2PHF
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![BU of 2phf by Molmil](/molmil-images/mine/2phf) | Pterocarpus angolensis lectin complexed with Man-6 | Descriptor: | CALCIUM ION, Lectin, MANGANESE (II) ION, ... | Authors: | Garcia-Pino, A, Buts, L, Wyns, L, Imberty, A, Loris, R. | Deposit date: | 2007-04-11 | Release date: | 2007-07-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | How a plant lectin recognizes high mannose oligosaccharides Plant Physiol., 144, 2007
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2PHX
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![BU of 2phx by Molmil](/molmil-images/mine/2phx) | Pterocarpus angolensis lectin (PAL) in complex with Man-5 | Descriptor: | CALCIUM ION, Lectin, MANGANESE (II) ION, ... | Authors: | Garcia-Pino, A, Buts, L, Wyns, L, Imberty, A, Loris, R. | Deposit date: | 2007-04-12 | Release date: | 2007-07-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | How a plant lectin recognizes high mannose oligosaccharides Plant Physiol., 144, 2007
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6GRZ
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![BU of 6grz by Molmil](/molmil-images/mine/6grz) | |
5GON
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![BU of 5gon by Molmil](/molmil-images/mine/5gon) | Structures of a beta-lactam bridged analogue in complex with tubulin | Descriptor: | (3R,4R)-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Zhou, L, Liu, Y, Cheng, L, Wang, Y. | Deposit date: | 2016-07-28 | Release date: | 2017-03-22 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Potent Antitumor Activities and Structure Basis of the Chiral beta-Lactam Bridged Analogue of Combretastatin A-4 Binding to Tubulin. J. Med. Chem., 59, 2016
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2PZH
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![BU of 2pzh by Molmil](/molmil-images/mine/2pzh) | YbgC thioesterase (Hp0496) from Helicobacter pylori | Descriptor: | Hypothetical protein HP_0496 | Authors: | Angelini, A, Cendron, L, Goncalves, S, Zanotti, G, Terradot, L. | Deposit date: | 2007-05-18 | Release date: | 2008-04-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and enzymatic characterization of HP0496, a YbgC thioesterase from Helicobacter pylori. Proteins, 72, 2008
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3G9V
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![BU of 3g9v by Molmil](/molmil-images/mine/3g9v) | Crystal structure of a soluble decoy receptor IL-22BP bound to interleukin-22 | Descriptor: | Interleukin 22 receptor, alpha 2, Interleukin-22 | Authors: | de Moura, P.R, Watanabe, L, Bleicher, L, Colau, D, Renauld, J.-C, Polikarpov, I. | Deposit date: | 2009-02-14 | Release date: | 2009-04-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.756 Å) | Cite: | Crystal structure of a soluble decoy receptor IL-22BP bound to interleukin-22 FEBS Lett., 583, 2009
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1USQ
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![BU of 1usq by Molmil](/molmil-images/mine/1usq) | Complex of E. Coli DraE adhesin with Chloramphenicol | Descriptor: | 1,2-ETHANEDIOL, CHLORAMPHENICOL, DR HEMAGGLUTININ STRUCTURAL SUBUNIT, ... | Authors: | Anderson, K.L, Billington, J, Pettigrew, D, Cota, E, Roversi, P, Simpson, P, Chen, H.A, Urvil, P, Dumerle, L, Barlow, P, Medof, E, Smith, R.A.G, Nowicki, B, Le Bouguenec, C, Lea, S.M, Matthews, S. | Deposit date: | 2003-11-27 | Release date: | 2004-08-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High Resolution Studies of the Afa/Dr Adhesin Drae and its Interaction with Chloramphenicol J.Biol.Chem., 279, 2004
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8PDE
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![BU of 8pde by Molmil](/molmil-images/mine/8pde) | Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC4 deacetylase binding motif | Descriptor: | DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*TP*T)-3'), HDAC4 (histone deacetylase 4) binding motif peptide:GSGEVKMKLQEFVLNKK, ... | Authors: | Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | Deposit date: | 2023-06-12 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA. J.Mol.Biol., 436, 2024
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4NZ0
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8P08
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![BU of 8p08 by Molmil](/molmil-images/mine/8p08) | Crystal structure of human CLK1 in complex with Leucettinib-21 | Descriptor: | (4~{Z})-4-(1,3-benzothiazol-6-ylmethylidene)-2-[[(2~{R})-1-methoxy-4-methyl-pentan-2-yl]amino]-1~{H}-imidazol-5-one, Dual specificity protein kinase CLK1 | Authors: | Kraemer, A, Schroeder, M, Meijer, L, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-05-09 | Release date: | 2023-05-17 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Chemical, Biochemical, Cellular, and Physiological Characterization of Leucettinib-21, a Down Syndrome and Alzheimer's Disease Drug Candidate. J.Med.Chem., 66, 2023
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2Q9M
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![BU of 2q9m by Molmil](/molmil-images/mine/2q9m) | 4-Substituted Trinems as Broad Spectrum-Lactamase Inhibitors: Structure-based Design, Synthesis and Biological Activity | Descriptor: | (1R,4S,7AS)-1-(1-FORMYLPROP-1-EN-1-YL)-4-METHOXY-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID, Beta-lactamase | Authors: | Plantan, I, Selic, L, Mesar, T, Stefanic Anderluh, P, Oblak, M, Prezelj, A, Hesse, L, Andrejasic, M, Vilar, M, Turk, D, Kocijan, A, Prevec, T, Vilfan, G, Kocjan, D, Copar, A, Urleb, U, Solmajer, T. | Deposit date: | 2007-06-13 | Release date: | 2007-08-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | 4-Substituted Trinems as Broad Spectrum beta-Lactamase Inhibitors: Structure-Based Design, Synthesis, and Biological Activity J.Med.Chem., 50, 2007
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1UT1
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![BU of 1ut1 by Molmil](/molmil-images/mine/1ut1) | DraE adhesin from Escherichia Coli | Descriptor: | 1,2-ETHANEDIOL, DR HEMAGGLUTININ STRUCTURAL SUBUNIT, SULFATE ION | Authors: | Anderson, K.L, Billington, J, Pettigrew, D, Cota, E, Roversi, P, Simpson, P, Chen, H.A, Urvil, P, Dumerle, L, Barlow, P, Medof, E, Smith, R.A.G, Nowicki, B, Le Bouguenec, C, Lea, S.M, Matthews, S. | Deposit date: | 2003-12-02 | Release date: | 2004-08-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | High Resolution Studies of the Afa/Dr Adhesin Drae and its Interaction with Chloramphenicol J.Biol.Chem., 279, 2004
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2WWP
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![BU of 2wwp by Molmil](/molmil-images/mine/2wwp) | Crystal structure of the human lipocalin-type prostaglandin D synthase | Descriptor: | CHLORIDE ION, PROSTAGLANDIN-H2 D-ISOMERASE, THIOCYANATE ION | Authors: | Roos, A.K, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotyenova, T, Kotzch, A, Kraulis, P, Markova, N, Moche, M, Nielsen, T.K, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2009-10-26 | Release date: | 2010-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Dynamic Insights Into Substrate Binding and Catalysis of Human Lipocalin Prostaglandin D Synthase. J.Lipid Res., 54, 2013
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4NN6
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![BU of 4nn6 by Molmil](/molmil-images/mine/4nn6) | Cytokine receptor complex - Crystal form 1B | Descriptor: | Cytokine receptor-like factor 2, Interleukin-7 receptor subunit alpha, Thymic stromal lymphopoietin | Authors: | Verstraete, K, van Schie, L, Savvides, S.N. | Deposit date: | 2013-11-16 | Release date: | 2014-03-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.545 Å) | Cite: | Structural basis of the proinflammatory signaling complex mediated by TSLP. Nat.Struct.Mol.Biol., 21, 2014
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1BMS
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3N9Q
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![BU of 3n9q by Molmil](/molmil-images/mine/3n9q) | ceKDM7A from C.elegans, complex with H3K4me3 peptide, H3K27me2 peptide and NOG | Descriptor: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | Authors: | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | Deposit date: | 2010-05-31 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans Cell Res., 20, 2010
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4NYZ
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![BU of 4nyz by Molmil](/molmil-images/mine/4nyz) | The EMCV 3Dpol structure with altered motif A conformation at 2.15A resolution | Descriptor: | GLUTAMINE, GLYCEROL, Genome polyprotein, ... | Authors: | Vives-adrian, L, Lujan, C, Ferrer-orta, C, Verdaguer, N. | Deposit date: | 2013-12-11 | Release date: | 2014-03-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The crystal structure of a cardiovirus RNA-dependent RNA polymerase reveals an unusual conformation of the polymerase active site J.Virol., 88, 2014
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4O0J
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![BU of 4o0j by Molmil](/molmil-images/mine/4o0j) | HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid | Descriptor: | (2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION | Authors: | Feng, L, Kvaratskhelia, M. | Deposit date: | 2013-12-13 | Release date: | 2014-07-02 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase. Plos Pathog., 10, 2014
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3N9N
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![BU of 3n9n by Molmil](/molmil-images/mine/3n9n) | ceKDM7A from C.elegans, complex with H3K4me3K9me2 peptide and NOG | Descriptor: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | Authors: | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | Deposit date: | 2010-05-31 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans Cell Res., 20, 2010
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1UT2
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![BU of 1ut2 by Molmil](/molmil-images/mine/1ut2) | AfaE-3 adhesin from Escherichia Coli | Descriptor: | AFIMBRIAL ADHESIN AFA-III, SULFATE ION | Authors: | Anderson, K.L, Billington, J, Pettigrew, D, Cota, E, Roversi, P, Simpson, P, Chen, H.A, Urvil, P, Dumerle, L, Barlow, P, Medof, E, Smith, R.A.G, Nowicki, B, Le Bouguenec, C, Lea, S.M, Matthews, S. | Deposit date: | 2003-12-02 | Release date: | 2004-08-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | High Resolution Studies of the Afa/Dr Adhesin Drae and its Interaction with Chloramphenicol J.Biol.Chem., 279, 2004
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6KF1
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![BU of 6kf1 by Molmil](/molmil-images/mine/6kf1) | Microbial Hormone-sensitive lipase- E53 mutant S162A | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HEXANOIC ACID, ... | Authors: | Xiaochen, Y, Zhengyang, L, Xuewei, X, Jixi, L. | Deposit date: | 2019-07-05 | Release date: | 2020-07-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Functional and Structural Insights into Environmental Adaptation of a Novel Hormone-sensitive Lipase, E53, Obtained from Erythrobacter longus To Be Published
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2QTI
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![BU of 2qti by Molmil](/molmil-images/mine/2qti) | Crystal structure of the UPF0352 protein SO_2176 from Shewanella oneidensis. NESG target SoR77. | Descriptor: | UPF0352 protein SO_2176 | Authors: | Vorobiev, S.M, Su, M, Seetharaman, J, Kuzin, A.P, Wang, D, Cunningham, K, Owens, L, Maglaqui, M, Fang, Y, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-08-02 | Release date: | 2007-08-21 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the UPF0352 protein SO_2176 from Shewanella oneidensis. To be Published
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4NN5
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![BU of 4nn5 by Molmil](/molmil-images/mine/4nn5) | Cytokine receptor complex - Crystal form 1A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Cytokine receptor-like factor 2, ... | Authors: | Verstraete, K, van Schie, L, Savvides, S.N. | Deposit date: | 2013-11-16 | Release date: | 2014-03-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Structural basis of the proinflammatory signaling complex mediated by TSLP. Nat.Struct.Mol.Biol., 21, 2014
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4NN7
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![BU of 4nn7 by Molmil](/molmil-images/mine/4nn7) | Cytokine receptor complex - Crystal form 2 | Descriptor: | Cytokine receptor-like factor 2, Interleukin-7 receptor subunit alpha, Thymic stromal lymphopoietin | Authors: | Verstraete, K, van Schie, L, Savvides, S.N. | Deposit date: | 2013-11-16 | Release date: | 2014-03-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.775 Å) | Cite: | Structural basis of the proinflammatory signaling complex mediated by TSLP. Nat.Struct.Mol.Biol., 21, 2014
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2PZY
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![BU of 2pzy by Molmil](/molmil-images/mine/2pzy) | Structure of MK2 Complexed with Compound 76 | Descriptor: | (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE, MAP kinase-activated protein kinase 2, STAUROSPORINE | Authors: | White, A, Wu, J.P, Wang, J, Abeywardane, A, Andersen, D, Emmanuel, M, Gautschi, E, Goldberg, D.R, Kashem, M.A, Lukas, S, Mao, W, Martin, L, Morwick, T, Moss, N, Pargellis, C, Patel, U.R, Patnaude, L, Peet, G.W, Skow, D, Snow, R.J, Ward, Y, Werneburg, B. | Deposit date: | 2007-05-18 | Release date: | 2007-07-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The discovery of carboline analogs as potent MAPKAP-K2 inhibitors Bioorg.Med.Chem.Lett., 17, 2007
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