5TMV
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![BU of 5tmv by Molmil](/molmil-images/mine/5tmv) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS analog, 4-iodophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | Descriptor: | 4-iodophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-10-13 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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5TN5
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![BU of 5tn5 by Molmil](/molmil-images/mine/5tn5) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the AC-ring estrogen, (1S,3aS,5S,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol | Descriptor: | (1S,3aS,5S,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-10-13 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.892 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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6VG3
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6URW
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![BU of 6urw by Molmil](/molmil-images/mine/6urw) | Crystal structure of ricin A chain in complex with inhibitor 4-(2-thienylmethyl)benzoic acid | Descriptor: | 1,2-ETHANEDIOL, 4-[(thiophen-2-yl)methyl]benzoic acid, DIMETHYL SULFOXIDE, ... | Authors: | Harijan, R.K, Li, X.P, Bonanno, J.B, Almo, S.C, Tumer, N.E, Schramm, V.L. | Deposit date: | 2019-10-24 | Release date: | 2020-06-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Small Molecule Inhibitors Targeting the Interaction of Ricin Toxin A Subunit with Ribosomes. Acs Infect Dis., 6, 2020
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2CEV
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![BU of 2cev by Molmil](/molmil-images/mine/2cev) | ARGINASE FROM BACILLUS CALDEVELOX, NATIVE STRUCTURE AT PH 8.5 | Descriptor: | GUANIDINE, MANGANESE (II) ION, PROTEIN (ARGINASE) | Authors: | Bewley, M.C, Jeffrey, P.D, Patchett, M.L, Kanyo, Z.F, Baker, E.N. | Deposit date: | 1999-03-10 | Release date: | 1999-04-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structures of Bacillus caldovelox arginase in complex with substrate and inhibitors reveal new insights into activation, inhibition and catalysis in the arginase superfamily. Structure Fold.Des., 7, 1999
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3D0B
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![BU of 3d0b by Molmil](/molmil-images/mine/3d0b) | Crystal Structure of Benzamide Tetrahydro-4H-carbazol-4-one bound to Hsp90 | Descriptor: | 2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9H-carbazol-9-yl)benzamide, Heat shock protein HSP 90-alpha | Authors: | Barta, T.E, Veal, J.M, Huang, K.H, Hall, S.H. | Deposit date: | 2008-05-01 | Release date: | 2008-06-17 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of benzamide tetrahydro-4H-carbazol-4-ones as novel small molecule inhibitors of Hsp90 BIOORG.MED.CHEM.LETT., 18, 2008
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6V5B
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![BU of 6v5b by Molmil](/molmil-images/mine/6v5b) | Human Drosha and DGCR8 in complex with Primary MicroRNA (MP/RNA complex) - Active state | Descriptor: | CALCIUM ION, Microprocessor complex subunit DGCR8, Pri-miR-16-2 (78-MER), ... | Authors: | Partin, A, Zhang, K, Jeong, B, Herrell, E, Li, S, Chiu, W, Nam, Y. | Deposit date: | 2019-12-04 | Release date: | 2020-04-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryo-EM Structures of Human Drosha and DGCR8 in Complex with Primary MicroRNA. Mol.Cell, 78, 2020
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2IL4
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![BU of 2il4 by Molmil](/molmil-images/mine/2il4) | Crystal structure of At1g77540-Coenzyme A Complex | Descriptor: | COENZYME A, Protein At1g77540 | Authors: | Bitto, E, Wesenberg, G.E, Phillips Jr, G.N, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2006-10-02 | Release date: | 2006-10-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.054 Å) | Cite: | Structure of Arabidopsis thaliana At1g77540 Protein, a Minimal Acetyltransferase from the COG2388 Family. Biochemistry, 45, 2006
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7AZE
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![BU of 7aze by Molmil](/molmil-images/mine/7aze) | DNA polymerase sliding clamp from Escherichia coli with peptide 18 bound | Descriptor: | Beta sliding clamp, GLYCEROL, MALONATE ION, ... | Authors: | Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y. | Deposit date: | 2020-11-16 | Release date: | 2021-12-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp. J.Med.Chem., 64, 2021
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8DE4
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6EXH
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![BU of 6exh by Molmil](/molmil-images/mine/6exh) | Crystal structure of the complex Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO5 with Fe(II)/succinate/(4R)-4-hydroxy-L-lysine | Descriptor: | 4-HYDROXY-LYSINE, FE (III) ION, GLYCEROL, ... | Authors: | Isabet, T, Stura, E, Legrand, P, Zaparucha, A, Bastard, K. | Deposit date: | 2017-11-08 | Release date: | 2018-11-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Studies based on two Lysine Dioxygenases with Distinct Regioselectivity Brings Insights Into Enzyme Specificity within the Clavaminate Synthase-Like Family. Sci Rep, 8, 2018
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8DHJ
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3DL7
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![BU of 3dl7 by Molmil](/molmil-images/mine/3dl7) | Aged Form of Mouse Acetylcholinesterase Inhibited by Tabun- Update | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, CHLORIDE ION, ... | Authors: | Carletti, E, Li, H, Li, B, Ekstrom, F, Nicolet, Y, Loiodice, M, Gillon, E, Froment, M.T, Lockridge, O, Schopfer, L.M, Masson, P, Nachon, F. | Deposit date: | 2008-06-26 | Release date: | 2008-12-02 | Last modified: | 2021-03-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation. J.Am.Chem.Soc., 130, 2008
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6EUO
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![BU of 6euo by Molmil](/molmil-images/mine/6euo) | Crystal structure of APO Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO5 | Descriptor: | D-MALATE, FE (III) ION, GLYCEROL, ... | Authors: | Isabet, T, Stura, E, Legrand, P, Zaparucha, A, Bastard, K. | Deposit date: | 2017-10-30 | Release date: | 2018-11-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Studies based on two Lysine Dioxygenases with Distinct Regioselectivity Brings Insights Into Enzyme Specificity within the Clavaminate Synthase-Like Family. Sci Rep, 8, 2018
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3LGE
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![BU of 3lge by Molmil](/molmil-images/mine/3lge) | Crystal structure of rabbit muscle aldolase-SNX9 LC4 complex | Descriptor: | Fructose-bisphosphate aldolase A, Sorting nexin-9 | Authors: | Rangarajan, E.S, Park, H, Fortin, E, Sygusch, J, Izard, T. | Deposit date: | 2010-01-20 | Release date: | 2010-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mechanism of aldolase control of sorting nexin 9 function in endocytosis. J.Biol.Chem., 285, 2010
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8D78
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8DDA
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![BU of 8dda by Molmil](/molmil-images/mine/8dda) | Crystal structure of human aminoadipate semialdehyde synthase (AASS), lysine ketoglutarate reductase (LKR) domain | Descriptor: | Alpha-aminoadipic semialdehyde synthase, mitochondrial, SULFATE ION | Authors: | Muniz, J.R.C, Kopec, J, Rembeza, E, Burgess-Brown, N, Bountra, C, Yue, W.W. | Deposit date: | 2022-06-17 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of human aminoadipate semialdehyde synthase (AASS), lysine ketoglutarate reductase (LKR) domain To Be Published
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6VD9
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6VBG
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![BU of 6vbg by Molmil](/molmil-images/mine/6vbg) | Lactose permease complex with thiodigalactoside and nanobody 9043 | Descriptor: | Galactoside permease, beta-D-galactopyranose-(1-1)-1-thio-beta-D-galactopyranose, nanobody 9043, ... | Authors: | Kumar, H, Stroud, R.M, Kaback, H.R, Finer-Moore, J, Smirnova, I, Kasho, V, Pardon, E, Steyart, J. | Deposit date: | 2019-12-18 | Release date: | 2020-11-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Diversity in kinetics correlated with structure in nano body-stabilized LacY. Plos One, 15, 2020
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5T47
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![BU of 5t47 by Molmil](/molmil-images/mine/5t47) | Crystal structure of the D. melanogaster eIF4E-eIF4G complex | Descriptor: | Eukaryotic translation initiation factor 4E, Eukaryotic translation initiation factor 4G, isoform A, ... | Authors: | Gruener, S, Peter, D, Weber, R, Wohlbold, L, Chung, M.-Y, Weichenrieder, O, Valkov, E, Igreja, C, Izaurralde, E. | Deposit date: | 2016-08-29 | Release date: | 2016-10-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Structures of eIF4E-eIF4G Complexes Reveal an Extended Interface to Regulate Translation Initiation. Mol.Cell, 64, 2016
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6VFD
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![BU of 6vfd by Molmil](/molmil-images/mine/6vfd) | Tryptophan synthase mutant Q114A in complex with cesium ion at the metal coordination site and 2-aminophenol quinonoid at the enzyme beta site | Descriptor: | (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid, 1,2-ETHANEDIOL, CESIUM ION, ... | Authors: | Hilario, E, Fan, L, Dunn, M.F, Mueller, L.J. | Deposit date: | 2020-01-03 | Release date: | 2020-08-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Tryptophan synthase mutant Q114A in complex with cesium ion at the metal coordination site and 2-aminophenol quinonoid at the enzyme beta site. To be Published
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8DE3
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8D79
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![BU of 8d79 by Molmil](/molmil-images/mine/8d79) | Crystal structure of a four-tetrad, parallel, and Na+ stabilized Tetrahymena thermophila telomeric G-quadruplex in complex with N-methyl mesoporphyrin IX | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*T)-3'), N-METHYLMESOPORPHYRIN, ... | Authors: | Chen, E.V, Beseiso, D, Yatsunyk, L.A. | Deposit date: | 2022-06-07 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Biophysical and structural characterization of telomeric G-quadruplexes from Tetrahymena thermophila in complex with N-Methyl Mesoporphyrin IX To Be Published
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7JSS
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6VGL
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![BU of 6vgl by Molmil](/molmil-images/mine/6vgl) | JAK2 JH1 in complex with ruxolitinib | Descriptor: | (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2 | Authors: | Davis, R.R, Schonbrunn, E. | Deposit date: | 2020-01-08 | Release date: | 2021-01-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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