3UPU
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![BU of 3upu by Molmil](/molmil-images/mine/3upu) | Crystal structure of the T4 Phage SF1B Helicase Dda | Descriptor: | 5'-D(*TP*TP*TP*TP*TP*TP*TP*T)-3', ATP-dependent DNA helicase dda | Authors: | He, X, Yun, M.K, Pemble IV, C.W, Kreuzer, K.N, Raney, K.D, White, S.W. | Deposit date: | 2011-11-18 | Release date: | 2012-06-20 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (3.299 Å) | Cite: | The T4 Phage SF1B Helicase Dda Is Structurally Optimized to Perform DNA Strand Separation. Structure, 20, 2012
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3UR9
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![BU of 3ur9 by Molmil](/molmil-images/mine/3ur9) | 1.65A resolution structure of Norwalk Virus Protease Containing a covalently bound dipeptidyl inhibitor | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like protease, CHLORIDE ION | Authors: | Lovell, S, Battaile, K.P, Kim, Y, Tiew, K.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.O. | Deposit date: | 2011-11-21 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses. J.Virol., 86, 2012
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3UC8
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![BU of 3uc8 by Molmil](/molmil-images/mine/3uc8) | Trp-cage cyclo-TC1 - tetragonal crystal form | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, cyclo-TC1 | Authors: | Scian, M, Le Trong, I, Stenkamp, R.E, Andersen, N.H. | Deposit date: | 2011-10-26 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Crystal and NMR structures of a Trp-cage mini-protein benchmark for computational fold prediction. Proc.Natl.Acad.Sci.USA, 109, 2012
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3UCS
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3UUF
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![BU of 3uuf by Molmil](/molmil-images/mine/3uuf) | Crystal structure of mono- and diacylglycerol lipase from Malassezia globosa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LIP1, secretory lipase (Family 3), ... | Authors: | Xu, T, Xu, J, Hou, S, Liu, J. | Deposit date: | 2011-11-28 | Release date: | 2012-04-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of a mono- and diacylglycerol lipase from Malassezia globosa reveals a novel lid conformation and insights into the substrate specificity. J.Struct.Biol., 178, 2012
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3UFL
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![BU of 3ufl by Molmil](/molmil-images/mine/3ufl) | Discovery of Pyrrolidine-based b-Secretase Inhibitors: Lead Advancement through Conformational Design for Maintenance of Ligand Binding Efficiency | Descriptor: | (1R,4'S)-3,4-dihydro-2H-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone, Beta-secretase 1, GLYCEROL, ... | Authors: | Allison, T, Munshi, S, Soisson, S.M. | Deposit date: | 2011-11-01 | Release date: | 2012-01-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of pyrrolidine-based beta-secretase inhibitors: Lead advancement through conformational design for maintenance of ligand binding efficiency. Bioorg.Med.Chem.Lett., 22, 2012
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3UWT
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3UX3
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![BU of 3ux3 by Molmil](/molmil-images/mine/3ux3) | Crystal Structure of Domain-Swapped Fam96a minor dimer | Descriptor: | ACETATE ION, MIP18 family protein FAM96A, ZINC ION | Authors: | Chen, K.-E, Kobe, B, Martin, J.L. | Deposit date: | 2011-12-03 | Release date: | 2012-05-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The mammalian DUF59 protein Fam96a forms two distinct types of domain-swapped dimer. Acta Crystallogr.,Sect.D, 68, 2012
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3UGH
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![BU of 3ugh by Molmil](/molmil-images/mine/3ugh) | Crystal structure of a 6-SST/6-SFT from Pachysandra terminalis in complex with 6-kestose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ... | Authors: | Lammens, W, Rabijns, A, Van Laere, A, Strelkov, S.V, Van den Ende, W. | Deposit date: | 2011-11-02 | Release date: | 2011-11-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of 6-SST/6-SFT from Pachysandra terminalis, a plant fructan biosynthesizing enzyme in complex with its acceptor substrate 6-kestose. Plant J., 70, 2012
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3UDS
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![BU of 3uds by Molmil](/molmil-images/mine/3uds) | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with ADP. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Inositol-pentakisphosphate 2-kinase, MAGNESIUM ION | Authors: | Gosein, V, Leung, T.-F, Krajden, O, Miller, G.J. | Deposit date: | 2011-10-28 | Release date: | 2012-03-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Inositol phosphate-induced stabilization of inositol 1,3,4,5,6-pentakisphosphate 2-kinase and its role in substrate specificity. Protein Sci., 21, 2012
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3UIP
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![BU of 3uip by Molmil](/molmil-images/mine/3uip) | Complex between human RanGAP1-SUMO1, UBC9 and the IR1 domain from RanBP2 containing IR2 Motif II | Descriptor: | E3 SUMO-protein ligase RanBP2, Ran GTPase-activating protein 1, SUMO-conjugating enzyme UBC9, ... | Authors: | Gareau, J.R, Reverter, D, Lima, C.D. | Deposit date: | 2011-11-05 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.293 Å) | Cite: | Determinants of small ubiquitin-like modifier 1 (SUMO1) protein specificity, E3 ligase, and SUMO-RanGAP1 binding activities of nucleoporin RanBP2. J.Biol.Chem., 287, 2012
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3UGF
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![BU of 3ugf by Molmil](/molmil-images/mine/3ugf) | Crystal structure of a 6-SST/6-SFT from Pachysandra terminalis | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ... | Authors: | Lammens, W, Rabijns, A, Van Laere, A, Strelkov, S.V, Van den Ende, W. | Deposit date: | 2011-11-02 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of 6-SST/6-SFT from Pachysandra terminalis, a plant fructan biosynthesizing enzyme in complex with its acceptor substrate 6-kestose. Plant J., 70, 2012
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3UL4
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![BU of 3ul4 by Molmil](/molmil-images/mine/3ul4) | Crystal structure of Coh-OlpA(Cthe_3080)-Doc918(Cthe_0918) complex: A novel type I Cohesin-Dockerin complex from Clostridium thermocellum ATTC 27405 | Descriptor: | CALCIUM ION, Cellulosome enzyme, dockerin type I, ... | Authors: | Alves, V.D, Carvalho, A.L, Najmudin, S.H, Bras, J, Prates, J.A.M, Fontes, C.M.G.A. | Deposit date: | 2011-11-10 | Release date: | 2012-11-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Novel Clostridium thermocellum Type I Cohesin-Dockerin Complexes Reveal a Single Binding Mode. J.Biol.Chem., 287, 2012
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3UIX
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3UJE
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![BU of 3uje by Molmil](/molmil-images/mine/3uje) | Asymmetric complex of human neuron specific enolase-3-PGA/PEP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-PHOSPHOGLYCERIC ACID, Gamma-enolase, ... | Authors: | Qin, J, Chai, G, Brewer, J, Lovelace, L, Lebioda, L. | Deposit date: | 2011-11-07 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity. J.Inorg.Biochem., 111, 2012
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3UM9
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![BU of 3um9 by Molmil](/molmil-images/mine/3um9) | Crystal Structure of the Defluorinating L-2-Haloacid Dehalogenase Bpro0530 | Descriptor: | Haloacid dehalogenase, type II, NICKEL (II) ION, ... | Authors: | Chan, P.W.Y, Savchenko, A, Yakunin, A.F, Edwards, E.A, Pai, E.F. | Deposit date: | 2011-11-12 | Release date: | 2012-11-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structural adaptations of L-2-haloacid dehalogenases that enable hydrolytic defluorination To be Published
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3UMP
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![BU of 3ump by Molmil](/molmil-images/mine/3ump) | Crystal structure of the Phosphofructokinase-2 from Escherichia coli in complex with Cesium and ATP | Descriptor: | 6-phosphofructokinase isozyme 2, ADENOSINE-5'-TRIPHOSPHATE, CESIUM ION, ... | Authors: | Pereira, H.M, Caniuguir, A, Baez, M, Cabrera, R, Garratt, R.C, Babul, J. | Deposit date: | 2011-11-14 | Release date: | 2012-11-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.849 Å) | Cite: | A Ribokinase Family Conserved Monovalent Cation Binding Site Enhances the MgATP-induced Inhibition in E. coli Phosphofructokinase-2 Biophys.J., 105, 2013
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3UKH
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3V1M
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![BU of 3v1m by Molmil](/molmil-images/mine/3v1m) | Crystal Structure of the S112A/H265Q mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400, after exposure to its substrate HOPDA | Descriptor: | (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE, 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONATE ION | Authors: | Ghosh, S, Bolin, J.T. | Deposit date: | 2011-12-09 | Release date: | 2012-03-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Identification of an Acyl-Enzyme Intermediate in a meta-Cleavage Product Hydrolase Reveals the Versatility of the Catalytic Triad. J.Am.Chem.Soc., 134, 2012
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3V2M
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![BU of 3v2m by Molmil](/molmil-images/mine/3v2m) | Effect of Sucrose and Glycerol as Cryoprotectans, on the Inhibition of Human Carbonic Anhydrase II | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Aggarwal, M, McKenna, A. | Deposit date: | 2011-12-12 | Release date: | 2012-12-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.471 Å) | Cite: | Effect of Sucrose and Glycerol as Cryoprotectans, on the Inhibition of Human Carbonic Anhydrase II To be Published
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3UDJ
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![BU of 3udj by Molmil](/molmil-images/mine/3udj) | Crystal Structure of BACE with Compound 5 | Descriptor: | 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2013-06-19 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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3UJG
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![BU of 3ujg by Molmil](/molmil-images/mine/3ujg) | Crystal structure of SnRK2.6 in complex with HAB1 | Descriptor: | MAGNESIUM ION, Protein phosphatase 2C 16, SULFATE ION, ... | Authors: | Zhou, X.E, Soon, F.-F, Ng, L.-M, Kovach, A, Tan, M.H.E, Suino-Powell, K.M, He, Y, Xu, Y, Brunzelle, J.S, Li, J, Melcher, K, Xu, H.E. | Deposit date: | 2011-11-07 | Release date: | 2012-02-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular mimicry regulates ABA signaling by SnRK2 kinases and PP2C phosphatases. Science, 335, 2012
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3UDR
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![BU of 3udr by Molmil](/molmil-images/mine/3udr) | Crystal Structure of BACE with Compound 14 | Descriptor: | 1,2-ETHANEDIOL, 1-cyanocyclohexyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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3UKJ
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![BU of 3ukj by Molmil](/molmil-images/mine/3ukj) | Crystal structure of extracellular ligand-binding receptor from Rhodopseudomonas palustris HaA2 | Descriptor: | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, Extracellular ligand-binding receptor, GLYCEROL, ... | Authors: | Chang, C, Mack, J, Zerbs, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-11-09 | Release date: | 2011-11-23 | Last modified: | 2013-09-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and functional characterization of solute binding proteins for aromatic compounds derived from lignin: p-Coumaric acid and related aromatic acids. Proteins, 81, 2013
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3UKQ
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