3DDP
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3LQ5
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![BU of 3lq5 by Molmil](/molmil-images/mine/3lq5) | Structure of CDK9/CyclinT in complex with S-CR8 | Descriptor: | (2S)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol, Cell division protein kinase 9, Cyclin-T1 | Authors: | Hole, A.J, Endicott, J.A, Baumli, S. | Deposit date: | 2010-02-08 | Release date: | 2011-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | CDK Inhibitors Roscovitine and CR8 Trigger Mcl-1 Down-Regulation and Apoptotic Cell Death in Neuroblastoma Cells Genes Cancer, 1, 2010
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8KGS
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8KGL
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8KGR
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![BU of 8kgr by Molmil](/molmil-images/mine/8kgr) | Structure of African swine fever virus topoisomerase II in complex with dsDNA | Descriptor: | DNA (32-MER), DNA (33-MER), DNA topoisomerase 2, ... | Authors: | Cong, J, Xin, U, Li, X, Chen, Y. | Deposit date: | 2023-08-19 | Release date: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of African swine fever virus topoisomerase II in complex with dsDNA To Be Published
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8KGQ
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8KGM
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8KGN
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2BRK
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2BRL
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3WSA
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![BU of 3wsa by Molmil](/molmil-images/mine/3wsa) | The Tuberculosis Drug SQ109 Inhibits Trypanosoma cruzi Cell Proliferation and acts Synergistically with Posaconazole | Descriptor: | N-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine, Squalene synthase | Authors: | Shang, N, Li, Q, Huang, C.H, Oldfield, E, Guo, R.T. | Deposit date: | 2014-03-05 | Release date: | 2015-04-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | SQ109, a new drug lead for Chagas disease. Antimicrob.Agents Chemother., 59, 2015
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1NS3
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![BU of 1ns3 by Molmil](/molmil-images/mine/1ns3) | STRUCTURE OF HCV PROTEASE (BK STRAIN) | Descriptor: | NS3 PROTEASE, NS4A PEPTIDE, ZINC ION | Authors: | Yan, Y, Munshi, S, Chen, Z. | Deposit date: | 1997-04-05 | Release date: | 1998-04-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Complex of NS3 protease and NS4A peptide of BK strain hepatitis C virus: a 2.2 A resolution structure in a hexagonal crystal form. Protein Sci., 7, 1998
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1E9H
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![BU of 1e9h by Molmil](/molmil-images/mine/1e9h) | Thr 160 phosphorylated CDK2 - Human cyclin A3 complex with the inhibitor indirubin-5-sulphonate bound | Descriptor: | 2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID, CELL DIVISION PROTEIN KINASE 2, CYCLIN A3 | Authors: | Davies, T.G, Tunnah, P, Noble, M.E.M, Endicott, J.A. | Deposit date: | 2000-10-16 | Release date: | 2001-10-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Inhibitor Binding to Active and Inactive Cdk2: The Crystal Structure of Cdk2-Cyclin A/Indirubin-5-Sulphonate Structure, 9, 2001
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4B7T
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![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
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3HVO
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![BU of 3hvo by Molmil](/molmil-images/mine/3hvo) | Structure of the genotype 2B HCV polymerase bound to a NNI | Descriptor: | 2-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1h-benzo[de]isoquinoline-1,3(2h)-dione, Genome polyprotein | Authors: | Rydberg, E.H, Carfi, A. | Deposit date: | 2009-06-16 | Release date: | 2009-08-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification and Biological Evaluation of a Series of 1H-Benzo[de]isoquinoline-1,3(2H)-diones as Hepatitis C Virus NS5B Polymerase Inhibitors To be Published
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3PZE
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![BU of 3pze by Molmil](/molmil-images/mine/3pze) | JNK1 in complex with inhibitor | Descriptor: | 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide, Mitogen-activated protein kinase 8, SULFATE ION | Authors: | Xue, Y. | Deposit date: | 2010-12-14 | Release date: | 2011-12-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide (AZD7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas. J.Med.Chem., 55, 2012
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2WCX
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1HCL
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![BU of 1hcl by Molmil](/molmil-images/mine/1hcl) | HUMAN CYCLIN-DEPENDENT KINASE 2 | Descriptor: | HUMAN CYCLIN-DEPENDENT KINASE 2 | Authors: | Schulze-Gahmen, U, De Bondt, H.L, Kim, S.-H. | Deposit date: | 1996-06-03 | Release date: | 1996-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-resolution crystal structures of human cyclin-dependent kinase 2 with and without ATP: bound waters and natural ligand as guides for inhibitor design. J.Med.Chem., 39, 1996
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1HCK
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![BU of 1hck by Molmil](/molmil-images/mine/1hck) | HUMAN CYCLIN-DEPENDENT KINASE 2 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, HUMAN CYCLIN-DEPENDENT KINASE 2, MAGNESIUM ION | Authors: | Schulze-Gahmen, U, De Bondt, H.L, Kim, S.-H. | Deposit date: | 1996-06-03 | Release date: | 1996-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-resolution crystal structures of human cyclin-dependent kinase 2 with and without ATP: bound waters and natural ligand as guides for inhibitor design. J.Med.Chem., 39, 1996
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1B38
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![BU of 1b38 by Molmil](/molmil-images/mine/1b38) | HUMAN CYCLIN-DEPENDENT KINASE 2 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PROTEIN (CELL DIVISION PROTEIN KINASE 2) | Authors: | Brown, N.R, Noble, M.E.M, Lawrie, A.M, Morris, M.C, Tunnah, P, Divita, G, Johnson, L.N, Endicott, J.A. | Deposit date: | 1998-12-17 | Release date: | 1998-12-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Effects of phosphorylation of threonine 160 on cyclin-dependent kinase 2 structure and activity. J.Biol.Chem., 274, 1999
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1B39
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![BU of 1b39 by Molmil](/molmil-images/mine/1b39) | HUMAN CYCLIN-DEPENDENT KINASE 2 PHOSPHORYLATED ON THR 160 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PROTEIN (CELL DIVISION PROTEIN KINASE 2) | Authors: | Brown, N.R, Noble, M.E.M, Lawrie, A.M, Morris, M.C, Tunnah, P, Divita, G, Johnson, L.N, Endicott, J.A. | Deposit date: | 1998-12-17 | Release date: | 1998-12-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Effects of phosphorylation of threonine 160 on cyclin-dependent kinase 2 structure and activity. J.Biol.Chem., 274, 1999
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1BT7
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![BU of 1bt7 by Molmil](/molmil-images/mine/1bt7) | THE SOLUTION NMR STRUCTURE OF THE N-TERMINAL PROTEASE DOMAIN OF THE HEPATITIS C VIRUS (HCV) NS3-PROTEIN, FROM BK STRAIN, 20 STRUCTURES | Descriptor: | NS3 SERINE PROTEASE, ZINC ION | Authors: | Barbato, G, Cicero, D.O, Nardi, M.C, Steinkuhler, C, Cortese, R, De Francesco, R, Bazzo, R. | Deposit date: | 1998-09-01 | Release date: | 1999-06-22 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The solution structure of the N-terminal proteinase domain of the hepatitis C virus (HCV) NS3 protein provides new insights into its activation and catalytic mechanism. J.Mol.Biol., 289, 1999
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2LFB
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![BU of 2lfb by Molmil](/molmil-images/mine/2lfb) | HOMEODOMAIN FROM RAT LIVER LFB1/HNF1 TRANSCRIPTION FACTOR, NMR, 20 STRUCTURES | Descriptor: | LFB1/HNF1 TRANSCRIPTION FACTOR | Authors: | Schott, O, Billeter, M, Leiting, B, Wider, G, Wuthrich, K. | Deposit date: | 1996-12-12 | Release date: | 1997-03-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The NMR solution structure of the non-classical homeodomain from the rat liver LFB1/HNF1 transcription factor. J.Mol.Biol., 267, 1997
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6HDP
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![BU of 6hdp by Molmil](/molmil-images/mine/6hdp) | Human DYRK2 bound to Scorzodihydrostilbene A | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, SODIUM ION, Scorzodihydrostilbene A | Authors: | Elkins, J.M, Soundararajan, M, Proksch, P, Meijer, L, Vollmar, M, Krojer, T, Bountra, C, Edwards, A.M, Arrowsmith, C, Knapp, S. | Deposit date: | 2018-08-18 | Release date: | 2019-08-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | DYRK2 bound to Scorzodihydrostilbene A To Be Published
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3RAW
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![BU of 3raw by Molmil](/molmil-images/mine/3raw) | Crystal Structure of human CDC-like kinase 3 isoform in complex with leucettine L41 | Descriptor: | 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, Dual specificity protein kinase CLK3 | Authors: | Filippakopoulos, P, Fedorov, O, King, O, Debdab, M, Carreaux, F, Renault, S, Bullock, A, Muniz, J.R.C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Meijer, L, Bazureau, J.P, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2011-03-28 | Release date: | 2011-05-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal Structure of human CDC-like kinase 3 isoform with a benzo-dioxol ligand To be Published
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