3VHB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vhb by Molmil](/molmil-images/mine/3vhb) | IMIDAZOLE ADDUCT OF THE BACTERIAL HEMOGLOBIN FROM VITREOSCILLA SP. | Descriptor: | IMIDAZOLE, PROTEIN (HEMOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Bolognesi, M, Boffi, A, Coletta, M, Mozzarelli, A, Pesce, A, Tarricone, C, Ascenzi, P. | Deposit date: | 1999-03-17 | Release date: | 1999-08-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Anticooperative ligand binding properties of recombinant ferric Vitreoscilla homodimeric hemoglobin: a thermodynamic, kinetic and X-ray crystallographic study. J.Mol.Biol., 291, 1999
|
|
5A0E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a0e by Molmil](/molmil-images/mine/5a0e) | Crystal structure of cyclophilin D in complex with CsA analogue, JW47. | Descriptor: | JW47, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE F, MITOCHONDRIAL | Authors: | Warne, J, Pryce, G, Hill, J, Shi, X, Lenneras, F, Puentes, F, Kip, M, Hilditch, L, Walker, P, Simone, M, Chan, A.W.E, Towers, G, Coker, A.R, Duchen, M, Szabadkai, G, Baker, D, Selwood, D.L. | Deposit date: | 2015-04-19 | Release date: | 2015-12-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Selective Inhibition of the Mitochondrial Permeability Transition Pore Protects Against Neuro-Degeneration in Experimental Multiple Sclerosis. J.Biol.Chem., 291, 2016
|
|
3VOF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vof by Molmil](/molmil-images/mine/3vof) | Cellobiohydrolase mutant, CcCel6C D102A, in the closed form | Descriptor: | Cellobiohydrolase, beta-D-glucopyranose | Authors: | Tamura, M, Miyazaki, T, Tanaka, Y, Yoshida, M, Nishikawa, A, Tonozuka, T. | Deposit date: | 2012-01-23 | Release date: | 2012-03-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Comparison of the structural changes in two cellobiohydrolases, CcCel6A and CcCel6C, from Coprinopsis cinerea - a tweezer-like motion in the structure of CcCel6C Febs J., 279, 2012
|
|
3W1N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3w1n by Molmil](/molmil-images/mine/3w1n) | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with 5-iodoorotate | Descriptor: | 5-iodo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | Authors: | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | Deposit date: | 2012-11-19 | Release date: | 2013-11-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with 5-iodoorotate To be Published
|
|
3W20
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3w20 by Molmil](/molmil-images/mine/3w20) | Crystal Structure of a Novel N-Substituted L-Amino Acid Dioxygenase from Burkholderia ambifaria AMMD | Descriptor: | Putative uncharacterized protein, ZINC ION | Authors: | Qin, H.M, Miyakawa, T, Jia, M.Z, Nakamura, A, Ohtsuka, J, Xue, Y.L, Kawashima, T, Kasahara, T, Hibi, M, Ogawa, J, Tanokura, M. | Deposit date: | 2012-11-26 | Release date: | 2013-07-17 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Crystal Structure of a Novel N-Substituted L-Amino Acid Dioxygenase from Burkholderia ambifaria AMMD Plos One, 8, 2013
|
|
4ZSD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zsd by Molmil](/molmil-images/mine/4zsd) | Human Cyclophilin D Complexed with an Inhibitor at room temperature | Descriptor: | 1-(4-aminobenzyl)-3-[(2S)-4-(methylsulfanyl)-1-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-1-oxobutan-2-yl]urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Gelin, M, Delfosse, V, Allemand, F, Hoh, F, Sallaz-Damaz, Y, Pirocchi, M, Bourguet, W, Ferrer, J.-L, Labesse, G, Guichou, J.-F. | Deposit date: | 2015-05-13 | Release date: | 2015-08-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
|
|
3D78
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3d78 by Molmil](/molmil-images/mine/3d78) | Dimeric crystal structure of a pheromone binding protein mutant D35N, from apis mellifera, at pH 7.0 | Descriptor: | 1,2-ETHANEDIOL, N-BUTYL-BENZENESULFONAMIDE, Pheromone-binding protein ASP1 | Authors: | Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C. | Deposit date: | 2008-05-20 | Release date: | 2009-05-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Queen bee pheromone binding protein pH-induced domain swapping favors pheromone release J.Mol.Biol., 390, 2009
|
|
3VQF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vqf by Molmil](/molmil-images/mine/3vqf) | Crystal Structure Analysis of the PDZ Domain Derived from the Tight Junction Regulating Protein | Descriptor: | E3 ubiquitin-protein ligase LNX | Authors: | Akiyoshi, Y, Hamada, D, Goda, N, Tenno, T, Narita, H, Nakagawa, A, Furuse, M, Suzuki, M, Hiroaki, H. | Deposit date: | 2012-03-22 | Release date: | 2013-03-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.199 Å) | Cite: | Structural basis for down regulation of tight junction by PDZ-domain containing E3-Ubiquitin ligase To be Published
|
|
3VVL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vvl by Molmil](/molmil-images/mine/3vvl) | Crystal structure of L-serine-O-acetyltransferase found in D-cycloserine biosynthetic pathway | Descriptor: | Homoserine O-acetyltransferase | Authors: | Oda, K, Matoba, Y, Kumagai, T, Noda, M, Sugiyama, M. | Deposit date: | 2012-07-26 | Release date: | 2013-03-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Crystallographic study to determine the substrate specificity of an L-serine-acetylating enzyme found in the D-cycloserine biosynthetic pathway J.Bacteriol., 195, 2013
|
|
5HO7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ho7 by Molmil](/molmil-images/mine/5ho7) | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 5-amino-3-(methylsulfanyl)-1H-pyrazole-1,4-dicarboxamide, SULFATE ION | Authors: | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | Deposit date: | 2016-01-19 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery of novel 7-azaindoles as PDK1 inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
|
|
3W1L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3w1l by Molmil](/molmil-images/mine/3w1l) | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with 5-chloroorotate | Descriptor: | 5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | Authors: | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | Deposit date: | 2012-11-16 | Release date: | 2013-11-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with 5-chloroorotate TO BE PUBLISHED
|
|
6R7W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r7w by Molmil](/molmil-images/mine/6r7w) | Tannerella forsythia mature mirolysin in complex with a cleaved peptide. | Descriptor: | CALCIUM ION, CITRIC ACID, ETHANOL, ... | Authors: | Rodriguez-Banqueri, A, Guevara, T, Ksiazek, M, Potempa, J, Gomis-Ruth, F.X. | Deposit date: | 2019-03-29 | Release date: | 2019-11-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-based mechanism of cysteine-switch latency and of catalysis by pappalysin-family metallopeptidases. Iucrj, 7, 2020
|
|
3W1X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3w1x by Molmil](/molmil-images/mine/3w1x) | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-121 | Descriptor: | 5-{2-[4-(cyanomethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | Authors: | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | Deposit date: | 2012-11-22 | Release date: | 2013-11-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-121. To be Published
|
|
5A7T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a7t by Molmil](/molmil-images/mine/5a7t) | Crystal structure of Sulfolobus acidocaldarius Trm10 at 2.4 angstrom resolution. | Descriptor: | DI(HYDROXYETHYL)ETHER, TRNA (ADENINE(9)-N1)-METHYLTRANSFERASE | Authors: | Van Laer, B, Roovers, M, Wauters, L, Kasprzak, J, Dyzma, M, Deyaert, E, Feller, A, Bujnicki, J, Droogmans, L, Versees, W. | Deposit date: | 2015-07-09 | Release date: | 2016-01-13 | Last modified: | 2017-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and Functional Insights Into tRNA Binding and Adenosine N1-Methylation by an Archaeal Trm10 Homologue. Nucleic Acids Res., 44, 2016
|
|
5AEF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5aef by Molmil](/molmil-images/mine/5aef) | Electron cryo-microscopy of an Abeta(1-42)amyloid fibril | Descriptor: | AMYLOID BETA A4 PROTEIN | Authors: | Schmidt, M, Rohou, A, Lasker, K, Yadav, J.K, Schiene-Fischer, C, Fandrich, M, Grigorieff, N. | Deposit date: | 2015-08-29 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (5 Å) | Cite: | Peptide Dimer Structure in an Abeta(1-42) Fibril Visualized with Cryo-Em Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
2GGF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ggf by Molmil](/molmil-images/mine/2ggf) | Solution structure of the MA3 domain of human Programmed cell death 4 | Descriptor: | Programmed cell death 4, isoform 1 | Authors: | Nagata, T, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-03-24 | Release date: | 2007-04-24 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the MA3 domain of human Programmed cell death 4 To be Published
|
|
5AFG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5afg by Molmil](/molmil-images/mine/5afg) | Structure of the Stapled Peptide Bound to Mdm2 | Descriptor: | 1,8-DIETHYL-1,8-DIHYDRODIBENZO[3,4:7,8][1,2,3]TRIAZOLO[4',5':5,6]CYCLOOCTA[1,2-D][1,2,3]TRIAZOLE, E3 UBIQUITIN-PROTEIN LIGASE MDM2, STAPLED PEPTIDE | Authors: | Lau, Y.H, Wu, Y, Rossmann, M, de Andrade, P, Tan, Y.S, McKenzie, G.J, Venkitaraman, A.R, Hyvonen, M, Spring, D.R. | Deposit date: | 2015-01-22 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Double Strain-Promoted Macrocyclization for the Rapid Selection of Cell-Active Stapled Peptides. Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
5AG8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ag8 by Molmil](/molmil-images/mine/5ag8) | CRYSTAL STRUCTURE OF A MUTANT (665I6H) OF THE C-TERMINAL DOMAIN OF RGPB | Descriptor: | GINGIPAIN R2, GLYCEROL, SULFATE ION | Authors: | de Diego, I, Ksiazek, M, Mizgalska, D, Golik, P, Szmigielski, B, Nowak, M, Nowakowska, Z, Potempa, B, Koneru, L, Nguyen, K.A, Enghild, J, Thogersen, I.B, Dubin, G, Gomis-Ruth, F.X, Potempa, J. | Deposit date: | 2015-01-29 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Outer-Membrane Export Signal of Porphyromonas Gingivalis Type Ix Secretion System (T9Ss) is a Conserved C-Terminal Beta-Sandwich Domain. Sci.Rep., 6, 2016
|
|
4ZYB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zyb by Molmil](/molmil-images/mine/4zyb) | High resolution structure of M23 peptidase LytM with substrate analogue | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Grabowska, M, Jagielska, E, Czapinska, H, Bochtler, M, Sabala, I. | Deposit date: | 2015-05-21 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High resolution structure of an M23 peptidase with a substrate analogue. Sci Rep, 5, 2015
|
|
2G3A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2g3a by Molmil](/molmil-images/mine/2g3a) | Crystal structure of putative acetyltransferase from Agrobacterium tumefaciens | Descriptor: | acetyltransferase | Authors: | Cymborowski, M, Xu, X, Chruszcz, M, Zheng, H, Gu, J, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-02-17 | Release date: | 2006-03-14 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of putative acetyltransferase from Agrobacterium tumefaciens To be Published
|
|
4ZS9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zs9 by Molmil](/molmil-images/mine/4zs9) | Raffinose and panose binding protein from Bifidobacterium animalis subsp. lactis Bl-04, bound with raffinose | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Sugar binding protein of ABC transporter system, ... | Authors: | Fredslund, F, Ejby, M, Andersen, J.M, Slotboom, D.J, Abou Hachem, M. | Deposit date: | 2015-05-13 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | An ATP Binding Cassette Transporter Mediates the Uptake of alpha-(1,6)-Linked Dietary Oligosaccharides in Bifidobacterium and Correlates with Competitive Growth on These Substrates. J. Biol. Chem., 291, 2016
|
|
4ZTK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ztk by Molmil](/molmil-images/mine/4ztk) | Transpeptidase domain of FtsI4 D,D-transpeptidase from Legionella pneumophila. | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Cell division protein FtsI/penicillin binding protein 2 | Authors: | CUFF, M, OSIPIUK, J, WU, R, ENDRES, M, JOACHIMIAK, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-05-14 | Release date: | 2015-05-27 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Transpeptidase domain of FtsI4 D,D-transpeptidase from Legionella pneumophila. to be published
|
|
5AEJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5aej by Molmil](/molmil-images/mine/5aej) | Crystal structure of human Gremlin-1 | Descriptor: | GREMLIN-1, SULFATE ION | Authors: | Kisonaite, M, Hyvonen, M. | Deposit date: | 2015-08-31 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.904 Å) | Cite: | Structure of Gremlin-1 and Analysis of its Interaction with Bmp-2. Biochem.J., 473, 2016
|
|
3VK9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vk9 by Molmil](/molmil-images/mine/3vk9) | Crystal structure of delta-class glutathione transferase from silkmoth | Descriptor: | GLYCEROL, Glutathione S-transferase delta | Authors: | Kakuta, Y, Usuda, K, Higashiura, A, Suzuki, M, Nakagawa, A, Kimura, M, Yamamoto, K. | Deposit date: | 2011-11-10 | Release date: | 2012-10-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Structural basis for catalytic activity of a silkworm Delta-class glutathione transferase Biochim.Biophys.Acta, 1820, 2012
|
|
3DBS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dbs by Molmil](/molmil-images/mine/3dbs) | Structure of PI3K gamma in complex with GDC0941 | Descriptor: | 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Wiesmann, C, Ultsch, M. | Deposit date: | 2008-06-02 | Release date: | 2008-06-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The identification of 2-(1H-indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine (GDC-0941) as a potent, selective, orally bioavailable inhibitor of class I PI3 kinase for the treatment of cancer J.Med.Chem., 51, 2008
|
|