2K4X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2k4x by Molmil](/molmil-images/mine/2k4x) | Solution structure of 30S ribosomal protein S27A from Thermoplasma acidophilum | Descriptor: | 30S ribosomal protein S27ae, ZINC ION | Authors: | Wu, B, Yee, A, Fares, C, Lemak, A, Semest, A, Arrowsmith, C, Montelione, G.T, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP) | Deposit date: | 2008-06-20 | Release date: | 2008-08-19 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution structure of 30S ribosomal protein S27A from Thermoplasma acidophilum/Northeast Structural Genomics Consortium Target TaT88/Ontario Center for Structural Proteomics target ta1093 To be Published
|
|
1JQ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1jq3 by Molmil](/molmil-images/mine/1jq3) | Crystal Structure of Spermidine Synthase in Complex with Transition State Analogue AdoDATO | Descriptor: | S-ADENOSYL-1,8-DIAMINO-3-THIOOCTANE, Spermidine synthase | Authors: | Korolev, S, Ikeguchi, Y, Skarina, T, Beasley, S, Edwards, A, Joachimiak, A, Pegg, A.E, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2001-08-03 | Release date: | 2001-11-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structure of spermidine synthase with a multisubstrate adduct inhibitor. Nat.Struct.Biol., 9, 2002
|
|
2Y37
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2y37 by Molmil](/molmil-images/mine/2y37) | The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS) | Descriptor: | 2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | Authors: | Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T.N, Boughton-Smith, N, Connolly, S, Cook, T.R, Cooper, A, Cooper, S.L, Cox, D, Dixon, J, Gensmantel, N, Hamley, P.J, Harrison, R, Hartopp, P, Kack, H, Luker, T, Mete, A, Millichip, I, Nicholls, D.J, Pimm, A.D, St-Gallay, S.A, Wallace, A.V. | Deposit date: | 2010-12-19 | Release date: | 2011-04-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos). Bioorg.Med.Chem.Lett., 21, 2011
|
|
4JFI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jfi by Molmil](/molmil-images/mine/4jfi) | Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with compound 1-[(9S,13R,13aR)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6H-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione | Descriptor: | 1-[(9S,13R,13aR)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6H-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F. | Deposit date: | 2013-02-28 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control. J.Med.Chem., 56, 2013
|
|
5DI8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5di8 by Molmil](/molmil-images/mine/5di8) | Fc Knob-Hole Heterodimer T366W + T366S/L368A/Y407V | Descriptor: | Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Secrist, E, Demarest, S.J, Kuhlman, B. | Deposit date: | 2015-08-31 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
|
|
4NUO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nuo by Molmil](/molmil-images/mine/4nuo) | Crystal structure of zinc-bound Na-ASP-2 | Descriptor: | Ancylostoma secreted protein 2, ZINC ION | Authors: | Hofmann, A. | Deposit date: | 2013-12-03 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Probing the equatorial groove of the hookworm protein and vaccine candidate antigen, Na-ASP-2. Int.J.Biochem.Cell Biol., 50, 2014
|
|
4H57
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4h57 by Molmil](/molmil-images/mine/4h57) | Thermolysin inhibition | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Englert, L, Biela, A, Heine, A, Klebe, G. | Deposit date: | 2012-09-18 | Release date: | 2012-10-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Dissecting the hydrophobic effect on the molecular level: the role of water, enthalpy, and entropy in ligand binding to thermolysin. Angew.Chem.Int.Ed.Engl., 52, 2013
|
|
1ZD8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1zd8 by Molmil](/molmil-images/mine/1zd8) | Structure of human adenylate kinase 3 like 1 | Descriptor: | GTP:AMP phosphotransferase mitochondrial | Authors: | Choe, J, Atanassova, A, Arrowsmith, C, Edwards, A, Sundstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2005-04-14 | Release date: | 2005-05-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structure of human adenylate kinase 3 like 1 to be published
|
|
5R83
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5r83 by Molmil](/molmil-images/mine/5r83) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z44592329 | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-phenyl-N'-pyridin-3-ylurea | Authors: | Fearon, D, Powell, A.J, Douangamath, A, Owen, C.D, Wild, C, Krojer, T, Lukacik, P, Strain-Damerell, C.M, Walsh, M.A, von Delft, F. | Deposit date: | 2020-03-03 | Release date: | 2020-03-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
|
|
1URH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1urh by Molmil](/molmil-images/mine/1urh) | The "Rhodanese" fold and catalytic mechanism of 3-mercaptopyruvate sulfotransferases: Crystal structure of SseA from Escherichia coli | Descriptor: | 3-MERCAPTOPYRUVATE SULFURTRANSFERASE, SULFITE ION | Authors: | Spallarossa, A, Forlani, F, Carpen, A, Armirotti, A, Pagani, S, Bolognesi, M, Bordo, D. | Deposit date: | 2003-10-30 | Release date: | 2003-12-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The "Rhodanese" Fold and Catalytic Mechanism of 3-Mercaptopyruvate Sulfurtransferases: Crystal Structure of Ssea from Escherichia Coli J.Mol.Biol., 335, 2004
|
|
5R7Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5r7y by Molmil](/molmil-images/mine/5r7y) | PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z45617795 | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Fearon, D, Powell, A.J, Douangamath, A, Owen, C.D, Wild, C, Krojer, T, Lukacik, P, Strain-Damerell, C.M, Walsh, M.A, von Delft, F. | Deposit date: | 2020-03-03 | Release date: | 2020-03-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
|
|
4TW6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tw6 by Molmil](/molmil-images/mine/4tw6) | The Fk1 domain of FKBP51 in complex with iFit1 | Descriptor: | (3-{(1R)-3-(3,4-dimethoxyphenyl)-1-[({(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)pent-4-enoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetic acid, GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP5, ... | Authors: | Gaali, S, Kirschner, A, Cuboni, S, Hartmann, J, Kozany, C, Balsevich, G, Namendorf, C, Fernandez-Vizarra, P, Almeida, O.F.X, Ruehter, G, Uhr, M, Schmidt, M.V, Touma, C, Bracher, A, Hausch, F. | Deposit date: | 2014-06-30 | Release date: | 2014-11-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Selective inhibitors of the FK506-binding protein 51 by induced fit. Nat.Chem.Biol., 11, 2015
|
|
3CAJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3caj by Molmil](/molmil-images/mine/3caj) | Crystal structure of the human carbonic anhydrase II in complex with ethoxzolamide | Descriptor: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, CHLORIDE ION, Carbonic anhydrase 2, ... | Authors: | Di Fiore, A, De Simone, G. | Deposit date: | 2008-02-20 | Release date: | 2008-04-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Carbonic anhydrase inhibitors: the X-ray crystal structure of ethoxzolamide complexed to human isoform II reveals the importance of thr200 and gln92 for obtaining tight-binding inhibitors Bioorg.Med.Chem.Lett., 18, 2008
|
|
4NUK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nuk by Molmil](/molmil-images/mine/4nuk) | Crystal structure of nickel-bound Na-ASP-2 | Descriptor: | Ancylostoma secreted protein 2, NICKEL (II) ION | Authors: | Hofmann, A. | Deposit date: | 2013-12-03 | Release date: | 2014-05-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Probing the equatorial groove of the hookworm protein and vaccine candidate antigen, Na-ASP-2. Int.J.Biochem.Cell Biol., 50, 2014
|
|
2A61
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2a61 by Molmil](/molmil-images/mine/2a61) | The crystal structure of transcriptional regulator Tm0710 from Thermotoga maritima | Descriptor: | transcriptional regulator Tm0710 | Authors: | Lunin, V.V, Evdokimova, E, Kudritska, M, Chang, C, Joachimiak, A, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-07-01 | Release date: | 2005-07-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structure of transcriptional regulator Tm0710 from Thermotoga maritima To be Published
|
|
1XZ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xz2 by Molmil](/molmil-images/mine/1xz2) | wild-type hemoglobin deoxy no-salt | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A, Hui, H.L, Wierzba, A, DeYoung, A, Kwiatkowski, L.D, Noble, R.W, Juszczak, L.J, Peterson, E.S, Friedman, J.M. | Deposit date: | 2004-11-11 | Release date: | 2004-11-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Intersubunit interactions associated with tyr42alpha stabilize the quaternary-T tetramer but are not major quaternary constraints in deoxyhemoglobin Biochemistry, 44, 2005
|
|
4JFK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jfk by Molmil](/molmil-images/mine/4jfk) | Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with (1S,6R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1S,6R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F. | Deposit date: | 2013-02-28 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control. J.Med.Chem., 56, 2013
|
|
3OI7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3oi7 by Molmil](/molmil-images/mine/3oi7) | Structure of the structure of the H13A mutant of Ykr043C in complex with sedoheptulose-1,7-bisphosphate | Descriptor: | 1,2-ETHANEDIOL, 1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose, GLYCEROL, ... | Authors: | Singer, A.U, Xu, X, Dong, A, Cui, H, Clasquin, M.F, Caudy, A.A, Edwards, A.M, Savchenko, A, Joachimiak, A, Yakunin, A.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-08-18 | Release date: | 2010-11-17 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Riboneogenesis in yeast. Cell(Cambridge,Mass.), 145, 2011
|
|
1EAA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1eaa by Molmil](/molmil-images/mine/1eaa) | |
3D3I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3d3i by Molmil](/molmil-images/mine/3d3i) | Crystal structural of Escherichia coli K12 YgjK, a glucosidase belonging to glycoside hydrolase family 63 | Descriptor: | CALCIUM ION, GLYCEROL, Uncharacterized protein ygjK | Authors: | Kurakata, Y, Uechi, A, Yoshida, H, Kamitori, S, Sakano, Y, Nishikawa, A, Tonozuka, T. | Deposit date: | 2008-05-12 | Release date: | 2008-06-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural insights into the substrate specificity and function of Escherichia coli K12 YgjK, a glucosidase belonging to the glycoside hydrolase family 63. J.Mol.Biol., 381, 2008
|
|
2A35
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2a35 by Molmil](/molmil-images/mine/2a35) | 1.5 A Crystal Structure of a Protein of Unknown Function PA4017 from Pseudomonas aeruginosa PAO1, Possible Epimerase | Descriptor: | hypothetical protein PA4017 | Authors: | Zhang, R, Xu, L, Cuff, M, Savchenko, A, Cymborowski, M, Minor, W, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-06-23 | Release date: | 2005-08-09 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 1.5A crystal structure of a hypothetical protein PA4017 from
Pseudomonas aeruginosa PAO1 To be Published
|
|
4O0T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o0t by Molmil](/molmil-images/mine/4o0t) | |
2QNW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qnw by Molmil](/molmil-images/mine/2qnw) | Toxoplasma gondii apicoplast-targeted acyl carrier protein | Descriptor: | Acyl carrier protein, SODIUM ION, SULFATE ION, ... | Authors: | Lunin, V.V, Wernimont, A, Lew, J, Qiu, W, Lin, L, Hassanali, A, Kozieradzki, I, Zhao, Y, Schapira, M, Bochkarev, A, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A, Hui, R, Brokx, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-07-19 | Release date: | 2007-07-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Toxoplasma gondii apicoplast-targeted acyl carrier protein. To be Published
|
|
1HF4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1hf4 by Molmil](/molmil-images/mine/1hf4) | STRUCTURAL EFFECTS OF MONOVALENT ANIONS ON POLYMORPHIC LYSOZYME CRYSTALS | Descriptor: | LYSOZYME, NITRATE ION, SODIUM ION | Authors: | Vaney, M.C, Broutin, I, Ries-Kautt, M, Ducruix, A. | Deposit date: | 2000-11-29 | Release date: | 2001-01-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural Effects of Monovalent Anions on Polymorphic Lysozyme Crystals Acta Crystallogr.,Sect.D, 57, 2001
|
|
1U60
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1u60 by Molmil](/molmil-images/mine/1u60) | MCSG APC5046 Probable glutaminase ybaS | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, Probable glutaminase ybaS | Authors: | Chang, C, Cuff, M.E, Joachimiak, A, Savchenko, A, Edwards, A, Skarina, T, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-07-28 | Release date: | 2004-09-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Functional and structural characterization of four glutaminases from Escherichia coli and Bacillus subtilis. Biochemistry, 47, 2008
|
|