1BSG
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![BU of 1bsg by Molmil](/molmil-images/mine/1bsg) | |
3X2V
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![BU of 3x2v by Molmil](/molmil-images/mine/3x2v) | Michaelis-like complex of cAMP-dependent Protein Kinase Catalytic Subunit | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, MAGNESIUM ION, ... | Authors: | Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T. | Deposit date: | 2015-01-02 | Release date: | 2015-12-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation. Structure, 23, 2015
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3ZGF
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![BU of 3zgf by Molmil](/molmil-images/mine/3zgf) | Crystal structure of the Fucosylgalactoside alpha N- acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with in complex with NPE caged UDP-Gal (P2(1)2(1)2(1) space group) | Descriptor: | 1-(2-NITROPHENYL)ETHYL UDP-GALACTOSE, HISTO-BLOOD GROUP ABO SYSTEM TRANSFERASE, MANGANESE (II) ION, ... | Authors: | Jorgensen, R, Batot, G.O, Hindsgaul, O, Tanaka, H, Perez, S, Imberty, A, Breton, C, Royant, A, Palcic, M.M. | Deposit date: | 2012-12-17 | Release date: | 2013-01-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Structures of a Human Blood Group Glycosyltransferase in Complex with a Photo-Activatable Udp-Gal Derivative Reveal Two Different Binding Conformations Acta Crystallogr.,Sect.F, 70, 2014
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3X3C
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![BU of 3x3c by Molmil](/molmil-images/mine/3x3c) | Crystal structure of the light-driven sodium pump KR2 in neutral state | Descriptor: | OLEIC ACID, RETINAL, Sodium pumping rhodopsin | Authors: | Kato, H.E, Inoue, K, Abe-Yoshizumi, R, Kato, Y, Ono, H, Konno, M, Ishizuka, T, Hoque, M.R, Hososhima, S, Kunitomo, H, Ito, J, Yoshizawa, S, Yamashita, K, Takemoto, M, Nishizawa, T, Taniguchi, R, Kogure, K, Maturana, A.D, Iino, Y, Yawo, H, Ishitani, R, Kandori, H, Nureki, O. | Deposit date: | 2015-01-18 | Release date: | 2015-04-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for Na(+) transport mechanism by a light-driven Na(+) pump Nature, 521, 2015
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3ZK2
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3X2U
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![BU of 3x2u by Molmil](/molmil-images/mine/3x2u) | Michaelis-like initial complex of cAMP-dependent Protein Kinase Catalytic Subunit. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Substrate Peptide, ... | Authors: | Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T. | Deposit date: | 2015-01-02 | Release date: | 2015-12-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation. Structure, 23, 2015
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3ZSX
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![BU of 3zsx by Molmil](/molmil-images/mine/3zsx) | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design | Descriptor: | 1,2-ETHANEDIOL, 5-({[2-(benzylcarbamoyl)benzyl](prop-2-en-1-yl)amino}methyl)-1,3-benzodioxole-4-carboxylate, ACETATE ION, ... | Authors: | Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J. | Deposit date: | 2011-07-01 | Release date: | 2012-07-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design. Plos One, 7, 2012
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3ZMR
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![BU of 3zmr by Molmil](/molmil-images/mine/3zmr) | Bacteroides ovatus GH5 xyloglucanase in complex with a XXXG heptasaccharide | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CELLULASE (GLYCOSYL HYDROLASE FAMILY 5), ... | Authors: | Larsbrink, J, Rogers, T.E, Hemsworth, G.R, McKee, L.S, Spadiut, O, Klinter, S, Pudlo, N.A, Urs, K, Kelly, A.G, Cederholm, S.N, Davies, G.J, Martens, E.C, Brumer, H. | Deposit date: | 2013-02-12 | Release date: | 2014-01-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | A Discrete Genetic Locus Confers Xyloglucan Metabolism in Select Human Gut Bacteroidetes Nature, 506, 2014
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3ZHE
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![BU of 3zhe by Molmil](/molmil-images/mine/3zhe) | Structure of the C. elegans SMG5-SMG7 complex | Descriptor: | NONSENSE-MEDIATED MRNA DECAY PROTEIN, PROTEIN SMG-7 | Authors: | Jonas, S, Weichenrieder, O, Izaurralde, E. | Deposit date: | 2012-12-21 | Release date: | 2013-02-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | An Unusual Arrangement of Two 14-3-3-Like Domains in the Smg5-Smg7 Heterodimer is Required for Efficient Nonsense-Mediated Mrna Decay. Genes Dev., 27, 2013
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3ZOB
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![BU of 3zob by Molmil](/molmil-images/mine/3zob) | Solution structure of chicken Engrailed 2 homeodomain | Descriptor: | HOMEOBOX PROTEIN ENGRAILED-2 | Authors: | Carlier, L, Balayssac, S, Cantrelle, F.X, Khemtemourian, L, Chassaing, G, Joliot, A, Lequin, O. | Deposit date: | 2013-02-21 | Release date: | 2013-08-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Investigation of Homeodomain Membrane Translocation Properties: Insights from the Structure Determination of Engrailed-2 Homeodomain in Aqueous and Membrane-Mimetic Environments. Biophys.J., 105, 2013
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3ZUH
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![BU of 3zuh by Molmil](/molmil-images/mine/3zuh) | Negative stain EM Map of the AAA protein CbbX, a red-type Rubisco activase from R. sphaeroides | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, PROTEIN CBBX, RIBULOSE-1,5-DIPHOSPHATE | Authors: | Mueller-Cajar, O, Stotz, M, Wendler, P, Hartl, F.U, Bracher, A, Hayer-Hartl, M. | Deposit date: | 2011-07-19 | Release date: | 2011-11-09 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (21 Å) | Cite: | Structure and Function of the Aaa+ Protein Cbbx, a Red-Type Rubisco Activase. Nature, 479, 2011
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3ZR0
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![BU of 3zr0 by Molmil](/molmil-images/mine/3zr0) | Crystal structure of human MTH1 in complex with 8-oxo-dGMP | Descriptor: | 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, SULFATE ION | Authors: | Svensson, L.M, Jemth, A, Desroses, M, Loseva, O, Helleday, T, Hogbom, M, Stenmark, P. | Deposit date: | 2011-06-13 | Release date: | 2011-07-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Human Mth1 and the 8-Oxo-Dgmp Product Complex. FEBS Lett., 585, 2011
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4AHT
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![BU of 4aht by Molmil](/molmil-images/mine/4aht) | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | Descriptor: | 1,2-ETHANEDIOL, 1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | Deposit date: | 2012-02-07 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification? J.Biomol.Screen, 18, 2013
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4AF2
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![BU of 4af2 by Molmil](/molmil-images/mine/4af2) | C61S mutant of thiol peroxidase form E. coli. | Descriptor: | THIOL PEROXIDASE | Authors: | Beckham, K.S.H, Roe, A.J, Byron, O, Gabrielsen, M. | Deposit date: | 2012-01-16 | Release date: | 2012-05-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The Structure of an Orthorhombic Crystal Form of a `Forced Reduced' Thiol Peroxidase Reveals Lattice Formation Aided by the Presence of the Affinity Tag Acta Crystallogr.,Sect.F, 68, 2012
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4B4C
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![BU of 4b4c by Molmil](/molmil-images/mine/4b4c) | Crystal structure of the DNA-binding domain of human CHD1. | Descriptor: | 1,2-ETHANEDIOL, CHROMODOMAIN-HELICASE-DNA-BINDING PROTEIN 1, GLYCEROL, ... | Authors: | Allerston, C.K, Cooper, C.D.O, Shrestha, L, Vollmar, M, Burgess-Brown, N, Yue, W.W, Carpenter, E.P, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Gileadi, O. | Deposit date: | 2012-07-30 | Release date: | 2012-08-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Crystal Structure of the DNA-Binding Domain of Human Chd1. To be Published
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4AX0
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![BU of 4ax0 by Molmil](/molmil-images/mine/4ax0) | Q157A mutant. Crystal Structure of the Mobile Metallo-beta-Lactamase AIM-1 from Pseudomonas aeruginosa: Insights into Antibiotic Binding and the role of Gln157 | Descriptor: | ACETATE ION, CALCIUM ION, METALLO-BETA-LACTAMASE AIM-1, ... | Authors: | Leiros, H.-K.S, Borra, P.S, Brandsdal, B.O, Edvardsen, K.S.W, Spencer, J, Walsh, T.R, Samuelsen, O. | Deposit date: | 2012-06-06 | Release date: | 2012-06-20 | Last modified: | 2018-06-20 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 from Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of Gln157 Antimicrob.Agents Chemother., 56, 2012
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4A5W
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![BU of 4a5w by Molmil](/molmil-images/mine/4a5w) | Crystal structure of C5b6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COMPLEMENT C5, ... | Authors: | Hadders, M.A, Bubeck, D, Forneris, F, Pangburn, M, Llorca, O, Lea, S.M, Gros, P. | Deposit date: | 2011-10-28 | Release date: | 2012-03-14 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Assembly and Regulation of the Membrane Attack Complex Based on Structures of C5B6 and Sc5B9. Cell Rep., 1, 2012
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4AHS
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![BU of 4ahs by Molmil](/molmil-images/mine/4ahs) | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | Descriptor: | 1,2-ETHANEDIOL, 1-BENZOFURAN-7-CARBOXYLIC ACID, ACETATE ION, ... | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | Deposit date: | 2012-02-07 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification? J.Biomol.Screen, 18, 2013
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4A92
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![BU of 4a92 by Molmil](/molmil-images/mine/4a92) | Full-length HCV NS3-4A protease-helicase in complex with a macrocyclic protease inhibitor. | Descriptor: | (1'R,2R,2'S,6S,24AS)-17-FLUORO-6-(1-METHYL-2-OXOPIPERIDINE-3-CARBOXAMIDO)-19,19-DIOXIDO-5,21,24-TRIOXO-2'-VINYL-1,2,3,5,6,7,8,9,10,11,12,13,14,20,21,23,24,24A-OCTADECAHYDROSPIRO[BENZO[S]PYRROLO[2,1-G][1,2,5,8,18]THIATETRAAZACYCLOICOSINE-22,1'-CYCLOPRO-2-CARBOXYLATEPAN]-2-YL 4-FLUOROISOINDOLINE, SERINE PROTEASE NS3, ZINC ION | Authors: | Schiering, N, D'Arcy, A, Simic, O, Eder, J, Raman, P, Svergun, D.I, Bodendorf, U. | Deposit date: | 2011-11-23 | Release date: | 2011-12-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | A Macrocyclic Hcv Ns3/4A Protease Inhibitor Interacts with Protease and Helicase Residues in the Complex with its Full- Length Target. Proc.Natl.Acad.Sci.USA, 108, 2011
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4B9F
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![BU of 4b9f by Molmil](/molmil-images/mine/4b9f) | High resolution structure for family 3a carbohydrate binding module from the cipA scaffolding of clostridium thermocellum | Descriptor: | CALCIUM ION, CELLULOSOMAL-SCAFFOLDING PROTEIN A, SULFATE ION | Authors: | Yaniv, O, Shimon, L.J.W, Bayer, E.A, Lamed, R, Frolow, F. | Deposit date: | 2012-09-04 | Release date: | 2012-09-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | High Resolution Structure of the Family 3A Carbohydrate-Binding Module from the Mafor Scaffoldin Subunit Cipa of Clostridium Thermocellum To be Published
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4B5Z
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![BU of 4b5z by Molmil](/molmil-images/mine/4b5z) | Structure of the apo-rFnBPA(189-505) from Staphylococcus aureus | Descriptor: | FIBRONECTIN-BINDING PROTEIN A | Authors: | Stemberk, V, Moroz, O, Atkin, K.E, Turkenburg, J.P, Potts, J.R. | Deposit date: | 2012-08-08 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Evidence for Steric Regulation of Fibrinogen Binding to Staphylococcus Aureus Fibronectin-Binding Protein a (Fnbpa). J.Biol.Chem., 289, 2014
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4B9C
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![BU of 4b9c by Molmil](/molmil-images/mine/4b9c) | Biomass sensoring modules from putative Rsgi-like proteins of Clostridium thermocellum resemble family 3 carbohydrate-binding module of cellulosome | Descriptor: | CALCIUM ION, TYPE 3A CELLULOSE-BINDING DOMAIN PROTEIN | Authors: | Yaniv, O, Shimon, L.J.W, Bayer, E.A, Lamed, R, Frolow, F. | Deposit date: | 2012-09-04 | Release date: | 2013-09-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.171 Å) | Cite: | Fine-Structural Variance of Family 3 Carbohydrate-Binding Modules as Extracellular Biomass-Sensing Components of Clostridium Thermocellum Anti-Sigma(I) Factors. Acta Crystallogr.,Sect.D, 70, 2014
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4BDL
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![BU of 4bdl by Molmil](/molmil-images/mine/4bdl) | Crystal structure of the GluK2 K531A LBD dimer in complex with glutamate | Descriptor: | GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2, GLUTAMIC ACID, ... | Authors: | Nayeem, N, Mayans, O, Green, T. | Deposit date: | 2012-10-05 | Release date: | 2013-04-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Correlating Efficacy and Desensitization with Gluk2 Ligand-Binding Domain Movements. Open Biol., 3, 2013
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4B97
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![BU of 4b97 by Molmil](/molmil-images/mine/4b97) | Biomass sensing modules from putative Rsgi-like proteins of Clostridium thermocellum resemble family 3 carbohydrate-binding module of cellulosome | Descriptor: | CALCIUM ION, CELLULOSE BINDING DOMAIN-CONTAINING PROTEIN | Authors: | Yaniv, O, Fichman, G, Shimon, L.J.W, Bayer, E.A, Lamed, R, Frolow, F. | Deposit date: | 2012-09-03 | Release date: | 2013-09-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.276 Å) | Cite: | Fine-Structural Variance of Family 3 Carbohydrate-Binding Modules as Extracellular Biomass-Sensing Components of Clostridium Thermocellum Anti-Sigma(I) Factors. Acta Crystallogr.,Sect.D, 70, 2014
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4ANJ
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![BU of 4anj by Molmil](/molmil-images/mine/4anj) | MYOSIN VI (MDinsert2-GFP fusion) PRE-POWERSTROKE STATE (MG.ADP.AlF4) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CALMODULIN, ... | Authors: | Menetrey, J, Isabet, T, Ropars, V, Mukherjea, M, Pylypenko, O, Liu, X, Perez, J, Vachette, P, Sweeney, H.L, Houdusse, A.M. | Deposit date: | 2012-03-19 | Release date: | 2012-10-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Processive Steps in the Reverse Direction Require Uncoupling of the Lead Head Lever Arm of Myosin Vi. Mol.Cell, 48, 2012
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