5VX0
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![BU of 5vx0 by Molmil](/molmil-images/mine/5vx0) | Bak in complex with Bim-h3Glg | Descriptor: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11, ... | Authors: | Brouwer, J.M, Lan, P, Lessene, G, Colman, P.M, Czabotar, P.E. | Deposit date: | 2017-05-23 | Release date: | 2017-11-15 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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2B5J
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![BU of 2b5j by Molmil](/molmil-images/mine/2b5j) | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with JANSSEN-R165481 | Descriptor: | (2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE, MANGANESE (II) ION, Reverse transcriptase P51 SUBUNIT, ... | Authors: | Himmel, D.H, Das, K, Clark Jr, A.D, Hughes, S.H, Benjahad, A, Oumouch, S, Guillemont, J, Coupa, S, Poncelet, A, Csoka, I, Meyer, C, Andries, K, Mguyen, C.H, Grierson, D.S, Arnold, E. | Deposit date: | 2005-09-28 | Release date: | 2005-12-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structures for HIV-1 Reverse Transcriptase in Complexes with Three Pyridinone Derivatives: A New Class of Non-Nucleoside Inhibitors Effective against a Broad Range of Drug-Resistant Strains. J.Med.Chem., 48, 2005
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6D3J
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![BU of 6d3j by Molmil](/molmil-images/mine/6d3j) | FT_T dioxygenase holoenzyme | Descriptor: | 2-OXOGLUTARIC ACID, COBALT (II) ION, FT_T dioxygenase | Authors: | Rydel, T.J, Halls, C.E. | Deposit date: | 2018-04-16 | Release date: | 2018-08-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops. Pest Manag. Sci., 75, 2019
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5UKG
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1T65
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![BU of 1t65 by Molmil](/molmil-images/mine/1t65) | Crystal structure of the androgen receptor ligand binding domain with DHT and a peptide derived form its physiological coactivator GRIP1 NR box 2 bound in a non-helical conformation | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Nuclear receptor coactivator 2 | Authors: | Estebanez-Perpina, E, Moore, J.M.R, Mar, E, Nguyen, P, Delgado-Rodrigues, E, Baxter, J.D, Webb, P, Fletterick, R.J, Guy, R.K. | Deposit date: | 2004-05-05 | Release date: | 2005-01-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | The Molecular Mechanisms of Coactivator Utilization in Ligand-dependent Transactivation by the Androgen Receptor. J.Biol.Chem., 280, 2005
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1IDF
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![BU of 1idf by Molmil](/molmil-images/mine/1idf) | ISOCITRATE DEHYDROGENASE K230M MUTANT APO ENZYME | Descriptor: | ISOCITRATE DEHYDROGENASE | Authors: | Bolduc, J.M, Dyer, D.H, Scott, W.G, Singer, P, Sweet, R.M, Koshland Junior, D.E, Stoddard, B.L. | Deposit date: | 1995-01-18 | Release date: | 1996-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase. Science, 268, 1995
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2N4P
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![BU of 2n4p by Molmil](/molmil-images/mine/2n4p) | Solution structure of the n-terminal domain of tdp-43 | Descriptor: | TAR DNA-binding protein 43 | Authors: | Mompean, M, Romano, V, Pantoja-Uceda, D, Stuani, C, Baralle, F, Buratti, E, Laurents, D.V. | Deposit date: | 2015-06-26 | Release date: | 2016-01-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The TDP-43 N-terminal domain structure at high resolution. Febs J., 283, 2016
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1TBL
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![BU of 1tbl by Molmil](/molmil-images/mine/1tbl) | H141N mutant of rat liver arginase I | Descriptor: | Arginase 1, MANGANESE (II) ION | Authors: | Cama, E, Cox, J.D, Ash, D.E, Christianson, D.W. | Deposit date: | 2004-05-20 | Release date: | 2005-08-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Probing the role of the hyper-reactive histidine residue of arginase. Arch.Biochem.Biophys., 444, 2005
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1T9P
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![BU of 1t9p by Molmil](/molmil-images/mine/1t9p) | Crystal Structure of V44A, G45P Cp Rubredoxin | Descriptor: | FE (III) ION, Rubredoxin | Authors: | Park, I.Y, Eidsness, M.K, Lin, I.J, Gebel, E.B, Youn, B, Harley, J.L, Machonkin, T.E, Frederick, R.O, Markley, J.L, Smith, E.T, Ichiye, T, Kang, C. | Deposit date: | 2004-05-18 | Release date: | 2004-10-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystallographic studies of V44 mutants of Clostridium pasteurianum rubredoxin: Effects of side-chain size on reduction potential. Proteins, 57, 2004
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3U8N
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![BU of 3u8n by Molmil](/molmil-images/mine/3u8n) | Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3950 (1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane) | Descriptor: | 1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, ... | Authors: | Rohde, L.A.H, Ahring, P.K, Jensen, M.L, Nielsen, E.O, Peters, D, Helgstrand, C, Krintel, C, Harpsoe, K, Gajhede, M, Kastrup, J.S, Balle, T. | Deposit date: | 2011-10-17 | Release date: | 2011-12-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Intersubunit bridge formation governs agonist efficacy at nicotinic acetylcholine alpha 4 beta 2 receptors: unique role of halogen bonding revealed. J.Biol.Chem., 287, 2012
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1J6V
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![BU of 1j6v by Molmil](/molmil-images/mine/1j6v) | CRYSTAL STRUCTURE OF D. RADIODURANS LUXS, C2 | Descriptor: | AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, ZINC ION | Authors: | Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G. | Deposit date: | 2001-05-14 | Release date: | 2001-06-08 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs. Structure, 9, 2001
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1IEL
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![BU of 1iel by Molmil](/molmil-images/mine/1iel) | Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Ceftazidime | Descriptor: | ACYLATED CEFTAZIDIME, PHOSPHATE ION, beta-lactamase | Authors: | Powers, R.A, Caselli, E, Focia, P.J, Prati, F, Shoichet, B.K. | Deposit date: | 2001-04-10 | Release date: | 2001-08-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of ceftazidime and its transition-state analogue in complex with AmpC beta-lactamase: implications for resistance mutations and inhibitor design. Biochemistry, 40, 2001
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6NEM
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5UN1
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![BU of 5un1 by Molmil](/molmil-images/mine/5un1) | Crystal structure of GluN1/GluN2B delta-ATD NMDA receptor | Descriptor: | (5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Song, X, Gouaux, E. | Deposit date: | 2017-01-30 | Release date: | 2018-02-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Mechanism of NMDA receptor channel block by MK-801 and memantine. Nature, 556, 2018
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5E4O
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![BU of 5e4o by Molmil](/molmil-images/mine/5e4o) | Human transthyretin (TTR) complexed with (Z)-((3,4-Dichloro-phenyl)-methyleneaminooxy)-acetic acid | Descriptor: | ({(Z)-[(3,4-dichlorophenyl)(phenyl)methylidene]amino}oxy)acetic acid, Transthyretin | Authors: | Ciccone, L, Savko, M, Nencetti, S, Rossello, A, Orlandini, E, Stura, E.A. | Deposit date: | 2015-10-06 | Release date: | 2016-03-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Synthesis and structural analysis of halogen substituted fibril formation inhibitors of Human Transthyretin (TTR). J Enzyme Inhib Med Chem, 31, 2016
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3HZR
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![BU of 3hzr by Molmil](/molmil-images/mine/3hzr) | |
3IRX
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![BU of 3irx by Molmil](/molmil-images/mine/3irx) | Crystal Structure of HIV-1 reverse transcriptase (RT) in complex with the Non-nucleoside RT Inhibitor (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate. | Descriptor: | (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methy lbenzothioate, Reverse transcriptase, Reverse transcriptase/ribonuclease H | Authors: | Ho, W.C, Arnold, E. | Deposit date: | 2009-08-24 | Release date: | 2010-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of HIV-1 reverse transcriptase (RT) in complex with the
alkenyldiarylmethane (ADAM) Non-nucleoside RT Inhibitor (E)-S-Methyl
5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate. J.Med.Chem., 52, 2009
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1K06
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![BU of 1k06 by Molmil](/molmil-images/mine/1k06) | Crystallographic Binding Study of 100 mM N-benzoyl-N'-beta-D-glucopyranosyl urea to glycogen phosphorylase b | Descriptor: | Glycogen Phosphorylase, N-[(phenylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine, PYRIDOXAL-5'-PHOSPHATE | Authors: | Oikonomakos, N.G, Kosmopoulou, M, Zographos, S.E, Leonidas, D.D, Chrysina, E.D, Somsak, L, Nagy, V, Praly, J.P, Docsa, T, Toth, B, Gergely, P. | Deposit date: | 2001-09-18 | Release date: | 2001-10-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Binding of N-acetyl-N '-beta-D-glucopyranosyl urea and N-benzoyl-N '-beta-D-glucopyranosyl urea to glycogen phosphorylase b: kinetic and crystallographic studies. Eur.J.Biochem., 269, 2002
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2MQU
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![BU of 2mqu by Molmil](/molmil-images/mine/2mqu) | Spatial structure of Hm-3, a membrane-active spider toxin affecting sodium channels | Descriptor: | Neurotoxin Hm-3 | Authors: | Myshkin, M.Y, Shenkarev, Z.O, Paramonov, A.S, Berkut, A.A, Grishin, E.V, Vassilevski, A.A. | Deposit date: | 2014-06-27 | Release date: | 2014-11-05 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structure of membrane-active toxin from crab spider Heriaeus melloteei suggests parallel evolution of sodium channel gating modifiers in Araneomorphae and Mygalomorphae. J. Biol. Chem., 290, 2015
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2NAZ
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![BU of 2naz by Molmil](/molmil-images/mine/2naz) | The solution NMR structure of the C-terminal effector domain of BfmR from Acinetobacter baumannii | Descriptor: | Transcriptional regulatory protein RstA | Authors: | Olson, A.L, Thompson, R.J, Cavanagh, J, Feldmann, E.A, Bobay, B.G. | Deposit date: | 2016-01-15 | Release date: | 2017-01-18 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The Structure of the Biofilm-controlling Response Regulator BfmR from Acinetobacter baumannii Reveals Details of Its DNA-binding Mechanism. J.Mol.Biol., 430, 2018
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2N99
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![BU of 2n99 by Molmil](/molmil-images/mine/2n99) | Solution structure of the SLURP-2, a secreted isoform of Lynx1 | Descriptor: | Ly-6/neurotoxin-like protein 1 | Authors: | Paramonov, A.S, Shenkarev, Z.O, Lyukmanova, E.N, Arseniev, A.S. | Deposit date: | 2015-11-11 | Release date: | 2016-09-21 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Secreted Isoform of Human Lynx1 (SLURP-2): Spatial Structure and Pharmacology of Interactions with Different Types of Acetylcholine Receptors. Sci Rep, 6, 2016
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2VA0
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![BU of 2va0 by Molmil](/molmil-images/mine/2va0) | Differential regulation of the xylan degrading apparatus of Cellvibrio japonicus by a novel two component system | Descriptor: | ABFS ARABINOFURANOSIDASE TWO COMPONENT SYSTEM SENSOR PROTEIN, CHLORIDE ION, PHOSPHATE ION | Authors: | Murray, J.W, Emami, K, Topakas, E, Nagy, T, Henshaw, J, Jackson, K.A, Nelson, K.E, Mongodin, E.F, Lewis, R.J, Gilbert, H.J. | Deposit date: | 2007-08-28 | Release date: | 2008-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.602 Å) | Cite: | Regulation of the Xylan-Degrading Apparatus of Cellvibrio Japonicus by a Novel Two-Component System. J.Biol.Chem., 284, 2009
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6NSW
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![BU of 6nsw by Molmil](/molmil-images/mine/6nsw) | X-ray reduced Catalase 3 From N.Crassa in Cpd I state (0.135 MGy) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Catalase-3, ... | Authors: | Zarate-Romero, A, Rudino-Pinera, E, Stojanoff, V. | Deposit date: | 2019-01-25 | Release date: | 2019-05-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | X-ray driven reduction of Cpd I of Catalase-3 from N. crassa reveals differential sensitivity of active sites and formation of ferrous state. Arch.Biochem.Biophys., 666, 2019
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2ZNM
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![BU of 2znm by Molmil](/molmil-images/mine/2znm) | Oxidoreductase NmDsbA3 from Neisseria meningitidis | Descriptor: | Thiol:disulfide interchange protein DsbA | Authors: | Vivian, J.P, Scoullar, J, Robertson, A.L, Bottomley, S.P, Horne, J, Chin, Y, Velkov, T, Wielens, J, Thompson, P.E, Piek, S, Byres, E, Beddoe, T, Wilce, M.C.J, Kahler, C, Rossjohn, J, Scanlon, M.J. | Deposit date: | 2008-04-30 | Release date: | 2008-08-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Biochemical Characterization of the Oxidoreductase NmDsbA3 from Neisseria meningitidis J.Biol.Chem., 283, 2008
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5VWW
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![BU of 5vww by Molmil](/molmil-images/mine/5vww) | Bak core latch dimer in complex with Bim-RT - Tetragonal | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BROMIDE ION, Bcl-2 homologous antagonist/killer, ... | Authors: | Brouwer, J.M, Colman, P.M, Czabotar, P.E. | Deposit date: | 2017-05-23 | Release date: | 2017-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.802 Å) | Cite: | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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