4AA5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4aa5 by Molmil](/molmil-images/mine/4aa5) | P38ALPHA MAP KINASE BOUND TO CMPD 33 | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-CYCLOPROPYL-4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]BENZAMIDE | Authors: | Gerhardt, S, Hargreaves, D. | Deposit date: | 2011-11-30 | Release date: | 2012-05-16 | Last modified: | 2019-02-06 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases Bioorg.Med.Chem.Lett., 22, 2012
|
|
2V11
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v11 by Molmil](/molmil-images/mine/2v11) | Crystal Structure of Renin with Inhibitor 6 | Descriptor: | (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE, RENIN | Authors: | Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G. | Deposit date: | 2007-05-21 | Release date: | 2007-07-03 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin Chem.Biol., 7, 2000
|
|
4A9S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a9s by Molmil](/molmil-images/mine/4a9s) | CRYSTAL STRUCTURE OF HUMAN CHK2 IN COMPLEX WITH BENZIMIDAZOLE CARBOXAMIDE INHIBITOR | Descriptor: | 2-(4-(3-HYDROXYPHENOXY)PHENYL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | Authors: | Matijssen, C, Silva-Santisteban, M.C, Westwood, I.M, Siddique, S, Choi, V, Sheldrake, P, van Montfort, R.L.M, Blagg, J. | Deposit date: | 2011-11-28 | Release date: | 2012-10-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Benzimidazole Inhibitors of the Protein Kinase Chk2: Clarification of the Binding Mode by Flexible Side Chain Docking and Protein-Ligand Crystallography. Bioorg.Med.Chem., 20, 2012
|
|
4FG9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fg9 by Molmil](/molmil-images/mine/4fg9) | Crystal structure of human calcium/calmodulin-dependent protein kinase I 1-320 in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type 1 | Authors: | Zha, M, Zhong, C, Ou, Y, Wang, J, Han, L, Ding, J. | Deposit date: | 2012-06-04 | Release date: | 2013-01-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of human CaMKIalpha reveal insights into the regulation mechanism of CaMKI. Plos One, 7, 2012
|
|
4ACG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4acg by Molmil](/molmil-images/mine/4acg) | GSK3b in complex with inhibitor | Descriptor: | 2-AMINO-5-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-[4-(PYRROLIDIN-1-YLMETHYL)PYRIDIN-3-YL]PYRIDINE-3-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA | Authors: | Xue, Y, Ormo, M. | Deposit date: | 2011-12-15 | Release date: | 2012-05-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines. J. Med. Chem., 55, 2012
|
|
4FIG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fig by Molmil](/molmil-images/mine/4fig) | Catalytic domain of human PAK4 | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase PAK 4 | Authors: | Ha, B.H, Boggon, T.J. | Deposit date: | 2012-06-08 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Type II p21-activated kinases (PAKs) are regulated by an autoinhibitory pseudosubstrate. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
4FKV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fkv by Molmil](/molmil-images/mine/4fkv) | Crystal structure of the cdk2 in complex with oxindole inhibitor | Descriptor: | (3Z)-N-[2-(1H-imidazol-4-yl)ethyl]-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxamide, Cyclin-dependent kinase 2, GLYCEROL | Authors: | Kang, Y.N, Stuckey, J.A. | Deposit date: | 2012-06-13 | Release date: | 2013-05-08 | Last modified: | 2013-05-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of the cdk2 in complex with oxindole inhibitor To be Published
|
|
4GUE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gue by Molmil](/molmil-images/mine/4gue) | Structure of N-terminal kinase domain of RSK2 with flavonoid glycoside quercitrin | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, MAGNESIUM ION, Ribosomal protein S6 kinase alpha-3, ... | Authors: | Derewenda, U, Utepbergenov, D, Szukalska, G, Derewenda, Z.S. | Deposit date: | 2012-08-29 | Release date: | 2013-01-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of quercitrin as an inhibitor of the p90 S6 ribosomal kinase (RSK): structure of its complex with the N-terminal domain of RSK2 at 1.8 A resolution. Acta Crystallogr.,Sect.D, 69, 2013
|
|
4APP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4app by Molmil](/molmil-images/mine/4app) | Crystal Structure of the Human p21-Activated Kinase 4 in Complex with (S)-N-(5-(3-benzyl-1-methylpiperazine-4-carbonyl)-6,6-dimethyl-1,4,5, 6-tetrahydropyrrolo(3,4-c)pyrazol-3-yl)-3-phenoxybenzamide | Descriptor: | GLYCEROL, N-[6,6-dimethyl-5-[(2S)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide, SERINE/THREONINE-PROTEIN KINASE PAK 4 | Authors: | Knighton, D.D, Deng, Y.L, Wang, C, Guo, C, McAlpine, I, Zhang, J, Kephart, S, Johnson, M.C, Li, H, Bouzida, D, Yang, A, Dong, L, Marakovits, J, Tikhe, J, Richardson, P, Guo, L.C, Kania, R, Edwards, M.P, Kraynov, E, Christensen, J, Piraino, J, Lee, J, Dagostino, E, Del-Carmen, C, Smeal, T, Murray, B.W. | Deposit date: | 2012-04-04 | Release date: | 2012-06-06 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of Pyrroloaminopyrazoles as Novel Pak Inhibitors. J.Med.Chem., 55, 2012
|
|
4BTK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4btk by Molmil](/molmil-images/mine/4btk) | TTBK1 in complex with inhibitor | Descriptor: | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, DIMETHYL SULFOXIDE, TAU-TUBULIN KINASE 1 | Authors: | Xue, Y, Wan, P, Hillertz, P, Schweikart, F, Zhao, Y, Wissler, L, Dekker, N. | Deposit date: | 2013-06-18 | Release date: | 2013-09-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-Ray Structural Analysis of Tau-Tubulin Kinase 1 and its Interactions with Small Molecular Inhibitors. Chemmedchem, 8, 2013
|
|
4FIH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fih by Molmil](/molmil-images/mine/4fih) | |
4FKQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fkq by Molmil](/molmil-images/mine/4fkq) | Crystal structure of the cdk2 in complex with oxindole inhibitor | Descriptor: | 4-[(2Z)-2-(7-oxidanylidene-3,6-dihydropyrrolo[3,2-e]benzotriazol-8-ylidene)hydrazinyl]benzenesulfonamide, Cyclin-dependent kinase 2, GLYCEROL | Authors: | Kang, Y.N, Stuckey, J.A. | Deposit date: | 2012-06-13 | Release date: | 2013-05-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of the cdk2 in complex with oxindole inhibitor To be Published
|
|
4FMQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fmq by Molmil](/molmil-images/mine/4fmq) | |
4FKI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fki by Molmil](/molmil-images/mine/4fki) | |
4FKT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fkt by Molmil](/molmil-images/mine/4fkt) | |
4BDF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bdf by Molmil](/molmil-images/mine/4bdf) | Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) | Descriptor: | 1,2-ETHANEDIOL, 5-METHYL-3-PHENYL-1H-PYRAZOLE, NITRATE ION, ... | Authors: | Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M. | Deposit date: | 2012-10-05 | Release date: | 2013-06-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2. Plos One, 8, 2013
|
|
4FGB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fgb by Molmil](/molmil-images/mine/4fgb) | Crystal structure of human calcium/calmodulin-dependent protein kinase I apo form | Descriptor: | Calcium/calmodulin-dependent protein kinase type 1 | Authors: | Zha, M, Zhong, C, Ou, Y, Wang, J, Han, L, Ding, J. | Deposit date: | 2012-06-04 | Release date: | 2013-01-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of human CaMKIalpha reveal insights into the regulation mechanism of CaMKI. Plos One, 7, 2012
|
|
4FKG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fkg by Molmil](/molmil-images/mine/4fkg) | |
4FKS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fks by Molmil](/molmil-images/mine/4fks) | Crystal structure of the cdk2 in complex with oxindole inhibitor | Descriptor: | Cyclin-dependent kinase 2, N-[(4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}phenyl)sulfonyl]acetamide | Authors: | Kang, Y.N, Stuckey, J.A. | Deposit date: | 2012-06-13 | Release date: | 2013-05-08 | Last modified: | 2013-05-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structure of the cdk2 in complex with oxindole inhibitor To be Published
|
|
4FIJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fij by Molmil](/molmil-images/mine/4fij) | Catalytic domain of human PAK4 | Descriptor: | Serine/threonine-protein kinase PAK 4 | Authors: | Ha, B.H, Boggon, T.J. | Deposit date: | 2012-06-08 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Type II p21-activated kinases (PAKs) are regulated by an autoinhibitory pseudosubstrate. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
4FKU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fku by Molmil](/molmil-images/mine/4fku) | |
4FR4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fr4 by Molmil](/molmil-images/mine/4fr4) | Crystal structure of human serine/threonine-protein kinase 32A (YANK1) | Descriptor: | 1,2-ETHANEDIOL, STAUROSPORINE, Serine/threonine-protein kinase 32A | Authors: | Chaikuad, A, Elkins, J.M, Krojer, T, Mahajan, P, Goubin, S, Szklarz, M, Tumber, A, Wang, J, Savitsky, P, Shrestha, B, Daga, N, Picaud, S, Fedorov, O, Allerston, C.K, Latwiel, S.V.A, Vollmar, M, Canning, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2012-06-26 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Crystal structure of human serine/threonine-protein kinase 32A (YANK1) To be Published
|
|
4B7T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4b7t by Molmil](/molmil-images/mine/4b7t) | Glycogen Synthase Kinase 3 Beta complexed with Axin Peptide and Leucettine L4 | Descriptor: | (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-(propan-2-ylamino)imidazol-4-one, AXIN-1, GLYCOGEN SYNTHASE KINASE-3 BETA | Authors: | Oberholzer, A.E, Pearl, L.H. | Deposit date: | 2012-08-22 | Release date: | 2013-01-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.772 Å) | Cite: | Selectivity, Cocrystal Structures, and Neuroprotective Properties of Leucettines, a Family of Protein Kinase Inhibitors Derived from the Marine Sponge Alkaloid Leucettamine B. J.Med.Chem., 55, 2012
|
|
4BC6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bc6 by Molmil](/molmil-images/mine/4bc6) | Crystal structure of human serine threonine kinase-10 bound to novel Bosutinib Isoform 1, previously thought to be Bosutinib | Descriptor: | 1,2-ETHANEDIOL, 4-[(3,5-DICHLORO-4-METHOXYPHENYL)AMINO]-6-METHOXY-7-[3-(4-METHYLPIPERAZIN-1-YL)PROPOXY]QUINOLINE-3-CARBONITRILE, SERINE/THREONINE-PROTEIN KINASE 10 | Authors: | Vollmar, M, Szklarz, M, Chaikuad, A, Elkins, J, Savitsky, P, Azeez, K.A, Salah, E, Krojer, T, Canning, P, Muniz, J.R.C, Bountra, C, Arrowsmith, C.H, von Delft, F, Weigelt, J, Edwards, A, Knapp, S. | Deposit date: | 2012-10-01 | Release date: | 2012-10-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of Human Serine Threonine Kinase- 10 Bound to Novel Bosutinib Isoform 1, Previously Thought to be Bosutinib To be Published
|
|
3ZO3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zo3 by Molmil](/molmil-images/mine/3zo3) | The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors | Descriptor: | 6-(2,9-DIAZASPIRO[5.5]UNDECAN-2-YL)-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ... | Authors: | Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I. | Deposit date: | 2013-02-20 | Release date: | 2013-03-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases. Bioorg. Med. Chem., 21, 2013
|
|