2UVM
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![BU of 2uvm by Molmil](/molmil-images/mine/2uvm) | Structure of PKBalpha PH domain in complex with a novel inositol headgroup surrogate, benzene 1,2,3,4-tetrakisphosphate | Descriptor: | BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)], RAC-ALPHA SERINE/THREONINE-PROTEIN KINASE, SODIUM ION | Authors: | Komander, D, Mills, S.J, Trusselle, M.N, Safrany, S.T, van Aalten, D.M.F, Potter, B.V.L. | Deposit date: | 2007-03-12 | Release date: | 2007-04-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Novel Inositol Phospholipid Headgroup Surrogate Crystallised in the Pleckstrin Homology Domain of Protein Kinase Balpha. Acs Chem.Biol., 2, 2007
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2VFJ
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4E8U
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8QW7
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![BU of 8qw7 by Molmil](/molmil-images/mine/8qw7) | Crystal Structure of compound 4 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB | Descriptor: | (2S,4R)-1-[(2R)-2-[3-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Zollman, D, Farnaby, W, Ciulli, A. | Deposit date: | 2023-10-18 | Release date: | 2023-12-06 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Targeting cancer with small molecule pan-KRAS degraders Science, 2024
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8QW6
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![BU of 8qw6 by Molmil](/molmil-images/mine/8qw6) | Crystal Structure of compound 3 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB | Descriptor: | (2S,4R)-1-[(2S)-2-[6-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]hexanoylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Zollman, D, Farnaby, W, Ciulli, A. | Deposit date: | 2023-10-18 | Release date: | 2023-12-06 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Targeting cancer with small molecule pan-KRAS degraders Science, 2024
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7YYO
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![BU of 7yyo by Molmil](/molmil-images/mine/7yyo) | Cryo-EM structure of an a-carboxysome RuBisCO enzyme at 2.9 A resolution | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase large chain, ... | Authors: | Mann, D, Evans, S.L, Bergeron, J.R.C. | Deposit date: | 2022-02-18 | Release date: | 2023-01-25 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (2.87 Å) | Cite: | Single-particle cryo-EM analysis of the shell architecture and internal organization of an intact alpha-carboxysome. Structure, 31, 2023
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7YO3
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6NEF
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![BU of 6nef by Molmil](/molmil-images/mine/6nef) | Outer Membrane Cytochrome S Filament from Geobacter Sulfurreducens | Descriptor: | C-type cytochrome OmcS, HEME C, MAGNESIUM ION | Authors: | Filman, D.J, Marino, S.F, Ward, J.E, Yang, L, Mester, Z, Bullitt, E, Lovley, D.R, Strauss, M. | Deposit date: | 2018-12-17 | Release date: | 2019-07-03 | Last modified: | 2019-09-11 | Method: | ELECTRON MICROSCOPY (3.42 Å) | Cite: | Cryo-EM reveals the structural basis of long-range electron transport in a cytochrome-based bacterial nanowire. Commun Biol, 2, 2019
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5ETX
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![BU of 5etx by Molmil](/molmil-images/mine/5etx) | Crystal structure of HCV NS3/4A protease A156T variant in complex with 5172-Linear (MK-5172 linear analogue) | Descriptor: | CHLORIDE ION, NS3 protease, ZINC ION, ... | Authors: | Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Aydin, C, Schiffer, C.A. | Deposit date: | 2015-11-18 | Release date: | 2016-01-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172. Acs Chem.Biol., 11, 2016
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7U8D
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![BU of 7u8d by Molmil](/molmil-images/mine/7u8d) | FKBP12 mutant V55G bound to Rapa*-3Z | Descriptor: | (3S,5Z,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5-(ethoxyimino)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP1A | Authors: | Wassarman, D.R, Shokat, K.M. | Deposit date: | 2022-03-08 | Release date: | 2022-09-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Tissue-restricted inhibition of mTOR using chemical genetics. Proc.Natl.Acad.Sci.USA, 119, 2022
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8QZE
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![BU of 8qze by Molmil](/molmil-images/mine/8qze) | Heme-domain BM3 variant 21B3_F87V-A328F | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, IMIDAZOLE, ... | Authors: | Opperman, D.J, Ebrecht, A.C, Aschenbrenner, J.C. | Deposit date: | 2023-10-27 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Revisiting strategies and their combinatorial effect for introducing peroxygenase activity in CYP102A1 (P450BM3) Mol Catal, 557, 2024
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8QZF
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![BU of 8qzf by Molmil](/molmil-images/mine/8qzf) | Heme-domain BM3 mutant T268E | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Opperman, D.J, Ebrecht, A.C, Aschenbrenner, J.C. | Deposit date: | 2023-10-27 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Revisiting strategies and their combinatorial effect for introducing peroxygenase activity in CYP102A1 (P450BM3) Mol Catal, 557, 2024
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5OCS
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![BU of 5ocs by Molmil](/molmil-images/mine/5ocs) | Ene-reductase (ER/OYE) from Ralstonia (Cupriavidus) metallidurans | Descriptor: | ACETATE ION, CITRIC ACID, FLAVIN MONONUCLEOTIDE, ... | Authors: | Opperman, D.J. | Deposit date: | 2017-07-03 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural investigation into the C-terminal extension of the ene-reductase from Ralstonia (Cupriavidus) metallidurans. Proteins, 85, 2017
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8Q5J
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5OGT
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4GS4
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![BU of 4gs4 by Molmil](/molmil-images/mine/4gs4) | Structure of the alpha-tubulin acetyltransferase, alpha-TAT1 | Descriptor: | ACETYL COENZYME *A, Alpha-tubulin N-acetyltransferase | Authors: | Friedmann, D.R, Fan, J, Marmorstein, R. | Deposit date: | 2012-08-27 | Release date: | 2012-10-17 | Last modified: | 2013-08-28 | Method: | X-RAY DIFFRACTION (2.112 Å) | Cite: | Structure of the alpha-tubulin acetyltransferase, alpha TAT1, and implications for tubulin-specific acetylation. Proc.Natl.Acad.Sci.USA, 109, 2012
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7M1W
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6FKO
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![BU of 6fko by Molmil](/molmil-images/mine/6fko) | Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATP, dGMP, hadacidin at 2.1 Angstrom resolution | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Adenylosuccinate synthetase, ... | Authors: | Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A. | Deposit date: | 2018-01-24 | Release date: | 2019-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATP, dGMP, HAdacidin at 2.1 Angstrom resolution To Be Published
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6FM1
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![BU of 6fm1 by Molmil](/molmil-images/mine/6fm1) | Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATPanddGMP at 2.3 Angstrom resolution | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Adenylosuccinate synthetase, ... | Authors: | Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A. | Deposit date: | 2018-01-29 | Release date: | 2019-06-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | A third purine biosynthetic pathway encoded by aminoadenine-based viral DNA genomes. Science, 372, 2021
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6FM3
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![BU of 6fm3 by Molmil](/molmil-images/mine/6fm3) | Deoxyguanylosuccinate synthase (DgsS) structure with ADP at 1.9 Angstrom resolution | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Adenylosuccinate synthetase, CHLORIDE ION | Authors: | Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A. | Deposit date: | 2018-01-30 | Release date: | 2019-06-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATP0, dGMP, Magnesium at 2.3 Angstrom resolution To Be Published
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6FLF
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6FM0
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![BU of 6fm0 by Molmil](/molmil-images/mine/6fm0) | Deoxyguanylosuccinate synthase (DgsS) and ATP structure at 1.7 Angstrom resolution | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Adenylosuccinate synthetase | Authors: | Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A. | Deposit date: | 2018-01-29 | Release date: | 2019-06-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A third purine biosynthetic pathway encoded by aminoadenine-based viral DNA genomes. Science, 372, 2021
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4AGG
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![BU of 4agg by Molmil](/molmil-images/mine/4agg) | Structure of a tetrameric galectin from Cinachyrella sp. (Ball sponge) | Descriptor: | CHLORIDE ION, GALECTIN | Authors: | Freymann, D.M, Focia, P.J, Sakai, R, Swanson, G.T. | Deposit date: | 2012-01-27 | Release date: | 2012-08-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Structure of a Tetrameric Galectin from Cinachyrella Sp. (Ball Sponge). Acta Crystallogr.,Sect.D, 68, 2012
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4AGR
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![BU of 4agr by Molmil](/molmil-images/mine/4agr) | Structure of a tetrameric galectin from Cinachyrella sp. (Ball sponge) | Descriptor: | CHLORIDE ION, GALECTIN | Authors: | Freymann, D.M, Focia, P.J, Sakai, R, Swanson, G.T. | Deposit date: | 2012-01-31 | Release date: | 2012-08-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of a Tetrameric Galectin from Cinachyrella Sp. (Ball Sponge). Acta Crystallogr.,Sect.D, 68, 2012
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4AGV
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![BU of 4agv by Molmil](/molmil-images/mine/4agv) | Structure of a tetrameric galectin from Cinachyrella sp. (Ball sponge) | Descriptor: | GALECTIN | Authors: | Freymann, D.M, Focia, P.J, Sakai, R, Swanson, G.T. | Deposit date: | 2012-01-31 | Release date: | 2012-08-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure of a Tetrameric Galectin from Cinachyrella Sp. (Ball Sponge). Acta Crystallogr.,Sect.D, 68, 2012
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