriptor: | 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Squire, C.J, Baker, E.N. | | Deposit date: | 2008-04-02 | | Release date: | 2009-02-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Determinants of Wee1 Inhibitor Selectivity
To be Published
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1BX6
 | | CRYSTAL STRUCTURE OF THE POTENT NATURAL PRODUCT INHIBITOR BALANOL IN COMPLEX WITH THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE | | Descriptor: | BALANOL, CAMP-DEPENDENT PROTEIN KINASE | | Authors: | Narayana, N, Xuong, N.-H, Ten Eyck, L.F, Taylor, S.S. | | Deposit date: | 1998-10-13 | | Release date: | 1999-04-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the potent natural product inhibitor balanol in complex with the catalytic subunit of cAMP-dependent protein kinase.
Biochemistry, 38, 1999
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3CR0
 | | Wee1 kinase complex with inhibitor PD259_809 | | Descriptor: | 4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-dione, CHLORIDE ION, GLYCEROL, ... | | Authors: | Squire, C.J, Baker, E.N. | | Deposit date: | 2008-04-03 | | Release date: | 2009-02-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural determinants of Wee1 inhibitor selectivity
To be Published
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9EZG
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((4-((2-aminoethyl)(ethyl)amino)-3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile | | Descriptor: | 1,2-ETHANEDIOL, 5-[[4-[2-azanylethyl(ethyl)amino]-3-(1,2,4-triazol-4-yl)phenyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ... | | Authors: | Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-04-12 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5- a ]pyrimidine Host CSNK2 Inhibitors for Combatting beta-Coronavirus Replication.
J.Med.Chem., 67, 2024
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3D5U
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1BKX
 | | A BINARY COMPLEX OF THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE AND ADENOSINE FURTHER DEFINES CONFORMATIONAL FLEXIBILITY | | Descriptor: | ADENOSINE MONOPHOSPHATE, CAMP-DEPENDENT PROTEIN KINASE | | Authors: | Narayana, N, Cox, S, Xuong, N, Ten Eyck, L.F, Taylor, S.S. | | Deposit date: | 1997-07-01 | | Release date: | 1998-03-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A binary complex of the catalytic subunit of cAMP-dependent protein kinase and adenosine further defines conformational flexibility.
Structure, 5, 1997
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3COM
 | | Crystal structure of Mst1 kinase | | Descriptor: | Serine/threonine-protein kinase 4 | | Authors: | Atwell, S, Burley, S.K, Dickey, M, Leon, B, Sauder, J.M, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-03-28 | | Release date: | 2008-04-15 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of Mst1 kinase.
To be Published
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1CDK
 | | CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT (E.C.2.7.1.37) (PROTEIN KINASE A) COMPLEXED WITH PROTEIN KINASE INHIBITOR PEPTIDE FRAGMENT 5-24 (PKI(5-24) ISOELECTRIC VARIANT CA) AND MN2+ ADENYLYL IMIDODIPHOSPHATE (MNAMP-PNP) AT PH 5.6 AND 7C AND 4C | | Descriptor: | CAMP-DEPENDENT PROTEIN KINASE, MANGANESE (II) ION, MYRISTIC ACID, ... | | Authors: | Bossemeyer, D, Engh, R.A, Kinzel, V, Ponstingl, H, Huber, R. | | Deposit date: | 1994-07-04 | | Release date: | 1995-10-15 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Phosphotransferase and substrate binding mechanism of the cAMP-dependent protein kinase catalytic subunit from porcine heart as deduced from the 2.0 A structure of the complex with Mn2+ adenylyl imidodiphosphate and inhibitor peptide PKI(5-24).
EMBO J., 12, 1993
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9CMZ
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3CY2
 | | Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a beta carboline ligand II | | Descriptor: | (4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Filippakopoulos, P, Bullock, A, Fedorov, O, Huber, K, Bracher, F, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-04-25 | | Release date: | 2008-07-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | 7,8-Dichloro-1-oxo-beta-carbolines as a Versatile Scaffold for the Development of Potent and Selective Kinase Inhibitors with Unusual Binding Modes
J.Med.Chem., 55, 2012
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3D15
 | | Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-(3-chloro-phenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)- ethyl]-thiazol-2-yl}-urea [SNS-314] | | Descriptor: | 1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea, serine/threonine kinase 6 | | Authors: | Elling, R.A, Bui, M, Allen, D.A, Oslob, J.D, Romanowski, M.J. | | Deposit date: | 2008-05-04 | | Release date: | 2009-05-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of a potent and selective aurora kinase inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008
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3CEK
 | | Crystal structure of human dual specificity protein kinase (TTK) | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK | | Authors: | Filippakopoulos, P, Soundararajan, M, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, Roos, A, Pilka, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-02-29 | | Release date: | 2008-03-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function.
Nat.Chem.Biol., 6, 2010
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9EZ3
 | | Crystal structure of human CLK3 bound to RN129 | | Descriptor: | 1-(5-~{tert}-butyl-2-quinolin-6-yl-pyrazol-3-yl)-3-[3-(4-morpholin-4-yl-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]urea, Dual specificity protein kinase CLK3, SULFATE ION | | Authors: | Kraemer, A, Raig, N, Knapp, S. | | Deposit date: | 2024-04-10 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of human CLK3 bound to RN129
To Be Published
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3COH
 | | Crystal structure of Aurora-A in complex with a pentacyclic inhibitor | | Descriptor: | 8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one, Serine/threonine-protein kinase 6 | | Authors: | Wiesmann, C, Raswson, T.E, Cochran, A.G. | | Deposit date: | 2008-03-28 | | Release date: | 2009-02-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A pentacyclic aurora kinase inhibitor (AKI-001) with high in vivo potency and oral bioavailability.
J.Med.Chem., 51, 2008
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9EP8
 | | Crystal structure of ROCK2 in complex with a 8-(azaindolyl)-benzoazepinone inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 8-(azaindolyl)-benzoazepinone, Rho-associated protein kinase 2 | | Authors: | Pala, D, Clark, D, Pioselli, B, Accetta, A, Rancati, F. | | Deposit date: | 2024-03-18 | | Release date: | 2024-09-25 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Design and synthesis of novel 8-(azaindolyl)-benzoazepinones as potent and selective ROCK inhibitors.
Rsc Med Chem, 2024
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9FYF
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with TR06772818 | | Descriptor: | Casein kinase II subunit alpha, SULFATE ION, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-4-fluoranyl-2-[(3~{S})-3-(methylamino)piperidin-1-yl]phenyl]propanamide | | Authors: | Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-07-03 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with TR06772818
To Be Published
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9FR2
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9FET
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1CM8
 | | PHOSPHORYLATED MAP KINASE P38-GAMMA | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PHOSPHORYLATED MAP KINASE P38-GAMMA | | Authors: | Bellon, S, Fitzgibbon, M.J, Fox, T, Hsiao, H.M, Wilson, K.P. | | Deposit date: | 1999-05-17 | | Release date: | 2000-05-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The structure of phosphorylated p38gamma is monomeric and reveals a conserved activation-loop conformation.
Structure Fold.Des., 7, 1999
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1CKP
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR PURVALANOL B | | Descriptor: | 1,2-ETHANEDIOL, PROTEIN (CYCLIN-DEPENDENT PROTEIN KINASE 2), PURVALANOL B | | Authors: | Gray, N.S, Thunnissen, A.M.W.H, Schultz, P.G, Kim, S.H. | | Deposit date: | 1998-07-14 | | Release date: | 1999-01-13 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Exploiting chemical libraries, structure, and genomics in the search for kinase inhibitors.
Science, 281, 1998
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9DUE
 | | Crystal Structure of Human DAPK1 Catalytic Subunit Complexed with Compound SRM-07-081a | | Descriptor: | 3-chloro-6-(4-methylpiperazin-1-yl)-4-(pyridin-4-yl)pyridazine, BORIC ACID, Death-associated protein kinase 1, ... | | Authors: | Minasov, G, Winsor, J, Roy, S.M, Watterson, D.M, Shuvalova, L. | | Deposit date: | 2024-10-02 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal Structure of Human DAPK1 Catalytic Subunit Complexed with Compound SRM-07-081a
To Be Published
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1CKJ
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1CKI
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1CSN
 | | BINARY COMPLEX OF CASEIN KINASE-1 WITH MGATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CASEIN KINASE-1, MAGNESIUM ION, ... | | Authors: | Xu, R.-M, Cheng, X. | | Deposit date: | 1995-04-25 | | Release date: | 1995-07-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of casein kinase-1, a phosphate-directed protein kinase.
EMBO J., 14, 1995
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