4PP6
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![BU of 4pp6 by Molmil](/molmil-images/mine/4pp6) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Resveratrol | Descriptor: | Estrogen receptor, Nuclear receptor coactivator 2, RESVERATROL | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Parent, A.A, Hughes, T.S, Pollock, J.A, Gjyshi, O, Cavett, V, Nowak, J, Garcia-Ordonez, R.D, Houtman, R, Griffin, P.R, Kojetin, D.J, Katzenellenbogen, J.A, Conkright, M.D, Nettles, K.W. | Deposit date: | 2014-02-26 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Resveratrol modulates the inflammatory response via an estrogen receptor-signal integration network. Elife, 3, 2014
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4PPP
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![BU of 4ppp by Molmil](/molmil-images/mine/4ppp) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Fluoro-Resveratrol | Descriptor: | 5-[(E)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Parent, A.A, Hughes, T.S, Pollock, J.A, Gjyshi, O, Cavett, V, Nowak, J, Garcia-Ordonez, R.D, Houtman, R, Griffin, P.R, Kojetin, D.J, Katzenellenbogen, J.A, Conkright, M.D, Nettles, K.W. | Deposit date: | 2014-02-27 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.686 Å) | Cite: | Resveratrol modulates the inflammatory response via an estrogen receptor-signal integration network. Elife, 3, 2014
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6EGA
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![BU of 6ega by Molmil](/molmil-images/mine/6ega) | IRAK4 in complex with a type II inhibitor | Descriptor: | 3-{2-[(cyclopropanecarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide, COBALT (II) ION, Interleukin-1 receptor-associated kinase 4, ... | Authors: | Wang, L, Wu, H. | Deposit date: | 2018-08-19 | Release date: | 2019-02-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.512 Å) | Cite: | Conformational flexibility and inhibitor binding to unphosphorylated interleukin-1 receptor-associated kinase 4 (IRAK4). J.Biol.Chem., 294, 2019
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5E70
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![BU of 5e70 by Molmil](/molmil-images/mine/5e70) | Crystal structure of Ecoli Branching Enzyme with gamma cyclodextrin | Descriptor: | 1,4-alpha-glucan branching enzyme GlgB, Cyclooctakis-(1-4)-(alpha-D-glucopyranose), GLYCEROL | Authors: | Feng, L, Nosrati, M, Geiger, J.H. | Deposit date: | 2015-10-11 | Release date: | 2015-12-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystal structures of Escherichia coli branching enzyme in complex with cyclodextrins. Acta Crystallogr D Struct Biol, 72, 2016
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5E6Z
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![BU of 5e6z by Molmil](/molmil-images/mine/5e6z) | Crystal structure of Ecoli Branching Enzyme with beta cyclodextrin | Descriptor: | 1,4-alpha-glucan branching enzyme GlgB, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), GLYCEROL | Authors: | Feng, L, Nosrati, M, Geiger, J.H. | Deposit date: | 2015-10-11 | Release date: | 2015-12-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.878 Å) | Cite: | Crystal structures of Escherichia coli branching enzyme in complex with cyclodextrins. Acta Crystallogr D Struct Biol, 72, 2016
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6EG9
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![BU of 6eg9 by Molmil](/molmil-images/mine/6eg9) | IRAK4 in complex with Ponatinib | Descriptor: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, COBALT (II) ION, Interleukin-1 receptor-associated kinase 4, ... | Authors: | Wang, L, Wu, H. | Deposit date: | 2018-08-19 | Release date: | 2019-02-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.414 Å) | Cite: | Conformational flexibility and inhibitor binding to unphosphorylated interleukin-1 receptor-associated kinase 4 (IRAK4). J.Biol.Chem., 294, 2019
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6EGE
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5E6Y
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![BU of 5e6y by Molmil](/molmil-images/mine/5e6y) | Crystal structure of E.Coli branching enzyme in complex with alpha cyclodextrin | Descriptor: | 1,4-alpha-glucan branching enzyme GlgB, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), GLYCEROL | Authors: | Feng, L, Nosrati, M, Geiger, J.H. | Deposit date: | 2015-10-11 | Release date: | 2015-12-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of Escherichia coli branching enzyme in complex with cyclodextrins. Acta Crystallogr D Struct Biol, 72, 2016
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5XDJ
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![BU of 5xdj by Molmil](/molmil-images/mine/5xdj) | Esculentin-1a(1-21)NH2 | Descriptor: | Esculentin-1A | Authors: | Ghosh, A, Bhunia, A. | Deposit date: | 2017-03-28 | Release date: | 2017-10-04 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Membrane perturbing activities and structural properties of the frog-skin derived peptide Esculentin-1a(1-21)NH2 and its Diastereomer Esc(1-21)-1c: Correlation with their antipseudomonal and cytotoxic activity Biochim. Biophys. Acta, 1859, 2017
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6EQO
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![BU of 6eqo by Molmil](/molmil-images/mine/6eqo) | Tri-functional propionyl-CoA synthase of Erythrobacter sp. NAP1 with bound NADP+ and phosphomethylphosphonic acid adenylate ester | Descriptor: | Acetyl-coenzyme A synthetase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | Authors: | Zarzycki, J, Bernhardsgruetter, I, Voegeli, B, Wagner, T, Engilberge, S, Girard, E, Shima, S, Erb, T.J. | Deposit date: | 2017-10-13 | Release date: | 2018-10-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The multicatalytic compartment of propionyl-CoA synthase sequesters a toxic metabolite. Nat. Chem. Biol., 14, 2018
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4LZA
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![BU of 4lza by Molmil](/molmil-images/mine/4lza) | Crystal structure of adenine phosphoribosyltransferase from Thermoanaerobacter pseudethanolicus ATCC 33223, NYSGRC Target 029700. | Descriptor: | Adenine phosphoribosyltransferase, CHLORIDE ION | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-07-31 | Release date: | 2013-08-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystal structure of adenine phosphoribosyltransferase from Thermoanaerobacter pseudethanolicus ATCC 33223, NYSGRC Target 029700. To be Published
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6F6R
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![BU of 6f6r by Molmil](/molmil-images/mine/6f6r) | Crystal structure of human Caspase-1 with N-{3-[1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl}-4-(quinoxalin-2-ylamino)-benzamide | Descriptor: | (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid, Caspase-1, SULFATE ION | Authors: | Fournier, J.F, Clary, L, Chambon, S, Dumais, L, Harris, C.S, Millois-Barbuis, C, Pierre, R, Talano, S, Thoreau, E, Aubert, J, Aurelly, M, Bouix-Peter, C, Brethon, A, Chantalat, L, Christin, O, Comino, C, El-Bazbouz, G, Ghilini, A.L, Isabet, T, Lardy, C, Luzy, A.P, Mathieu, C, Mebrouk, K, Orfila, D, Pascau, J, Reverse, K, Roche, D, Rodeschini, V, Hennequin, L.F. | Deposit date: | 2017-12-06 | Release date: | 2018-05-02 | Last modified: | 2018-05-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne. J. Med. Chem., 61, 2018
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1XMJ
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![BU of 1xmj by Molmil](/molmil-images/mine/1xmj) | Crystal structure of human deltaF508 human NBD1 domain with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Lewis, H.A, Zhao, X, Wang, C, Sauder, J.M, Rooney, I, Noland, B.W, Lorimer, D, Kearins, M.C, Conners, K, Condon, B, Maloney, P.C, Guggino, W.B, Hunt, J.F, Emtage, S, Structural GenomiX | Deposit date: | 2004-10-02 | Release date: | 2004-11-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Impact of the delta-F508 Mutation in First Nucleotide-binding Domain of Human Cystic Fibrosis Transmembrane Conductance Regulator on Domain Folding and Structure J.Biol.Chem., 280, 2005
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3E0F
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5JEL
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![BU of 5jel by Molmil](/molmil-images/mine/5jel) | Phosphorylated TRIF in complex with IRF-3 | Descriptor: | Interferon regulatory factor 3, Phosphorylated TRIF peptide | Authors: | Zhao, B, Li, P. | Deposit date: | 2016-04-18 | Release date: | 2016-06-15 | Last modified: | 2016-06-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for concerted recruitment and activation of IRF-3 by innate immune adaptor proteins. Proc.Natl.Acad.Sci.USA, 113, 2016
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5JEO
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![BU of 5jeo by Molmil](/molmil-images/mine/5jeo) | Phosphorylated Rotavirus NSP1 in complex with IRF-3 | Descriptor: | Interferon regulatory factor 3, PHOSPHATE ION, Rotavirus NSP1 peptide | Authors: | Zhao, B, Li, P. | Deposit date: | 2016-04-18 | Release date: | 2016-06-15 | Last modified: | 2016-06-29 | Method: | X-RAY DIFFRACTION (1.719 Å) | Cite: | Structural basis for concerted recruitment and activation of IRF-3 by innate immune adaptor proteins. Proc.Natl.Acad.Sci.USA, 113, 2016
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5JJ7
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![BU of 5jj7 by Molmil](/molmil-images/mine/5jj7) | Fic-1 (aa134 - 508 E274G) from C. elegans | Descriptor: | Adenosine monophosphate-protein transferase FICD homolog, SULFATE ION | Authors: | Cruz, V.E, Schwartz, T.U. | Deposit date: | 2016-04-22 | Release date: | 2016-06-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.749 Å) | Cite: | Fic-1 (aa134 - 508 E274G) from C. elegans To be published
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1XMI
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![BU of 1xmi by Molmil](/molmil-images/mine/1xmi) | Crystal structure of human F508A NBD1 domain with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Lewis, H.A, Zhao, X, Wang, C, Sauder, J.M, Rooney, I, Noland, B.W, Lorimer, D, Kearins, M.C, Conners, K, Condon, B, Maloney, P.C, Guggino, W.B, Hunt, J.F, Emtage, S, Structural GenomiX | Deposit date: | 2004-10-02 | Release date: | 2004-11-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Impact of the delta-F508 Mutation in First Nucleotide-binding Domain of Human Cystic Fibrosis Transmembrane Conductance Regulator on Domain Folding and Structure J.Biol.Chem., 280, 2005
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5H1B
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![BU of 5h1b by Molmil](/molmil-images/mine/5h1b) | Human RAD51 presynaptic complex | Descriptor: | DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA repair protein RAD51 homolog 1, MAGNESIUM ION, ... | Authors: | Xu, J, Zhao, L, Xu, Y, Zhao, W, Sung, P, Wang, H.W. | Deposit date: | 2016-10-08 | Release date: | 2016-12-21 | Last modified: | 2022-03-23 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Cryo-EM structures of human RAD51 recombinase filaments during catalysis of DNA-strand exchange Nat. Struct. Mol. Biol., 24, 2017
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5JEK
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![BU of 5jek by Molmil](/molmil-images/mine/5jek) | Phosphorylated MAVS in complex with IRF-3 | Descriptor: | Interferon regulatory factor 3, MAVS peptide | Authors: | Zhao, B, Li, P. | Deposit date: | 2016-04-18 | Release date: | 2016-06-15 | Last modified: | 2016-06-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for concerted recruitment and activation of IRF-3 by innate immune adaptor proteins. Proc.Natl.Acad.Sci.USA, 113, 2016
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5H1C
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![BU of 5h1c by Molmil](/molmil-images/mine/5h1c) | Human RAD51 post-synaptic complexes | Descriptor: | DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA repair protein RAD51 homolog 1, ... | Authors: | Xu, J, Zhao, L, Xu, Y, Zhao, W, Sung, P, Wang, H.W. | Deposit date: | 2016-10-08 | Release date: | 2016-12-21 | Last modified: | 2022-03-23 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Cryo-EM structures of human RAD51 recombinase filaments during catalysis of DNA-strand exchange Nat. Struct. Mol. Biol., 24, 2017
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6NZZ
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![BU of 6nzz by Molmil](/molmil-images/mine/6nzz) | LRRC8A-DCPIB in MSP1E3D1 nanodisc expanded state | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 4-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}butanoic acid, Volume-regulated anion channel subunit LRRC8A | Authors: | Kern, D.M, Hite, R.K, Brohawn, S.G. | Deposit date: | 2019-02-14 | Release date: | 2019-02-27 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | Cryo-EM structures of the DCPIB-inhibited volume-regulated anion channel LRRC8A in lipid nanodiscs. Elife, 8, 2019
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6O00
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6NZW
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![BU of 6nzw by Molmil](/molmil-images/mine/6nzw) | LRRC8A-DCPIB in MSP1E3D1 nanodisc constricted state | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 4-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}butanoic acid, Volume-regulated anion channel subunit LRRC8A | Authors: | Kern, D.M, Hite, R.K, Brohawn, S.G. | Deposit date: | 2019-02-14 | Release date: | 2019-02-27 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Cryo-EM structures of the DCPIB-inhibited volume-regulated anion channel LRRC8A in lipid nanodiscs. Elife, 8, 2019
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2HLD
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![BU of 2hld by Molmil](/molmil-images/mine/2hld) | Crystal structure of yeast mitochondrial F1-ATPase | Descriptor: | ATP synthase alpha chain, mitochondrial, ATP synthase beta chain, ... | Authors: | Kabaleeswaran, V, Puri, N, Walker, J.E, Leslie, A.G, Mueller, D.M. | Deposit date: | 2006-07-06 | Release date: | 2006-11-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Novel features of the rotary catalytic mechanism revealed in the structure of yeast F(1) ATPase. Embo J., 25, 2006
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