4B3U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4b3u by Molmil](/molmil-images/mine/4b3u) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4(1H,3H)-dione, CHLORIDE ION, ... | Authors: | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H. | Deposit date: | 2012-07-26 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa. ACS Chem. Biol., 8, 2013
|
|
2IKD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ikd by Molmil](/molmil-images/mine/2ikd) | Solution Structure of the first Clip domain in PAP2 | Descriptor: | Prophenoloxidase activating proteinase-2 | Authors: | Huang, R.D, Lv, Z.Q, Dai, H.E, Velde, D.V, Prakash, O, Jiang, H.B. | Deposit date: | 2006-10-02 | Release date: | 2007-10-16 | Last modified: | 2020-09-09 | Method: | SOLUTION NMR | Cite: | Solution Structure of Clip domain in PAP2 To be Published
|
|
4DUQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4duq by Molmil](/molmil-images/mine/4duq) | |
4DBG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dbg by Molmil](/molmil-images/mine/4dbg) | Crystal structure of HOIL-1L-UBL complexed with a HOIP-UBA derivative | Descriptor: | RING finger protein 31, RanBP-type and C3HC4-type zinc finger-containing protein 1 | Authors: | Yagi, H, Hiromoto, T, Mizushima, T, Kurimoto, E, Kato, K. | Deposit date: | 2012-01-15 | Release date: | 2012-04-04 | Last modified: | 2012-05-16 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | A non-canonical UBA-UBL interaction forms the linear-ubiquitin-chain assembly complex Embo Rep., 13, 2012
|
|
4DLG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dlg by Molmil](/molmil-images/mine/4dlg) | Ternary Structure of the large Fragment of Taq DNA polymerase | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, ACETATE ION, DNA polymerase I, ... | Authors: | Marx, A, Diederichs, K, Obeid, S, Holzberger, B. | Deposit date: | 2012-02-06 | Release date: | 2012-11-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structural insights into the potential of 4-fluoroproline to modulate biophysical properties of protein Chem Sci, 3, 2012
|
|
4DDT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ddt by Molmil](/molmil-images/mine/4ddt) | Thermotoga maritima reverse gyrase, C2 FORM 2 | Descriptor: | Reverse gyrase, ZINC ION | Authors: | Rudolph, M.G, Klostermeier, D. | Deposit date: | 2012-01-19 | Release date: | 2012-12-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structures of Thermotoga maritima reverse gyrase: inferences for the mechanism of positive DNA supercoiling. Nucleic Acids Res., 41, 2013
|
|
4DPF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dpf by Molmil](/molmil-images/mine/4dpf) | BACE-1 in complex with a HEA-macrocyclic type inhibitor | Descriptor: | Beta-secretase 1, N-[(4S,8E,11S)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-N-methylmethanesulfonamide | Authors: | Lindberg, J, Borkakoti, N, Derbyshire, D. | Deposit date: | 2012-02-13 | Release date: | 2012-07-11 | Last modified: | 2013-01-02 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes. Bioorg.Med.Chem., 20, 2012
|
|
4DGK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dgk by Molmil](/molmil-images/mine/4dgk) | Crystal structure of Phytoene desaturase CRTI from Pantoea ananatis | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Phytoene dehydrogenase | Authors: | Schaub, P, Yu, Q, Gemmecker, S, Poussin-Courmontagne, P, Mailliot, J, McEwen, A.G, Ghisla, S, Beyer, P, Cavarelli, J. | Deposit date: | 2012-01-26 | Release date: | 2012-10-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | On the structure and function of the phytoene desaturase CRTI from Pantoea ananatis, a membrane-peripheral and FAD-dependent oxidase/isomerase. Plos One, 7, 2012
|
|
2J9R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2j9r by Molmil](/molmil-images/mine/2j9r) | Thymidine kinase from B. anthracis in complex with dT. | Descriptor: | PHOSPHATE ION, THYMIDINE, THYMIDINE KINASE, ... | Authors: | Kosinska, U, Carnrot, C, Sandrini, M.P.B, Clausen, A.R, Wang, L, Piskur, J, Eriksson, S, Eklund, H. | Deposit date: | 2006-11-15 | Release date: | 2007-01-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Studies of Thymidine Kinases from Bacillus Anthracis and Bacillus Cereus Provide Insights Into Quaternary Structure and Conformational Changes Upon Substrate Binding FEBS J., 274, 2007
|
|
4DHO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dho by Molmil](/molmil-images/mine/4dho) | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | (2-{2-[(3-methoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 protein sigma, CHLORIDE ION, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2012-01-30 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
|
|
4DHU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dhu by Molmil](/molmil-images/mine/4dhu) | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | (2-{2-[(2,3-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 PROTEIN SIGMA, CHLORIDE ION, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2012-01-30 | Release date: | 2013-07-31 | Last modified: | 2013-09-04 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
|
|
4DI9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4di9 by Molmil](/molmil-images/mine/4di9) | CRYSTAL STRUCTURE OF THE D248A mutant of 2-PYRONE-4,6-DICARBOXYLIC ACID HYDROLASE FROM SPHINGOMONAS PAUCIMOBILIS complexed with substrate at pH 6.5 | Descriptor: | (1E,3Z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid, 2-pyrone-4,6-dicarbaxylate hydrolase, ACETATE ION | Authors: | Malashkevich, V.N, Toro, R, Hobbs, M.E, Raushel, F.M, Almo, S.C. | Deposit date: | 2012-01-11 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure and Catalytic Mechanism of LigI: Insight into the Amidohydrolase Enzymes of cog3618 and Lignin Degradation. Biochemistry, 51, 2012
|
|
4DOQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4doq by Molmil](/molmil-images/mine/4doq) | Crystal structure of the complex of Porcine Pancreatic Trypsin with 1/2SLPI | Descriptor: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Antileukoproteinase, CALCIUM ION, ... | Authors: | Fukushima, K, Takimoto-Kamimura, M. | Deposit date: | 2012-02-10 | Release date: | 2013-08-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure basis 1/2SLPI and porcine pancreas trypsin interaction J.SYNCHROTRON RADIAT., 20, 2013
|
|
2JEV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jev by Molmil](/molmil-images/mine/2jev) | Crystal structure of human spermine,spermidine acetyltransferase in complex with a bisubstrate analog (N1-acetylspermine-S-CoA). | Descriptor: | (3R)-27-AMINO-3-HYDROXY-2,2-DIMETHYL-4,8,14-TRIOXO-12-THIA-5,9,15,19,24-PENTAAZAHEPTACOS-1-YL [(2S,3R,4S,5S)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE, DIAMINE ACETYLTRANSFERASE 1 | Authors: | Hegde, S.S, Chandler, J, Vetting, M.W, Yu, M, Blanchard, J.S. | Deposit date: | 2007-01-23 | Release date: | 2007-06-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mechanistic and Structural Analysis of Human Spermidine/Spermine N(1)-Acetyltransferase. Biochemistry, 46, 2007
|
|
4DPN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dpn by Molmil](/molmil-images/mine/4dpn) | Crystal Structure of ConM Complexed with Resveratrol | Descriptor: | CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ... | Authors: | Freire, V.N, Gottfried, C, Rocha, B.A.M, Cavada, B.S, Delatorre, P, Santi-Gadelha, T, Gadelha, C.A.A, Batista, G.N, N brega, R.B, Silva-Filho, J.C. | Deposit date: | 2012-02-13 | Release date: | 2013-03-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal Structure of ConM Complexed with Resveratrol To be Published
|
|
4DVN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dvn by Molmil](/molmil-images/mine/4dvn) | Crystal structure of the glycoprotein Erns from the pestivirus BVDV-1 in complex with 2'-UMP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, E(rns) glycoprotein, ... | Authors: | Krey, T, Bontems, F, Vonrhein, C, Vaney, M.-C, Bricogne, G, Ruemenapf, T, Rey, F.A. | Deposit date: | 2012-02-23 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Crystal Structure of the Pestivirus Envelope Glycoprotein E(rns) and Mechanistic Analysis of Its Ribonuclease Activity. Structure, 20, 2012
|
|
4DVL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dvl by Molmil](/molmil-images/mine/4dvl) | Crystal structure of the glycoprotein Erns from the pestivirus BVDV-1 in complex with 2'-3'-cyclo-UMP | Descriptor: | 1-[(2S,3aS,4S,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4( 1H,3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Krey, T, Bontems, F, Vonrhein, C, Vaney, M.-C, Bricogne, G, Ruemenapf, T, Rey, F.A. | Deposit date: | 2012-02-23 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal Structure of the Pestivirus Envelope Glycoprotein E(rns) and Mechanistic Analysis of Its Ribonuclease Activity. Structure, 20, 2012
|
|
4DW5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dw5 by Molmil](/molmil-images/mine/4dw5) | Crystal structure of the glycoprotein Erns from the pestivirus BVDV-1 in complex with a non-cleavable CpU dinucleotide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, E(rns) glycoprotein, ... | Authors: | Krey, T, Bontems, F, Vonrhein, C, Vaney, M.-C, Bricogne, G, Ruemenapf, T, Rey, F.A. | Deposit date: | 2012-02-24 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystal Structure of the Pestivirus Envelope Glycoprotein E(rns) and Mechanistic Analysis of Its Ribonuclease Activity. Structure, 20, 2012
|
|
4DW7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dw7 by Molmil](/molmil-images/mine/4dw7) | Crystal structure of an active-site mutant of the glycoprotein Erns from the pestivirus BVDV-1 in complex with a CpU dinucleotide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-R(*CP*U)-3', ... | Authors: | Krey, T, Bontems, F, Vonrhein, C, Vaney, M.-C, Bricogne, G, Ruemenapf, T, Rey, F.A. | Deposit date: | 2012-02-24 | Release date: | 2012-05-23 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Crystal Structure of the Pestivirus Envelope Glycoprotein E(rns) and Mechanistic Analysis of Its Ribonuclease Activity. Structure, 20, 2012
|
|
4DWD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dwd by Molmil](/molmil-images/mine/4dwd) | Crystal structure of mandelate racemase/muconate lactonizing protein from Paracoccus denitrificans PD1222 complexed with magnesium | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme, ... | Authors: | Malashkevich, V.N, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-02-24 | Release date: | 2012-03-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of mandelate racemase/muconate lactonizing protein from Paracoccus denitrificans PD1222 complexed with magnesium To be Published
|
|
4DWQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dwq by Molmil](/molmil-images/mine/4dwq) | RNA ligase RtcB-GMP/Mn(2+) complex | Descriptor: | GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, MALONATE ION, ... | Authors: | Okada, C, Xia, S, Englert, M, Yao, M, Soll, D, Wang, J. | Deposit date: | 2012-02-26 | Release date: | 2012-09-05 | Last modified: | 2017-08-02 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural and mechanistic insights into guanylylation of RNA-splicing ligase RtcB joining RNA between 3'-terminal phosphate and 5'-OH. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
2N58
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2n58 by Molmil](/molmil-images/mine/2n58) | |
2I52
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2i52 by Molmil](/molmil-images/mine/2i52) | Crystal structure of protein PTO0218 from Picrophilus torridus, Pfam DUF372 | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Ramagopal, U.A, Gilmore, J, Toro, R, Bain, K.T, McKenzie, C, Reyes, C, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2006-08-23 | Release date: | 2006-09-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structure of hypothetical protein PTO0218 from Picrophilus torridus To be Published
|
|
2I8E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2i8e by Molmil](/molmil-images/mine/2i8e) | Structure of SSO1404, a predicted DNA repair-associated protein from Sulfolobus solfataricus P2 | Descriptor: | Hypothetical protein, IODIDE ION | Authors: | Wang, S, Zimmerman, M.D, Kudritska, M, Chruszcz, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-09-01 | Release date: | 2006-09-26 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | A novel family of sequence-specific endoribonucleases associated with the clustered regularly interspaced short palindromic repeats. J.Biol.Chem., 283, 2008
|
|
4D2S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d2s by Molmil](/molmil-images/mine/4d2s) | Human TTK in complex with a Dyrk1B inhibitor | Descriptor: | DUAL SPECIFICITY PROTEIN KINASE TTK, N-{2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]phenyl}-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine | Authors: | Debreczeni, J.E, Kettle, J.G, Ballard, P, Bardelle, C, Butterworth, S, Colclough, N, Critchlow, S.E, Fairley, G, Fillery, S, Graham, M.A, Goodwin, L, Guichard, S, Hudson, K, Mahmood, A, Vincent, J, Ward, R.A, Whittaker, D. | Deposit date: | 2014-05-12 | Release date: | 2015-04-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery and Optimization of a Novel Series of Dyrk1B Kinase Inhibitors to Explore a Mek Resistance Hypothesis. J.Med.Chem., 58, 2015
|
|