3ZOS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zos by Molmil](/molmil-images/mine/3zos) | Structure of the DDR1 kinase domain in complex with ponatinib | Descriptor: | 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1 | Authors: | Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Bradley, A, Coutandin, D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2013-02-22 | Release date: | 2013-05-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural Mechanisms Determining Inhibition of the Collagen Receptor Ddr1 by Selective and Multi-Targeted Type II Kinase Inhibitors J.Mol.Biol., 426, 2014
|
|
1T9S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1t9s by Molmil](/molmil-images/mine/1t9s) | Catalytic Domain Of Human Phosphodiesterase 5A in Complex with GMP | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ZINC ION, ... | Authors: | Zhang, K.Y.J, Card, G.L, Suzuki, Y, Artis, D.R, Fong, D, Gillette, S, Hsieh, D, Neiman, J, West, B.L, Zhang, C, Milburn, M.V, Kim, S.-H, Schlessinger, J, Bollag, G. | Deposit date: | 2004-05-18 | Release date: | 2004-08-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Glutamine Switch Mechanism for Nucleotide Selectivity by Phosphodiesterases Mol.Cell, 15, 2004
|
|
5D81
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d81 by Molmil](/molmil-images/mine/5d81) | |
2VZX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vzx by Molmil](/molmil-images/mine/2vzx) | Structural and spectroscopic characterization of photoconverting fluorescent protein Dendra2 | Descriptor: | GLYCEROL, Green fluorescent protein, TETRAETHYLENE GLYCOL | Authors: | Adam, V, Nienhaus, K, Bourgeois, D, Nienhaus, G.U. | Deposit date: | 2008-08-06 | Release date: | 2009-06-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis of Enhanced Photoconversion Yield in Green Fluorescent Protein-Like Protein Dendra2. Biochemistry, 48, 2009
|
|
5D86
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d86 by Molmil](/molmil-images/mine/5d86) | Staphyloferrin B precursor biosynthetic enzyme SbnA Y152F variant | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Kobylarz, M.J, Grigg, J.C, Liu, Y, Lee, M.S.F, Heinrichs, D.E, Murphy, M.E.P. | Deposit date: | 2015-08-15 | Release date: | 2016-02-03 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Deciphering the Substrate Specificity of SbnA, the Enzyme Catalyzing the First Step in Staphyloferrin B Biosynthesis. Biochemistry, 55, 2016
|
|
1TBB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tbb by Molmil](/molmil-images/mine/1tbb) | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Rolipram | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, ROLIPRAM, ... | Authors: | Zhang, K.Y.J, Card, G.L, Suzuki, Y, Artis, D.R, Fong, D, Gillette, S, Hsieh, D, Neiman, J, West, B.L, Zhang, C, Milburn, M.V, Kim, S.-H, Schlessinger, J, Bollag, G. | Deposit date: | 2004-05-19 | Release date: | 2004-08-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Glutamine Switch Mechanism for Nucleotide Selectivity by Phosphodiesterases Mol.Cell, 15, 2004
|
|
6W9P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w9p by Molmil](/molmil-images/mine/6w9p) | Tel26 Parallel Four-quartet G-quadruplex with K+ | Descriptor: | DNA (5'-D(P*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*T)-3'), POTASSIUM ION, SODIUM ION | Authors: | McCarthy, S.E, Yatsunyk, L.A, Beseiso, D, Miao, J. | Deposit date: | 2020-03-23 | Release date: | 2021-03-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | The first crystal structures of hybrid and parallel four-tetrad intramolecular G-quadruplexes. Nucleic Acids Res., 50, 2022
|
|
4IPX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ipx by Molmil](/molmil-images/mine/4ipx) | Analyzing the visible conformational substates of the FK506 binding protein FKBP12 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Peptidyl-prolyl cis-trans isomerase FKBP1A | Authors: | Chen, H, Mustafi, S.M, Li, H.M, LeMaster, D.M, Hernandez, G. | Deposit date: | 2013-01-10 | Release date: | 2013-06-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Analysing the visible conformational substates of the FK506-binding protein FKBP12. Biochem.J., 453, 2013
|
|
4IGF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4igf by Molmil](/molmil-images/mine/4igf) | Crystal structure of Plasmodium falciparum FabI complexed with NAD and inhibitor 3-(4-Chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one | Descriptor: | 3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one, Enoyl-acyl carrier reductase, GLYCEROL, ... | Authors: | Kostrewa, D, Perozzo, R. | Deposit date: | 2012-12-17 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design, Synthesis, and Biological and Crystallographic Evaluation of Novel Inhibitors of Plasmodium falciparum Enoyl-ACP-reductase (PfFabI) J.Med.Chem., 56, 2013
|
|
5D83
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d83 by Molmil](/molmil-images/mine/5d83) | |
1TIE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tie by Molmil](/molmil-images/mine/1tie) | |
1TJE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tje by Molmil](/molmil-images/mine/1tje) | Crystal structure of the editing domain of threonyl-tRNA synthetase | Descriptor: | Threonyl-tRNA synthetase | Authors: | Dock-Bregeon, A.C, Rees, B, Torres-Larios, A, Bey, G, Caillet, J, Moras, D. | Deposit date: | 2004-06-04 | Release date: | 2004-11-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Achieving Error-Free Translation; The Mechanism of Proofreading of Threonyl-tRNA Synthetase at Atomic Resolution. Mol.Cell, 16, 2004
|
|
5KMQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kmq by Molmil](/molmil-images/mine/5kmq) | |
6VPV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vpv by Molmil](/molmil-images/mine/6vpv) | Trimeric Photosystem I from the High-Light Tolerant Cyanobacteria Cyanobacterium Aponinum | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Dobson, Z, Toporik, H, Vaughn, N, Lin, S, Williams, D, Fromme, P, Mazor, Y. | Deposit date: | 2020-02-04 | Release date: | 2021-08-04 | Last modified: | 2021-09-08 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | The structure of photosystem I from a high-light tolerant Cyanobacteria. Elife, 10, 2021
|
|
8A4W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a4w by Molmil](/molmil-images/mine/8a4w) | Crystal structure of human cathepsin L with covalently bound Cathepsin L inhibitor IV | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2022-06-13 | Release date: | 2023-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
|
|
1T4T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1t4t by Molmil](/molmil-images/mine/1t4t) | arginase-dinor-NOHA complex | Descriptor: | 3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AMINO}ALANINE, Arginase 1, MANGANESE (II) ION | Authors: | Cama, E, Pethe, S, Boucher, J.-L, Shoufa, H, Emig, F.A, Ash, D.E, Viola, R.E, Mansuy, D, Christianson, D.W. | Deposit date: | 2004-04-30 | Release date: | 2005-04-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inhibitor coordination interactions in the binuclear manganese cluster of arginase Biochemistry, 43, 2004
|
|
6Q9T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q9t by Molmil](/molmil-images/mine/6q9t) | Protein-aromatic foldamer complex crystal structure | Descriptor: | 2-(8-azanyl-2-methanoyl-quinolin-4-yl)ethanoic acid, 6-(aminomethyl)pyridine-2-carboxylic acid, 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, ... | Authors: | Post, S, Langlois d'Estaintot, B, Fischer, L, Granier, T, Huc, I. | Deposit date: | 2018-12-18 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structure Elucidation of Helical Aromatic Foldamer-Protein Complexes with Large Contact Surface Areas. Chemistry, 25, 2019
|
|
2IOH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ioh by Molmil](/molmil-images/mine/2ioh) | Crystal structure of phosphonoacetaldehyde hydrolase with a K53R mutation | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, Phosphonoacetaldehyde hydrolase | Authors: | Allen, K.A, Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Peisach, E. | Deposit date: | 2006-10-10 | Release date: | 2007-08-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Diversification of function in the haloacid dehalogenase enzyme superfamily: The role of the cap domain in hydrolytic phosphoruscarbon bond cleavage. Bioorg.Chem., 34, 2006
|
|
4RJV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rjv by Molmil](/molmil-images/mine/4rjv) | Crystal Structure of a De Novo Designed Ferredoxin Fold, Northeast Structural Genomics Consortium (NESG) Target OR461 | Descriptor: | OR461 | Authors: | O'Connell, P.T, Lin, Y.-R, Guan, R, Koga, N, Koga, R, Seetharaman, J, Janjua, H, Xiao, R, Maglaqui, M, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2014-10-09 | Release date: | 2014-10-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.523 Å) | Cite: | Northeast Structural Genomics Consortium Target OR461 To be published
|
|
4RN2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rn2 by Molmil](/molmil-images/mine/4rn2) | Crystal structure of S39D HDAC8 in complex with a largazole analogue. | Descriptor: | (5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,17,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione, Histone deacetylase 8, POTASSIUM ION, ... | Authors: | Decroos, C, Christianson, D.W. | Deposit date: | 2014-10-22 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Variable Active Site Loop Conformations Accommodate the Binding of Macrocyclic Largazole Analogues to HDAC8. Biochemistry, 54, 2015
|
|
1TKY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tky by Molmil](/molmil-images/mine/1tky) | Crystal structure of the editing domain of threonyl-tRNA synthetase complexed with seryl-3'-aminoadenosine | Descriptor: | SERINE-3'-AMINOADENOSINE, Threonyl-tRNA synthetase | Authors: | Dock-Bregeon, A.C, Rees, B, Torres-Larios, A, Bey, G, Caillet, J, Moras, D. | Deposit date: | 2004-06-09 | Release date: | 2004-11-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Achieving Error-Free Translation; The Mechanism of Proofreading of Threonyl-tRNA Synthetase at Atomic Resolution. Mol.Cell, 16, 2004
|
|
4RTD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rtd by Molmil](/molmil-images/mine/4rtd) | Escherichia coli alpha-2-macroglobulin activated by porcine elastase | Descriptor: | Uncharacterized lipoprotein YfhM | Authors: | Fyfe, C.D, Grinter, R, Roszak, A.W, Josts, I, Cogdell, R.J, Walker, D. | Deposit date: | 2014-11-14 | Release date: | 2015-07-15 | Last modified: | 2015-07-29 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | Structure of protease-cleaved Escherichia coli alpha-2-macroglobulin reveals a putative mechanism of conformational activation for protease entrapment. Acta Crystallogr.,Sect.D, 71, 2015
|
|
4RX0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rx0 by Molmil](/molmil-images/mine/4rx0) | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM265 | Descriptor: | 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Deng, X, Phillips, M, Tomchick, D. | Deposit date: | 2014-12-08 | Release date: | 2015-07-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A long-duration dihydroorotate dehydrogenase inhibitor (DSM265) for prevention and treatment of malaria. Sci Transl Med, 7, 2015
|
|
4RV2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rv2 by Molmil](/molmil-images/mine/4rv2) | Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadAB hetero-dimer from Mycobacterium smegmatis | Descriptor: | MaoC family protein, SULFATE ION, UPF0336 protein MSMEG_1340/MSMEI_1302 | Authors: | Biswas, R, Hazra, D, Dutta, D, Das, A.K. | Deposit date: | 2014-11-24 | Release date: | 2015-02-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of dehydratase component HadAB complex of mycobacterial FAS-II pathway. Biochem.Biophys.Res.Commun., 458, 2015
|
|
1SZU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1szu by Molmil](/molmil-images/mine/1szu) | The structure of gamma-aminobutyrate aminotransferase mutant: V241A | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-aminobutyrate aminotransferase, ... | Authors: | Liu, W, Peterson, P.E, Langston, J.A, Jin, X, Zhou, X, Fisher, A.J, Toney, M.D. | Deposit date: | 2004-04-06 | Release date: | 2005-03-01 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Kinetic and Crystallographic Analysis of Active Site Mutants of Escherichia coligamma-Aminobutyrate Aminotransferase. Biochemistry, 44, 2005
|
|