7U0Z
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![BU of 7u0z by Molmil](/molmil-images/mine/7u0z) | High-resolution map of tau filament from progressive supranuclear palsy (PSP) case 1 | Descriptor: | Isoform Tau-E of Microtubule-associated protein tau | Authors: | FItzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-19 | Release date: | 2022-03-23 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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7TT0
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![BU of 7tt0 by Molmil](/molmil-images/mine/7tt0) | BamABCDE bound to substrate EspP class 2 | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Serine protease EspP chimera, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamC, ... | Authors: | Doyle, M.T, Jimah, J.R, Dowdy, T, Ohlemacher, S.I, Larion, M, Hinshaw, J.E, Bernstein, H.D. | Deposit date: | 2022-01-31 | Release date: | 2022-03-30 | Last modified: | 2022-04-13 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Cryo-EM structures reveal multiple stages of bacterial outer membrane protein folding. Cell, 185, 2022
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4O4A
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![BU of 4o4a by Molmil](/molmil-images/mine/4o4a) | 2.75 Angstrom Crystal Structure of Putative Lipoprotein from Bacillus anthracis. | Descriptor: | DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, Lipoprotein, ... | Authors: | Minasov, G, Halavaty, A, Shuvalova, L, Winsor, J, Dubrovska, I, Shatsman, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-12-18 | Release date: | 2014-01-01 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | 2.75 Angstrom Crystal Structure of Putative Lipoprotein from Bacillus anthracis. TO BE PUBLISHED
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7TTC
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![BU of 7ttc by Molmil](/molmil-images/mine/7ttc) | BamABCDE bound to substrate EspP | Descriptor: | 2,3-dideoxy-6-O-[2-deoxy-4-O-phosphono-2-(tetradecanoylamino)-alpha-L-gulopyranosyl]-1-O-phosphono-beta-D-threo-hexopyranose, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | Authors: | Doyle, M.T, Jimah, J.R, Dowdy, T, Ohlemacher, S.I, Larion, M, Hinshaw, J.E, Bernstein, H.D. | Deposit date: | 2022-02-01 | Release date: | 2022-03-30 | Last modified: | 2022-04-13 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structures reveal multiple stages of bacterial outer membrane protein folding. Cell, 185, 2022
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7TSZ
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![BU of 7tsz by Molmil](/molmil-images/mine/7tsz) | BamABCDE bound to substrate EspP class 1 | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Serine protease EspP chimera, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | Authors: | Doyle, M.T, Jimah, J.R, Dowdy, T, Ohlemacher, S.I, Larion, M, Hinshaw, J.E, Bernstein, H.D. | Deposit date: | 2022-01-31 | Release date: | 2022-03-30 | Last modified: | 2022-04-13 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Cryo-EM structures reveal multiple stages of bacterial outer membrane protein folding. Cell, 185, 2022
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1KDM
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![BU of 1kdm by Molmil](/molmil-images/mine/1kdm) | THE CRYSTAL STRUCTURE OF THE HUMAN SEX HORMONE-BINDING GLOBULIN (TETRAGONAL CRYSTAL FORM) | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, CALCIUM ION, sex hormone-binding globulin | Authors: | Grishkovskaya, I, Avvakumov, G.V, Hammond, G.L, Muller, Y.A. | Deposit date: | 2001-11-13 | Release date: | 2002-05-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Resolution of a disordered region at the entrance of the human sex hormone-binding globulin steroid-binding site. J.Mol.Biol., 318, 2002
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4B21
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![BU of 4b21 by Molmil](/molmil-images/mine/4b21) | Unprecedented sculpting of DNA at abasic sites by DNA glycosylase homolog Mag2 | Descriptor: | 5'-D(*CP*GP*AP*TP*CP*GP*GP*TP*AP*GP)-3', 5'-D(*GP*CP*TP*AP*CP*3DRP*GP*AP*TP*CP*GP)-3', PHOSPHATE ION, ... | Authors: | Dalhus, B, Nilsen, L, Korvald, H, Huffman, J, Forstrom, R.J, McMurray, C.T, Alseth, I, Tainer, J.A, Bjoras, M. | Deposit date: | 2012-07-12 | Release date: | 2013-01-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Sculpting of DNA at Abasic Sites by DNA Glycosylase Homolog Mag2. Structure, 21, 2013
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7TT1
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![BU of 7tt1 by Molmil](/molmil-images/mine/7tt1) | BamABCDE bound to substrate EspP class 4 | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Serine protease EspP chimera, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | Authors: | Doyle, M.T, Jimah, J.R, Dowdy, T, Ohlemacher, S.I, Larion, M, Hinshaw, J.E, Bernstein, H.D. | Deposit date: | 2022-01-31 | Release date: | 2022-03-30 | Last modified: | 2022-04-13 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Cryo-EM structures reveal multiple stages of bacterial outer membrane protein folding. Cell, 185, 2022
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7TT5
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![BU of 7tt5 by Molmil](/molmil-images/mine/7tt5) | BamABCDE bound to substrate EspP in the open-sheet EspP state | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Serine protease EspP chimera, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamC, ... | Authors: | Doyle, M.T, Jimah, J.R, Dowdy, T, Ohlemacher, S.I, Larion, M, Hinshaw, J.E, Bernstein, H.D. | Deposit date: | 2022-01-31 | Release date: | 2022-03-30 | Last modified: | 2022-04-13 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Cryo-EM structures reveal multiple stages of bacterial outer membrane protein folding. Cell, 185, 2022
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4PLV
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![BU of 4plv by Molmil](/molmil-images/mine/4plv) | Crystal structure of ancestral apicomplexan malate dehydrogenase with lactate. | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, malate dehydrogenase | Authors: | Boucher, J.I, Jacobowitz, J.R, Beckett, B.C, Classen, S, Theobald, D.L. | Deposit date: | 2014-05-19 | Release date: | 2014-07-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | An atomic-resolution view of neofunctionalization in the evolution of apicomplexan lactate dehydrogenases. Elife, 3, 2014
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3ZSZ
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![BU of 3zsz by Molmil](/molmil-images/mine/3zsz) | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design | Descriptor: | (R)-[2-[[(2S)-BUTAN-2-YL]CARBAMOYL]PHENYL]METHYL-[(4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL]-METHYL-AZANIUM, ACETATE ION, CHLORIDE ION, ... | Authors: | Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J. | Deposit date: | 2011-07-01 | Release date: | 2012-07-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design. Plos One, 7, 2012
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1M07
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![BU of 1m07 by Molmil](/molmil-images/mine/1m07) | RESIDUES INVOLVED IN THE CATALYSIS AND BASE SPECIFICITY OF CYTOTOXIC RIBONUCLEASE FROM BULLFROG (RANA CATESBEIANA) | Descriptor: | 5'-D(*AP*CP*GP*A)-3', Ribonuclease | Authors: | Leu, Y.-J, Chern, S.-S, Wang, S.-C, Hsiao, Y.-Y, Amiraslanov, I, Liaw, Y.-C, Liao, Y.-D. | Deposit date: | 2002-06-12 | Release date: | 2003-01-21 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Residues involved in the catalysis, base specificity, and cytotoxicity of ribonuclease from Rana catesbeiana based upon mutagenesis and X-ray crystallography J.Biol.Chem., 278, 2003
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7TT2
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![BU of 7tt2 by Molmil](/molmil-images/mine/7tt2) | BamABCDE bound to substrate EspP class 3 | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Serine protease EspP chimera, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | Authors: | Doyle, M.T, Jimah, J.R, Dowdy, T, Ohlemacher, S.I, Larion, M, Hinshaw, J.E, Bernstein, H.D. | Deposit date: | 2022-01-31 | Release date: | 2022-03-30 | Last modified: | 2022-04-13 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-EM structures reveal multiple stages of bacterial outer membrane protein folding. Cell, 185, 2022
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7U1J
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![BU of 7u1j by Molmil](/molmil-images/mine/7u1j) | |
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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3UQZ
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![BU of 3uqz by Molmil](/molmil-images/mine/3uqz) | |
1JFV
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![BU of 1jfv by Molmil](/molmil-images/mine/1jfv) | X-Ray Structure of oxidised C10S, C15A arsenate reductase from pI258 | Descriptor: | PERCHLORATE ION, POTASSIUM ION, arsenate reductase | Authors: | Zegers, I, Martins, J.C, Willem, R, Wyns, L, Messens, J. | Deposit date: | 2001-06-22 | Release date: | 2001-10-03 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Arsenate reductase from S. aureus plasmid pI258 is a phosphatase drafted for redox duty. Nat.Struct.Biol., 8, 2001
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2J19
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![BU of 2j19 by Molmil](/molmil-images/mine/2j19) | Ferrous Chloroperoxidase (high dose data set) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ... | Authors: | Beitlich, T, Kuhnel, K, Schulze-Briese, C, Shoeman, R.L, Schlichting, I. | Deposit date: | 2006-08-09 | Release date: | 2006-12-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Cryoradiolytic Reduction of Crystalline Heme Proteins: Analysis by Uv-Vis Spectroscopy and X-Ray Crystallography J.Synchrotron Radiat., 14, 2007
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4PNQ
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![BU of 4pnq by Molmil](/molmil-images/mine/4pnq) | Crystal Structure of human Tankyrase 2 in complex with 5AIQ. | Descriptor: | 5-aminoisoquinolin-1(4H)-one, ISOPROPYL ALCOHOL, Tankyrase-2, ... | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-24 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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2J2F
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![BU of 2j2f by Molmil](/molmil-images/mine/2j2f) | The T199D Mutant of Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean) | Descriptor: | ACYL-[ACYL-CARRIER-PROTEIN] DESATURASE, FE (III) ION | Authors: | Guy, J.E, Abreu, I.A, Moche, M, Lindqvist, Y, Whittle, E, Shanklin, J. | Deposit date: | 2006-08-16 | Release date: | 2006-10-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | A Single Mutation in the Castor {Delta}9-18:0- Desaturase Changes Reaction Partitioning from Desaturation to Oxidase Chemistry. Proc.Natl.Acad.Sci.USA, 103, 2006
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2J5M
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![BU of 2j5m by Molmil](/molmil-images/mine/2j5m) | Structure of Chloroperoxidase Compound 0 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kuhnel, K, Derat, E, Terner, J, Shaik, S, Schlichting, I. | Deposit date: | 2006-09-18 | Release date: | 2006-12-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and Quantum Chemical Characterization of Chloroperoxidase Compound 0, a Common Reaction Intermediate of Diverse Heme Enzymes. Proc.Natl.Acad.Sci.USA, 104, 2007
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2DFP
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![BU of 2dfp by Molmil](/molmil-images/mine/2dfp) | X-RAY STRUCTURE OF AGED DI-ISOPROPYL-PHOSPHORO-FLUORIDATE (DFP) BOUND TO ACETYLCHOLINESTERASE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kryger, G, Millard, C.B, Silman, I, Sussman, J.L. | Deposit date: | 1998-12-07 | Release date: | 1999-06-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of aged phosphonylated acetylcholinesterase: nerve agent reaction products at the atomic level. Biochemistry, 38, 1999
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2DEO
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![BU of 2deo by Molmil](/molmil-images/mine/2deo) | |
3ZT1
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![BU of 3zt1 by Molmil](/molmil-images/mine/3zt1) | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design | Descriptor: | (4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL-[[2-[(4-METHOXYPHENYL)METHYLCARBAMOYL]PHENYL]METHYL]AZANIUM, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J. | Deposit date: | 2011-07-01 | Release date: | 2012-07-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design. Plos One, 7, 2012
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4PNM
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![BU of 4pnm by Molmil](/molmil-images/mine/4pnm) | Crystal Structure of human Tankyrase 2 in complex with Nu1025. | Descriptor: | 1,2-ETHANEDIOL, 8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-4-ONE, Tankyrase-2, ... | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-23 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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