4UEO
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![BU of 4ueo by Molmil](/molmil-images/mine/4ueo) | Open state of galactitol-1-phosphate 5-dehydrogenase from E. coli, with zinc in the catalytic site. | Descriptor: | GALACTITOL-1-PHOSPHATE 5-DEHYDROGENASE, ZINC ION | Authors: | Benavente, R, Esteban-Torres, M, Kohring, G.W, Cortes-Cabrera, A, Gago, F, Acebron, I, de las Rivas, B, Munoz, R, Mancheno, J.M. | Deposit date: | 2014-12-18 | Release date: | 2015-07-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Enantioselective Oxidation of Galactitol 1-Phosphate by Galactitol-1-Phosphate 5-Dehydrogenase from Escherichia Coli Acta Crystallogr.,Sect.D, 71, 2015
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4UPK
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4UNT
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![BU of 4unt by Molmil](/molmil-images/mine/4unt) | Induced monomer of the Mcg variable domain | Descriptor: | IG LAMBDA CHAIN V-II REGION MGC, SULFATE ION | Authors: | Brumshtein, B, Esswein, S.R, Landau, M, Ryan, C.M, Whitelegge, J.P, Phillips, M.L, Cascio, D, Sawaya, M.R, Eisenberg, D.S. | Deposit date: | 2014-05-30 | Release date: | 2014-08-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Formation of Amyloid Fibers by Monomeric Light-Chain Variable Domains. J.Biol.Chem., 289, 2014
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4V7F
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![BU of 4v7f by Molmil](/molmil-images/mine/4v7f) | Arx1 pre-60S particle. | Descriptor: | 25S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | Authors: | Leidig, C, Thoms, M, Holdermann, I, Bradatsch, B, Berninghausen, O, Bange, G, Sinning, I, Hurt, E, Beckmann, R. | Deposit date: | 2013-12-10 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (8.7 Å) | Cite: | 60S ribosome biogenesis requires rotation of the 5S ribonucleoprotein particle. Nat Commun, 5, 2014
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4V3D
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![BU of 4v3d by Molmil](/molmil-images/mine/4v3d) | The CIDRa domain from HB3var03 PfEMP1 bound to endothelial protein C receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ENDOTHELIAL PROTEIN C RECEPTOR, ... | Authors: | Lau, C.K.Y, Turner, L, Jespersen, J.S, Lowe, E.D, Petersen, B, Wang, C.W, Petersen, J.E.V, Lusingu, J, Theander, T.G, Lavstsen, T, Higgins, M.K. | Deposit date: | 2014-10-17 | Release date: | 2014-12-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural Conservation Despite Huge Sequence Diversity Allows Epcr Binding by the Pfemp1 Family Implicated in Severe Childhood Malaria. Cell Host Microbe., 17, 2015
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4V5H
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![BU of 4v5h by Molmil](/molmil-images/mine/4v5h) | E.Coli 70s Ribosome Stalled During Translation Of Tnac Leader Peptide. | Descriptor: | 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ... | Authors: | Seidelt, B, Innis, C.A, Wilson, D.N, Gartmann, M, Armache, J, Villa, E, Trabuco, L.G, Becker, T, Mielke, T, Schulten, K, Steitz, T.A, Beckmann, R. | Deposit date: | 2009-10-26 | Release date: | 2014-07-09 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (5.8 Å) | Cite: | Structural insight into nascent polypeptide chain-mediated translational stalling. Science, 326, 2009
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4V7H
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![BU of 4v7h by Molmil](/molmil-images/mine/4v7h) | Structure of the 80S rRNA and proteins and P/E tRNA for eukaryotic ribosome based on cryo-EM map of Thermomyces lanuginosus ribosome at 8.9A resolution | Descriptor: | 18S rRNA, 26S ribosomal RNA, 40S ribosomal protein S0(A), ... | Authors: | Taylor, D.J, Devkota, B, Huang, A.D, Topf, M, Narayanan, E, Sali, A, Harvey, S.C, Frank, J. | Deposit date: | 2009-09-22 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (8.9 Å) | Cite: | Comprehensive molecular structure of the eukaryotic ribosome. Structure, 17, 2009
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4V38
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![BU of 4v38 by Molmil](/molmil-images/mine/4v38) | Apo-structure of alpha2,3-sialyltransferase variant 1 from Pasteurella dagmatis | Descriptor: | SIALYLTRANSFERASE | Authors: | Pavkov-Keller, T, Schmoelzer, K, Czabany, T, Luley-Goedl, C, Ribitsch, D, Schwab, H, Nidetzky, B, Gruber, K. | Deposit date: | 2014-10-17 | Release date: | 2015-04-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Complete Switch from Alpha2,3- to Alpha2,6-Regioselectivity in Pasteurella Dagmatis Beta-D-Galactoside Sialyltransferase by Active-Site Redesign Chem.Commun.(Camb.), 51, 2015
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4V26
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![BU of 4v26 by Molmil](/molmil-images/mine/4v26) | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells | Descriptor: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-CHLORO-5-METHYLPYRIMIDIN-4-YL)PHENYL]-2,4-DIHYDROXY-N-(4-{[(TRIFLUOROACETYL)AMINO]METHYL}BENZYL)BENZAMIDE, ... | Authors: | Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C. | Deposit date: | 2014-10-06 | Release date: | 2014-12-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells. Oncotarget, 5, 2014
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4X1Q
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![BU of 4x1q by Molmil](/molmil-images/mine/4x1q) | The crystal structure of mupain-1 in complex with murinised human uPA at pH7.4 | Descriptor: | Urokinase-type plasminogen activator, mupain-1 | Authors: | Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M. | Deposit date: | 2014-11-25 | Release date: | 2015-03-25 | Last modified: | 2015-11-04 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility. Plos One, 9, 2014
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4W7H
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![BU of 4w7h by Molmil](/molmil-images/mine/4w7h) | Crystal Structure of DEH Reductase A1-R Mutant | Descriptor: | Carbonyl reductase | Authors: | Takase, R, Mikami, B, Kawai, S, Murata, K, Hashimoto, W. | Deposit date: | 2014-08-22 | Release date: | 2014-09-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Structure-based Conversion of the Coenzyme Requirement of a Short-chain Dehydrogenase/Reductase Involved in Bacterial Alginate Metabolism. J.Biol.Chem., 289, 2014
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4W9N
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![BU of 4w9n by Molmil](/molmil-images/mine/4w9n) | Enoyl-acyl carrier protein-reductase domain from human fatty acid synthase complexed with triclosan | Descriptor: | CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase, IMIDAZOLE, ... | Authors: | Sippel, K.H, Vyas, N.K, Sankaran, B, Quiocho, F.A. | Deposit date: | 2014-08-27 | Release date: | 2014-10-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystal structure of the human Fatty Acid synthase enoyl-acyl carrier protein-reductase domain complexed with triclosan reveals allosteric protein-protein interface inhibition. J.Biol.Chem., 289, 2014
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4UZF
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4V3H
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![BU of 4v3h by Molmil](/molmil-images/mine/4v3h) | Crystal structure of CymA from Klebsiella oxytoca | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CYMA PROTEIN, NITRATE ION | Authors: | van den Berg, B, Bhamidimarri, S.P, Kleinekathoefer, U, Winterhalter, M. | Deposit date: | 2014-10-18 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Outer-membrane translocation of bulky small molecules by passive diffusion. Proc. Natl. Acad. Sci. U.S.A., 112, 2015
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4V3G
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![BU of 4v3g by Molmil](/molmil-images/mine/4v3g) | Crystal structure of CymA from Klebsiella oxytoca | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CYMA PROTEIN | Authors: | van den Berg, B, Bhamidimarri, S.P, Kleinekathoefer, U, Winterhalter, M. | Deposit date: | 2014-10-18 | Release date: | 2015-06-03 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (2.513 Å) | Cite: | Outer-membrane translocation of bulky small molecules by passive diffusion. Proc. Natl. Acad. Sci. U.S.A., 112, 2015
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4V4E
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![BU of 4v4e by Molmil](/molmil-images/mine/4v4e) | Crystal Structure of Pyrogallol-Phloroglucinol Transhydroxylase from Pelobacter acidigallici complexed with inhibitor 1,2,4,5-tetrahydroxy-benzene | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, BENZENE-1,2,4,5-TETROL, CALCIUM ION, ... | Authors: | Messerschmidt, A, Niessen, H, Abt, D, Einsle, O, Schink, B, Kroneck, P.M.H. | Deposit date: | 2004-06-02 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of pyrogallol-phloroglucinol transhydroxylase, an Mo enzyme capable of intermolecular hydroxyl transfer between phenols PROC.NATL.ACAD.SCI.USA, 101, 2004
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4V25
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![BU of 4v25 by Molmil](/molmil-images/mine/4v25) | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells | Descriptor: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide, ... | Authors: | Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C. | Deposit date: | 2014-10-06 | Release date: | 2014-12-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells. Oncotarget, 5, 2014
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4V2K
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![BU of 4v2k by Molmil](/molmil-images/mine/4v2k) | Crystal structure of the thiosulfate dehydrogenase TsdA in complex with thiosulfate | Descriptor: | HEME C, THIOSULFATE, THIOSULFATE DEHYDROGENASE | Authors: | Grabarczyk, D.B, Chappell, P.E, Eisel, B, Johnson, S, Lea, S.M, Berks, B.C. | Deposit date: | 2014-10-10 | Release date: | 2015-02-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Mechanism of Thiosulfate Oxidation in the Soxa Family of Cysteine-Ligated Cytochromes J.Biol.Chem., 290, 2015
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4V4C
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![BU of 4v4c by Molmil](/molmil-images/mine/4v4c) | Crystal Structure of Pyrogallol-Phloroglucinol Transhydroxylase from Pelobacter acidigallici | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, ACETATE ION, CALCIUM ION, ... | Authors: | Messerschmidt, A, Niessen, H, Abt, D, Einsle, O, Schink, B, Kroneck, P.M.H. | Deposit date: | 2004-06-02 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of pyrogallol-phloroglucinol transhydroxylase, an Mo enzyme capable of intermolecular hydroxyl transfer between phenols PROC.NATL.ACAD.SCI.USA, 101, 2004
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4V2U
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![BU of 4v2u by Molmil](/molmil-images/mine/4v2u) | Apo-structure of alpha2,3-sialyltransferase from Pasteurella dagmatis | Descriptor: | SIALYLTRANSFERASE | Authors: | Pavkov-Keller, T, Schmoelzer, K, Czabany, T, Luley-Goedl, C, Ribitsch, D, Schwab, H, Nidetzky, B, Gruber, K. | Deposit date: | 2014-10-15 | Release date: | 2015-04-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Complete Switch from Alpha2,3- to Alpha2,6-Regioselectivity in Pasteurella Dagmatis Beta-D-Galactoside Sialyltransferase by Active-Site Redesign Chem.Commun.(Camb.), 51, 2015
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4W82
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![BU of 4w82 by Molmil](/molmil-images/mine/4w82) | Enoyl-acyl carrier protein-reductase domain from human fatty acid synthase | Descriptor: | CHLORIDE ION, Fatty acid synthase, MAGNESIUM ION, ... | Authors: | Sippel, K.H, Vyas, N.K, Sankaran, B, Quiocho, F.A. | Deposit date: | 2014-08-22 | Release date: | 2014-10-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of the human Fatty Acid synthase enoyl-acyl carrier protein-reductase domain complexed with triclosan reveals allosteric protein-protein interface inhibition. J.Biol.Chem., 289, 2014
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4X1S
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![BU of 4x1s by Molmil](/molmil-images/mine/4x1s) | The crystal structure of mupain-1-16-D9A in complex with murinised human uPA at pH7.4 | Descriptor: | Urokinase-type plasminogen activator, mupain-1-16, piperidine-1-carboximidamide | Authors: | Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M. | Deposit date: | 2014-11-25 | Release date: | 2015-10-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility. Plos One, 9, 2014
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4V0I
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![BU of 4v0i by Molmil](/molmil-images/mine/4v0i) | Water Network Determines Selectivity for a Series of Pyrimidone Indoline Amide PI3KBeta Inhibitors over PI3K-Delta | Descriptor: | 2-[2-(2-METHYL-2,3-DIHYDRO-INDOL-1-YL)-2-OXO-ETHYL]-6-MORPHOLIN-4-YL-3H-PYRIMIDIN-4-ONE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | Authors: | Robinson, D, Bertrand, T, Carry, J.C, Halley, F, Karlsson, A, Mathieu, M, Minoux, H, Perrin, M.A, Robert, B, Schio, L, Sherman, W. | Deposit date: | 2014-09-16 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Differential Water Thermodynamics Determine Pi3K-Beta/Delta Selectivity for Solvent-Exposed Ligand Modifications. J.Chem.Inf.Model., 56, 2016
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4V4Y
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![BU of 4v4y by Molmil](/molmil-images/mine/4v4y) | Crystal structure of the 70S Thermus thermophilus ribosome with translocated and rotated Shine-Dalgarno Duplex. | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Jenner, L, Yusupova, G, Rees, B, Moras, D, Yusupov, M. | Deposit date: | 2006-06-27 | Release date: | 2014-07-09 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (5.5 Å) | Cite: | Structural basis for messenger RNA movement on the ribosome. Nature, 444, 2006
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4URE
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![BU of 4ure by Molmil](/molmil-images/mine/4ure) | Molecular Genetic and Crystal Structural Analysis of 1-(4- Hydroxyphenyl)-Ethanol Dehydrogenase from Aromatoleum aromaticum EbN1 | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ACETATE ION, CYCLOHEXANOL DEHYDROGENASE, ... | Authors: | Buesing, I, Hoeffken, H.W, Breuer, M, Woehlbrand, L, Hauer, B, Rabus, R. | Deposit date: | 2014-06-28 | Release date: | 2015-07-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular Genetic and Crystal Structural Analysis of 1-(4-Hydroxyphenyl)-Ethanol Dehydrogenase from 'Aromatoleum Aromaticum' Ebn1. J.Mol.Microbiol.Biotechnol., 25, 2015
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