5A8X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a8x by Molmil](/molmil-images/mine/5a8x) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Neutrophil elastase, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | vonNussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. | Deposit date: | 2015-07-17 | Release date: | 2016-08-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: in vivo Efficacy of the Polar Pyrimidopyridazine BAY-8040 in a Pulmonary Arterial Hypertension Rat Model. ChemMedChem, 11, 2016
|
|
5A2C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a2c by Molmil](/molmil-images/mine/5a2c) | Crystal Structure of Anoxybacillus Alpha-amylase Provides Insights into a New Glycosyl Hydrolase Subclass | Descriptor: | ALPHA-AMYLASE, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Ng, C.L, Chai, K.P, Othman, N.F, Teh, A.H, Ho, K.L, Chan, K.G, Goh, K.M. | Deposit date: | 2015-05-17 | Release date: | 2016-03-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Anoxybacillus Alpha-Amylase Provides Insights Into Maltose Binding of a New Glycosyl Hydrolase Subclass. Sci.Rep., 6, 2016
|
|
5A0F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a0f by Molmil](/molmil-images/mine/5a0f) | Crystal structure of Yersinia Afp18-modified RhoA | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | Authors: | Jank, T, Schimpl, M, van Aalten, D.M. | Deposit date: | 2015-04-20 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Tyrosine glycosylation of Rho by Yersinia toxin impairs blastomere cell behaviour in zebrafish embryos. Nat Commun, 6, 2015
|
|
3IN8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3in8 by Molmil](/molmil-images/mine/3in8) | |
3IN7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3in7 by Molmil](/molmil-images/mine/3in7) | |
3IPZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ipz by Molmil](/molmil-images/mine/3ipz) | |
3IMD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3imd by Molmil](/molmil-images/mine/3imd) | |
3KHY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3khy by Molmil](/molmil-images/mine/3khy) | Crystal Structure of a propionate kinase from Francisella tularensis subsp. tularensis SCHU S4 | Descriptor: | Propionate kinase | Authors: | Brunzelle, J.S, Skarina, T, Sharma, S, Wang, Y, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-10-31 | Release date: | 2010-01-19 | Last modified: | 2014-10-01 | Method: | X-RAY DIFFRACTION (1.978 Å) | Cite: | Crystal Structure of a propionate kinase from Francisella tularensis subsp. tularensis SCHU S4 To be Published
|
|
3KPU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kpu by Molmil](/molmil-images/mine/3kpu) | Crystal Structure of hPNMT in Complex AdoHcy and 4-quinolinol | Descriptor: | Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, quinolin-4-ol | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
|
|
3K28
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3k28 by Molmil](/molmil-images/mine/3k28) | Crystal Structure of a glutamate-1-semialdehyde aminotransferase from Bacillus anthracis with bound Pyridoxal 5'Phosphate | Descriptor: | CALCIUM ION, CHLORIDE ION, Glutamate-1-semialdehyde 2,1-aminomutase 2, ... | Authors: | Sharma, S.S, Brunzelle, J.S, Wawrzak, Z, Skarina, T, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-09-29 | Release date: | 2010-01-19 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of a glutamate-1-semialdehyde aminotransferase from Bacillus anthracis with bound Pyridoxal 5'Phosphate To be Published
|
|
3KQM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kqm by Molmil](/molmil-images/mine/3kqm) | Crystal Structure of hPNMT in Complex AdoHcy and 4-Bromo-1H-imidazole | Descriptor: | 4-bromo-1H-imidazole, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
|
|
3L8X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l8x by Molmil](/molmil-images/mine/3l8x) | P38 alpha kinase complexed with a pyrazolo-pyrimidine based inhibitor | Descriptor: | Mitogen-activated protein kinase 14, N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | Authors: | Sack, J.S. | Deposit date: | 2010-01-04 | Release date: | 2010-03-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Pyrazolo-Pyrimidines: A Novel Heterocyclic Scaffold for Potent and Selective P38 Alpha Inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
|
|
3HVC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hvc by Molmil](/molmil-images/mine/3hvc) | Crystal structure of human p38alpha MAP kinase | Descriptor: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, Mitogen-activated protein kinase 14 | Authors: | Perry, J.J, Tainer, J.A. | Deposit date: | 2009-06-15 | Release date: | 2009-06-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | p38alpha MAP kinase C-terminal domain binding pocket characterized by crystallographic and computational analyses. J.Mol.Biol., 391, 2009
|
|
3I2E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3i2e by Molmil](/molmil-images/mine/3i2e) | Crystal structure of human dimethylarginine dymethylaminohydrolase-1 (DDAH-1) | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | Authors: | Monzingo, A.F, Wang, Y, Hu, S, Schaller, T.H, Robertus, J.D, Fast, W. | Deposit date: | 2009-06-29 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Developing dual and specific inhibitors of dimethylarginine dimethylaminohydrolase-1 and nitric oxide synthase: toward a targeted polypharmacology to control nitric oxide. Biochemistry, 48, 2009
|
|
3KPY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kpy by Molmil](/molmil-images/mine/3kpy) | Crystal Structure of hPNMT in Complex AdoHcy and 6-Chlorooxindole | Descriptor: | 6-chloro-1,3-dihydro-2H-indol-2-one, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
|
|
3IMJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3imj by Molmil](/molmil-images/mine/3imj) | |
3KFJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kfj by Molmil](/molmil-images/mine/3kfj) | |
3KPW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kpw by Molmil](/molmil-images/mine/3kpw) | Crystal Structure of hPNMT in Complex AdoHcy and 1-Aminoisoquinoline | Descriptor: | ISOQUINOLIN-1-AMINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
|
|
3KQP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kqp by Molmil](/molmil-images/mine/3kqp) | Crystal Structure of hPNMT in Complex AdoHcy and 6-Aminoquinoline | Descriptor: | Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, quinolin-6-amine | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
|
|
3KPV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kpv by Molmil](/molmil-images/mine/3kpv) | Crystal Structure of hPNMT in Complex AdoHcy and Adenine | Descriptor: | ADENINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
|
|
3KQQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kqq by Molmil](/molmil-images/mine/3kqq) | Crystal Structure of hPNMT in Complex AdoHcy and 2-Hydroxynicotinic acid | Descriptor: | 2-oxo-1,2-dihydropyridine-3-carboxylic acid, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
|
|
3L4E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l4e by Molmil](/molmil-images/mine/3l4e) | |
3KQO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kqo by Molmil](/molmil-images/mine/3kqo) | Crystal Structure of hPNMT in Complex AdoHcy and 6-Chloropurine | Descriptor: | 6-chloro-9H-purine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
|
|
3LG3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lg3 by Molmil](/molmil-images/mine/3lg3) | 1.4A Crystal Structure of Isocitrate Lyase from Yersinia pestis CO92 | Descriptor: | Isocitrate lyase | Authors: | Sharma, S.S, Brunzelle, J.S, Skarina, T, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-01-19 | Release date: | 2010-04-14 | Last modified: | 2011-12-14 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 1.4A Crystal Structure of Isocitrate Lyase from Yersinia pestis CO92 To be Published
|
|
3LU2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lu2 by Molmil](/molmil-images/mine/3lu2) | Structure of lmo2462, a Listeria monocytogenes amidohydrolase family putative dipeptidase | Descriptor: | Lmo2462 protein, ZINC ION | Authors: | Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Hasseman, J, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-02-16 | Release date: | 2010-03-09 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of lmo2462, a Listeria monocytogenes amidohydrolase family putative dipeptidase To be Published
|
|