4BCG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bcg by Molmil](/molmil-images/mine/4bcg) | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | Descriptor: | 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1, ... | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-02 | Release date: | 2013-04-17 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (3.085 Å) | Cite: | Substituted 4-(Thiazol-5-Yl)-2-(Phenylamino)Pyrimidines are Highly Active Cdk9 Inhibitors: Synthesis, X-Ray Crystal Structure, Sar and Anti-Cancer Activities. J.Med.Chem., 56, 2013
|
|
4BCI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bci by Molmil](/molmil-images/mine/4bci) | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | Descriptor: | 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1 | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-02 | Release date: | 2013-01-09 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
|
|
4BCF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bcf by Molmil](/molmil-images/mine/4bcf) | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | Descriptor: | 2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1 | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-02 | Release date: | 2013-01-09 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (3.011 Å) | Cite: | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
|
|
4BCH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bch by Molmil](/molmil-images/mine/4bch) | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | Descriptor: | 4-(4-methyl-2-methylimino-3H-1,3-thiazol-5-yl)-2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1, ... | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-02 | Release date: | 2013-01-09 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (2.958 Å) | Cite: | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
|
|
4BCJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bcj by Molmil](/molmil-images/mine/4bcj) | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | Descriptor: | 2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1 | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-02 | Release date: | 2013-01-09 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (3.162 Å) | Cite: | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
|
|
4EC8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ec8 by Molmil](/molmil-images/mine/4ec8) | |
4EC9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ec9 by Molmil](/molmil-images/mine/4ec9) | |
1MJA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mja by Molmil](/molmil-images/mine/1mja) | Crystal structure of yeast Esa1 histone acetyltransferase domain complexed with acetyl coenzyme A | Descriptor: | COENZYME A, Esa1 protein | Authors: | Yan, Y, Harper, S, Speicher, D, Marmorstein, R. | Deposit date: | 2002-08-27 | Release date: | 2002-10-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | The catalytic mechanism of the ESA1 histone acetyltransferase involves a self-acetylated intermediate. Nat.Struct.Biol., 9, 2002
|
|
1MJ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mj9 by Molmil](/molmil-images/mine/1mj9) | Crystal structure of yeast Esa1(C304S) mutant complexed with Coenzyme A | Descriptor: | COENZYME A, ESA1 PROTEIN, SODIUM ION | Authors: | Yan, Y, Harper, S, Speicher, D, Marmorstein, R. | Deposit date: | 2002-08-27 | Release date: | 2002-10-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The catalytic mechanism of the ESA1 histone acetyltransferase involves a self-acetylated intermediate. Nat.Struct.Biol., 9, 2002
|
|
3LQ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
3MY1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3my1 by Molmil](/molmil-images/mine/3my1) | Structure of CDK9/cyclinT1 in complex with DRB | Descriptor: | 5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole, Cell division protein kinase 9, Cyclin-T1, ... | Authors: | Baumli, S, Johnson, L.N. | Deposit date: | 2010-05-09 | Release date: | 2010-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Halogen bonds form the basis for selective P-TEFb inhibition by DRB Chem.Biol., 17, 2010
|
|
4NXY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nxy by Molmil](/molmil-images/mine/4nxy) | Crystal Structure of the GNAT domain of S. lividans PAT | Descriptor: | Acyl-CoA synthetase, GLYCEROL, TRIFLUOROETHANOL | Authors: | Rank, K.C, Tucker, A.C, Escalante-Semerena, J.C, Rayment, I. | Deposit date: | 2013-12-09 | Release date: | 2014-11-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.449 Å) | Cite: | Insights into the specificity of lysine acetyltransferases. J.Biol.Chem., 289, 2014
|
|
4ZUX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zux by Molmil](/molmil-images/mine/4zux) | |
6MFD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mfd by Molmil](/molmil-images/mine/6mfd) | GphF GNAT-like decarboxylase in complex with isobutyryl-CoA | Descriptor: | ACETATE ION, GLYCEROL, GphF, ... | Authors: | Skiba, M.A, Tran, C.L, Smith, J.L. | Deposit date: | 2018-09-10 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.794 Å) | Cite: | Repurposing the GNAT Fold in the Initiation of Polyketide Biosynthesis. Structure, 28, 2020
|
|
6MFC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mfc by Molmil](/molmil-images/mine/6mfc) | GphF GNAT-like decarboxylase | Descriptor: | GLYCEROL, GphF, PENTAETHYLENE GLYCOL | Authors: | Skiba, M.A, Tran, C.L, Smith, J.L. | Deposit date: | 2018-09-10 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.589 Å) | Cite: | Repurposing the GNAT Fold in the Initiation of Polyketide Biosynthesis. Structure, 28, 2020
|
|
1M4I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m4i by Molmil](/molmil-images/mine/1m4i) | Aminoglycoside 2'-N-acetyltransferase from Mycobacterium tuberculosis-Complex with Coenzyme A and Kanamycin A | Descriptor: | 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, Aminoglycoside 2'-N-acetyltransferase, COENZYME A, ... | Authors: | Vetting, M.W, Hegde, S.S, Javid-Majd, F, Blanchard, J.S, Roderick, S.L. | Deposit date: | 2002-07-02 | Release date: | 2002-08-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Aminoglycoside 2'-N-acetyltransferase from Mycobacterium tuberculosis in complex with coenzyme A and aminoglycoside substrates. Nat.Struct.Biol., 9, 2002
|
|
1M4G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m4g by Molmil](/molmil-images/mine/1m4g) | Aminoglycoside 2'-N-acetyltransferase from Mycobacterium tuberculosis-Complex with Coenzyme A and Ribostamycin | Descriptor: | 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, Aminoglycoside 2'-N-acetyltransferase, COENZYME A, ... | Authors: | Vetting, M.W, Hegde, S.S, Javid-Majd, F, Blanchard, J.S, Roderick, S.L. | Deposit date: | 2002-07-02 | Release date: | 2002-08-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Aminoglycoside 2'-N-acetyltransferase from Mycobacterium tuberculosis in complex with coenzyme A and aminoglycoside substrates. Nat.Struct.Biol., 9, 2002
|
|
7B3A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b3a by Molmil](/molmil-images/mine/7b3a) | Crystal structure of PamZ | Descriptor: | ACETATE ION, ACETYL COENZYME *A, CHLORIDE ION, ... | Authors: | Loll, B, Dang, T, Mainz, A, Suessmuth, R, Wahl, M.C. | Deposit date: | 2020-11-30 | Release date: | 2021-11-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Molecular basis of antibiotic self-resistance in a bee larvae pathogen. Nat Commun, 13, 2022
|
|
8Q6U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8q6u by Molmil](/molmil-images/mine/8q6u) | |
8GXJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gxj by Molmil](/molmil-images/mine/8gxj) | |
8GXK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gxk by Molmil](/molmil-images/mine/8gxk) | Pseudomonas jinjuensis N-acetyltransferase | Descriptor: | COENZYME A, Protein N-acetyltransferase, RimJ/RimL family | Authors: | Song, Y.J, Bao, R. | Deposit date: | 2022-09-20 | Release date: | 2022-10-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | The novel type II toxin-antitoxin PacTA modulates Pseudomonas aeruginosa iron homeostasis by obstructing the DNA-binding activity of Fur. Nucleic Acids Res., 50, 2022
|
|
7XRJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xrj by Molmil](/molmil-images/mine/7xrj) | crystal structure of N-acetyltransferase DgcN-25328 | Descriptor: | Putative NAD-dependent epimerase/dehydratase family protein, SULFATE ION | Authors: | Zhang, Y.Z, Yu, Y, Cao, H.Y, Chen, X.L, Wang, P. | Deposit date: | 2022-05-10 | Release date: | 2023-02-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Novel D-glutamate catabolic pathway in marine Proteobacteria and halophilic archaea. Isme J, 17, 2023
|
|
4FD6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fd6 by Molmil](/molmil-images/mine/4fd6) | |
4FD7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fd7 by Molmil](/molmil-images/mine/4fd7) | Crystal structure of insect putative arylalkylamine N-Acetyltransferase 7 from the yellow fever mosquito Aedes aegypt | Descriptor: | 1,2-ETHANEDIOL, IODIDE ION, SULFATE ION, ... | Authors: | Han, Q, Robinson, R, Li, J. | Deposit date: | 2012-05-26 | Release date: | 2012-06-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evolution of insect arylalkylamine N-acetyltransferases: structural evidence from the yellow fever mosquito, Aedes aegypti. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
4FD5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fd5 by Molmil](/molmil-images/mine/4fd5) | |