4F7L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4f7l by Molmil](/molmil-images/mine/4f7l) | Crystal structure of human CDK8/CYCC in complex with compound 2 (tert-butyl [3-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)propyl]carbamate) | Descriptor: | Cyclin-C, Cyclin-dependent kinase 8, tert-butyl [3-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)propyl]carbamate | Authors: | Schneider, E.V, Boettcher, J, Huber, R, Maskos, K. | Deposit date: | 2012-05-16 | Release date: | 2013-05-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-kinetic relationship study of CDK8/CycC specific compounds. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4F7N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4f7n by Molmil](/molmil-images/mine/4f7n) | Crystal structure of human CDK8/CYCC in complex with compound 11 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(5-hydroxypentyl)urea) | Descriptor: | 1,2-ETHANEDIOL, 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(5-hydroxypentyl)urea, Cyclin-C, ... | Authors: | Schneider, E.V, Boettcher, J, Huber, R, Maskos, K. | Deposit date: | 2012-05-16 | Release date: | 2013-05-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure-kinetic relationship study of CDK8/CycC specific compounds. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4F70
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4f70 by Molmil](/molmil-images/mine/4f70) | Crystal structure of human CDK8/CYCC in complex with compound 4 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]urea) | Descriptor: | 1,2-ETHANEDIOL, 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]urea, Cyclin-C, ... | Authors: | Schneider, E.V, Boettcher, J, Huber, R, Maskos, K. | Deposit date: | 2012-05-15 | Release date: | 2013-05-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure-kinetic relationship study of CDK8/CycC specific compounds. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4X1M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4x1m by Molmil](/molmil-images/mine/4x1m) | |
1ZPQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1zpq by Molmil](/molmil-images/mine/1zpq) | STRUCTURE OF BACTERIOPHAGE LAMBDA CII protein | Descriptor: | Regulatory protein CII | Authors: | Jain, D, Kim, Y, Maxwell, K.L, Beasley, S, Gussin, G.N, Edwards, A.M, Joachimiak, A, Darst, S.A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-05-17 | Release date: | 2005-08-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of Bacteriophage lambdacII and Its DNA Complex. Mol.Cell, 19, 2005
|
|
3IPH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3iph by Molmil](/molmil-images/mine/3iph) | Crystal structure of p38 in complex with a biphenylamide inhibitor | Descriptor: | 6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide, GLYCEROL, Mitogen-activated protein kinase 14, ... | Authors: | Somers, D.O. | Deposit date: | 2009-08-17 | Release date: | 2009-11-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | p38alpha mitogen-activated protein kinase inhibitors: optimization of a series of biphenylamides to give a molecule suitable for clinical progression. J.Med.Chem., 52, 2009
|
|
6ZRC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zrc by Molmil](/molmil-images/mine/6zrc) | |
3HV4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hv4 by Molmil](/molmil-images/mine/3hv4) | Human p38 MAP Kinase in Complex with RL51 | Descriptor: | 1-{3-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ... | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2009-06-15 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Displacement assay for the detection of stabilizers of inactive kinase conformations. J.Med.Chem., 53, 2010
|
|
3HL7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hl7 by Molmil](/molmil-images/mine/3hl7) | Crystal Structure of Human p38alpha complexed with SD-0006 | Descriptor: | 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, 2-{4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]piperidin-1-yl}-2-oxoethanol, Mitogen-activated protein kinase 14 | Authors: | Shieh, H.-S, Kurumbail, R.G, Stegeman, R.A, Williams, J.M. | Deposit date: | 2009-05-26 | Release date: | 2009-07-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural bioinformatics-based prediction of exceptional selectivity of p38 MAP kinase inhibitor PH-797804. Biochemistry, 48, 2009
|
|
7BJ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bj1 by Molmil](/molmil-images/mine/7bj1) | Crystal structure of SMYD3 with diperodon S enantiomer bound to allosteric site | Descriptor: | ACETATE ION, Diperodon (S-enantiomer), GLYCEROL, ... | Authors: | Talibov, V.O, Cederfelt, D, Dobritzsch, D, Danielson, U.H. | Deposit date: | 2021-01-13 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase Chembiochem, 22, 2021
|
|
3HLL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hll by Molmil](/molmil-images/mine/3hll) | Crystal Structure of Human p38alpha complexed with PH-797804 | Descriptor: | 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl}-N,4-dimethylbenzamide, HYPOPHOSPHITE, ... | Authors: | Shieh, H.-S, Williams, J.M, Stegeman, R.A, Kurumbail, R.G. | Deposit date: | 2009-05-27 | Release date: | 2009-07-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural bioinformatics-based prediction of exceptional selectivity of p38 MAP kinase inhibitor PH-797804. Biochemistry, 48, 2009
|
|
7OBK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7obk by Molmil](/molmil-images/mine/7obk) | |
7OBL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7obl by Molmil](/molmil-images/mine/7obl) | |
1L3R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1l3r by Molmil](/molmil-images/mine/1l3r) | Crystal Structure of a Transition State Mimic of the Catalytic Subunit of cAMP-dependent Protein Kinase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, ... | Authors: | Madhusudan, Akamine, P, Xuong, N.-H, Taylor, S.S. | Deposit date: | 2002-02-28 | Release date: | 2002-03-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a transition state mimic of the catalytic subunit of cAMP-dependent protein kinase. Nat.Struct.Biol., 9, 2002
|
|
3HP2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hp2 by Molmil](/molmil-images/mine/3hp2) | Crystal Structure of Human p38alpha complexed with a pyridinone compound | Descriptor: | 1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1H)-one, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | Authors: | Shieh, H.-S, Williams, J.M, Stegeman, R.A, Kurumbail, R.G. | Deposit date: | 2009-06-03 | Release date: | 2009-09-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of N-substituted pyridinones as potent and selective inhibitors of p38 kinase. Bioorg.Med.Chem.Lett., 19, 2009
|
|
3IAG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3iag by Molmil](/molmil-images/mine/3iag) | CSL (RBP-Jk) bound to HES-1 nonconsensus site | Descriptor: | 1,2-ETHANEDIOL, 5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*AP*CP*AP*CP*GP*AP*T)-3', 5'-D(*TP*TP*AP*TP*CP*GP*TP*GP*TP*GP*AP*AP*AP*GP*A)-3', ... | Authors: | Friedmann, D.R, Kovall, R.A. | Deposit date: | 2009-07-13 | Release date: | 2009-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Thermodynamic and structural insights into CSL-DNA complexes. Protein Sci., 19, 2010
|
|
4F6S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4f6s by Molmil](/molmil-images/mine/4f6s) | Crystal structure of human CDK8/CYCC in complex with compound 7 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea) | Descriptor: | 1,2-ETHANEDIOL, 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, Cyclin-C, ... | Authors: | Schneider, E.V, Boettcher, J, Huber, R, Maskos, K. | Deposit date: | 2012-05-15 | Release date: | 2013-05-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-kinetic relationship study of CDK8/CycC specific compounds. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
7PZ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pz1 by Molmil](/molmil-images/mine/7pz1) | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH8535 | Descriptor: | 1,2-ETHANEDIOL, 4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(3-methoxy-4-methyl-phenyl)piperidine-1-carboxamide, GLYCEROL, ... | Authors: | Scaletti, E.R, Helleday, T, Stenmark, P. | Deposit date: | 2021-10-11 | Release date: | 2022-11-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Optimization of N-Piperidinyl-Benzimidazolone Derivatives as Potent and Selective Inhibitors of 8-Oxo-Guanine DNA Glycosylase 1. Chemmedchem, 18, 2023
|
|
7QEL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qel by Molmil](/molmil-images/mine/7qel) | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011247 | Descriptor: | (2~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide, N-glycosylase/DNA lyase, NICKEL (II) ION | Authors: | Davies, J.R, Scaletti, E.R, Stenmark, P. | Deposit date: | 2021-12-03 | Release date: | 2022-12-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011247 To Be Published
|
|
4G6L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4g6l by Molmil](/molmil-images/mine/4g6l) | Crystal structure of human CDK8/CYCC in the DMG-in conformation | Descriptor: | Cyclin-C, Cyclin-dependent kinase 8, FORMIC ACID | Authors: | Schneider, E.V, Blaesse, M, Huber, R, Maskos, K. | Deposit date: | 2012-07-19 | Release date: | 2013-05-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-kinetic relationship study of CDK8/CycC specific compounds. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4X25
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4x25 by Molmil](/molmil-images/mine/4x25) | |
4I6M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i6m by Molmil](/molmil-images/mine/4i6m) | Structure of Arp7-Arp9-Snf2(HSA)-RTT102 subcomplex of SWI/SNF chromatin remodeler. | Descriptor: | Actin-like protein ARP9, Actin-related protein 7, PHOSPHATE ION, ... | Authors: | Schubert, H.L, Cairns, B.R, Hill, C.P. | Deposit date: | 2012-11-29 | Release date: | 2013-02-13 | Last modified: | 2017-08-16 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Structure of an actin-related subcomplex of the SWI/SNF chromatin remodeler. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4X1L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4x1l by Molmil](/molmil-images/mine/4x1l) | |
1LM8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lm8 by Molmil](/molmil-images/mine/1lm8) | Structure of a HIF-1a-pVHL-ElonginB-ElonginC Complex | Descriptor: | ELONGIN B, ELONGIN C, Hypoxia-inducible factor 1 alpha, ... | Authors: | Min, J.-H, Yang, H, Ivan, M, Gertler, F, Kaelin JR, W.G, Pavletich, N.P. | Deposit date: | 2002-04-30 | Release date: | 2002-06-12 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of an HIF-1alpha -pVHL complex: hydroxyproline recognition in signaling. Science, 296, 2002
|
|
3HP5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hp5 by Molmil](/molmil-images/mine/3hp5) | Crystal Structure of Human p38alpha complexed with a pyrimidopyridazinone compound | Descriptor: | 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one, Mitogen-activated protein kinase 14 | Authors: | Shieh, H.-S, Williams, J.M, Stegeman, R.A, Kurumbail, R.G. | Deposit date: | 2009-06-03 | Release date: | 2009-09-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of N-substituted pyridinones as potent and selective inhibitors of p38 kinase. Bioorg.Med.Chem.Lett., 19, 2009
|
|