6E0L
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![BU of 6e0l by Molmil](/molmil-images/mine/6e0l) | Structure of Rhodothermus marinus CdnE c-UMP-AMP synthase with Apcpp and Upnpp | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ... | Authors: | Eaglesham, J.B, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Nieminen, E.A, King, D.S, Lee, A.S.Y, Mekalanos, J.J, Kranzusch, P.J. | Deposit date: | 2018-07-06 | Release date: | 2019-02-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Bacterial cGAS-like enzymes synthesize diverse nucleotide signals. Nature, 567, 2019
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2ZC2
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![BU of 2zc2 by Molmil](/molmil-images/mine/2zc2) | Crystal structure of DnaD-like replication protein from Streptococcus mutans UA159, gi 24377835, residues 127-199 | Descriptor: | DnaD-like replication protein, ZINC ION | Authors: | Duke, N.E.C, Clancy, S, Duggan, E, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-11-02 | Release date: | 2007-12-25 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of DnaD-like replication protein from Streptococcus mutans UA159. To be Published
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3QF0
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![BU of 3qf0 by Molmil](/molmil-images/mine/3qf0) | Crystal structure of the mutant T159V,Y206F of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | Deposit date: | 2011-01-20 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme. Biochemistry, 51, 2012
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5KZJ
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![BU of 5kzj by Molmil](/molmil-images/mine/5kzj) | Loop Deletion mutant of Paracoccus denitrificans AztC | Descriptor: | GLYCEROL, Periplasmic solute binding protein, ZINC ION | Authors: | Yukl, E. | Deposit date: | 2016-07-25 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mechanisms of zinc binding to the solute-binding protein AztC and transfer from the metallochaperone AztD. J. Biol. Chem., 292, 2017
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8RZJ
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![BU of 8rzj by Molmil](/molmil-images/mine/8rzj) | ZgGH129 from Zobellia galactanivorans in complex with the inhibitor ADG-IF (3,6-anhydro-D-galacto-isofagomine). | Descriptor: | (1~{R},5~{R},8~{S})-6-oxa-3-azabicyclo[3.2.1]octan-8-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Roret, T, Czjzek, M, Ficko-Blean, E. | Deposit date: | 2024-02-12 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Constrained Catalytic Itinerary of a Retaining 3,6-Anhydro-D-Galactosidase, a Key Enzyme in Red Algal Cell Wall Degradation. Angew.Chem.Int.Ed.Engl., 2024
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4FQO
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![BU of 4fqo by Molmil](/molmil-images/mine/4fqo) | Crystal Structure of Calcium-Loaded S100B Bound to SBi4211 | Descriptor: | 4,4'-[heptane-1,7-diylbis(oxy)]dibenzenecarboximidamide, CALCIUM ION, Protein S100-B | Authors: | McKnight, L.E, Raman, E.P, Bezawada, P, Kudrimoti, S, Wilder, P.T, Hartman, K.G, Toth, E.A, Coop, A, MacKerrell, A.D, Weber, D.J. | Deposit date: | 2012-06-25 | Release date: | 2012-10-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure-Based Discovery of a Novel Pentamidine-Related Inhibitor of the Calcium-Binding Protein S100B. ACS Med Chem Lett, 3, 2012
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4TX5
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![BU of 4tx5 by Molmil](/molmil-images/mine/4tx5) | Crystal structure of Smac-DIABLO (in space group P65) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Diablo homolog, ... | Authors: | Milani, M, Mastangelo, E, Cossu, F. | Deposit date: | 2014-07-02 | Release date: | 2015-07-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The activator of apoptosis Smac-DIABLO acts as a tetramer in solution. Biophys.J., 108, 2015
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8RZI
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![BU of 8rzi by Molmil](/molmil-images/mine/8rzi) | ZgGH129 from Zobellia galactanivorans soaked with 1,2-diF-ADG (3,6-Anhydro-2-deoxy-2-fluoro-a-D-galactopyranosyl fluoride) resulting in a trapped glycosyl-enzyme intermediate. | Descriptor: | (1~{R},4~{S},5~{S},8~{S})-4-fluoranyl-2,6-dioxabicyclo[3.2.1]octan-8-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Roret, T, Czjzek, M, Ficko-Blean, E. | Deposit date: | 2024-02-12 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Constrained Catalytic Itinerary of a Retaining 3,6-Anhydro-D-Galactosidase, a Key Enzyme in Red Algal Cell Wall Degradation. Angew.Chem.Int.Ed.Engl., 2024
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2ZE2
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![BU of 2ze2 by Molmil](/molmil-images/mine/2ze2) | Crystal structure of L100I/K103N mutant HIV-1 reverse transcriptase (RT) in complex with TMC278 (rilpivirine), a non-nucleoside RT inhibitor | Descriptor: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | Authors: | Das, K, Bauman, J.D, Clark Jr, A.D, Shatkin, A.J, Arnold, E. | Deposit date: | 2007-12-05 | Release date: | 2008-02-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations. Proc.Natl.Acad.Sci.Usa, 105, 2008
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2SCU
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![BU of 2scu by Molmil](/molmil-images/mine/2scu) | A detailed description of the structure of Succinyl-COA synthetase from Escherichia coli | Descriptor: | COENZYME A, PROTEIN (SUCCINYL-COA LIGASE), SULFATE ION | Authors: | Fraser, M.E, Wolodko, W.T, James, M.N.G, Bridger, W.A. | Deposit date: | 1998-09-24 | Release date: | 1999-08-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A detailed structural description of Escherichia coli succinyl-CoA synthetase. J.Mol.Biol., 285, 1999
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8RZG
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![BU of 8rzg by Molmil](/molmil-images/mine/8rzg) | ZgGH129 from Zobellia galactanivorans soaked with the product of the reaction ADG (3,6-anhydro-D-galactose). | Descriptor: | (1~{R},4~{S},5~{R},8~{S})-2,6-dioxabicyclo[3.2.1]octane-4,8-diol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Roret, T, Czjzek, M, Ficko-Blean, E. | Deposit date: | 2024-02-12 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Constrained Catalytic Itinerary of a Retaining 3,6-Anhydro-D-Galactosidase, a Key Enzyme in Red Algal Cell Wall Degradation. Angew.Chem.Int.Ed.Engl., 2024
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8QID
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![BU of 8qid by Molmil](/molmil-images/mine/8qid) | Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with fragment | Descriptor: | 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase | Authors: | Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L. | Deposit date: | 2023-09-12 | Release date: | 2024-07-24 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling. Angew.Chem.Int.Ed.Engl., 63, 2024
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43CA
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![BU of 43ca by Molmil](/molmil-images/mine/43ca) | |
4A5S
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![BU of 4a5s by Molmil](/molmil-images/mine/4a5s) | CRYSTAL STRUCTURE OF HUMAN DPP4 IN COMPLEX WITH A NOVAL HETEROCYCLIC DPP4 INHIBITOR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[(3S)-3-AMINOPIPERIDIN-1-YL]-5-BENZYL-4-OXO-3-(QUINOLIN-4-YLMETHYL)-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE, DIPEPTIDYL PEPTIDASE 4 SOLUBLE FORM, ... | Authors: | Ostermann, N, Kroemer, M, Zink, F, Gerhartz, B, Sutton, J.M, Clark, D.E, Dunsdon, S.J, Fenton, G, Fillmore, A, Harris, N.V, Higgs, C, Hurley, C.A, Krintel, S.L, MacKenzie, R.E, Duttaroy, A, Gangl, E, Maniara, W, Sedrani, R, Namoto, K, Sirockin, F, Trappe, J, Hassiepen, U, Baeschlin, D.K. | Deposit date: | 2011-10-28 | Release date: | 2012-02-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Novel Heterocyclic Dpp-4 Inhibitors for the Treatment of Type 2 Diabetes. Bioorg.Med.Chem.Lett., 22, 2012
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8QIY
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![BU of 8qiy by Molmil](/molmil-images/mine/8qiy) | Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor | Descriptor: | 1-(2-aminophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase | Authors: | Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L. | Deposit date: | 2023-09-12 | Release date: | 2024-07-24 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.5149 Å) | Cite: | A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling. Angew.Chem.Int.Ed.Engl., 63, 2024
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5LBK
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![BU of 5lbk by Molmil](/molmil-images/mine/5lbk) | |
5HTE
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![BU of 5hte by Molmil](/molmil-images/mine/5hte) | Recombinant bovine beta-lactoglobulin variant L1A/I2S (sBlgB#2) | Descriptor: | Beta-lactoglobulin | Authors: | Loch, J.I, Bonarek, P, Tworzydlo, M, Polit, A, Hawro, B, Lach, A, Ludwin, E, Lewinski, K. | Deposit date: | 2016-01-26 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Engineered beta-Lactoglobulin Produced in E. coli: Purification, Biophysical and Structural Characterisation. Mol Biotechnol., 58, 2016
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6E28
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![BU of 6e28 by Molmil](/molmil-images/mine/6e28) | The CARD9 CARD domain-swapped dimer | Descriptor: | Caspase recruitment domain-containing protein 9 | Authors: | Holliday, M.J, Ferrao, R, Boenig, G, Deuber, E.C, Fairbrother, W.J. | Deposit date: | 2018-07-10 | Release date: | 2018-09-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Picomolar zinc binding modulates formation of Bcl10-nucleating assemblies of the caspase recruitment domain (CARD) of CARD9. J. Biol. Chem., 293, 2018
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3QMR
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![BU of 3qmr by Molmil](/molmil-images/mine/3qmr) | Crystal structure of the mutant R160A,V182A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-phosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | Deposit date: | 2011-02-05 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.3213 Å) | Cite: | Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme. Biochemistry, 51, 2012
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8QJ8
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![BU of 8qj8 by Molmil](/molmil-images/mine/8qj8) | Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor | Descriptor: | 3-[3-(3-azanyl-2-cyano-phenyl)indol-1-yl]propanoic acid, Phosphopantetheine adenylyltransferase | Authors: | Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L. | Deposit date: | 2023-09-12 | Release date: | 2024-07-24 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.538 Å) | Cite: | A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling. Angew.Chem.Int.Ed.Engl., 63, 2024
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5KSO
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![BU of 5kso by Molmil](/molmil-images/mine/5kso) | hMiro1 C-domain GDP-Pi Complex P3121 Crystal Form | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Mitochondrial Rho GTPase 1, PHOSPHATE ION | Authors: | Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M. | Deposit date: | 2016-07-08 | Release date: | 2016-09-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural insights into Parkin substrate lysine targeting from minimal Miro substrates. Sci Rep, 6, 2016
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2BS1
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![BU of 2bs1 by Molmil](/molmil-images/mine/2bs1) | MS2 (N87AE89K mutant) - Qbeta RNA hairpin complex | Descriptor: | 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP *UP*AP*CP*CP*CP*AP*UP*GP*U)-3', MS2 COAT PROTEIN | Authors: | Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G. | Deposit date: | 2005-05-13 | Release date: | 2006-03-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis of RNA Binding Discrimination between Bacteriophages Qbeta and MS2. Structure, 14, 2006
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4FL4
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![BU of 4fl4 by Molmil](/molmil-images/mine/4fl4) | Scaffoldin conformation and dynamics revealed by a ternary complex from the Clostridium thermocellum cellulosome | Descriptor: | CALCIUM ION, Cellulosome anchoring protein cohesin region, Glycoside hydrolase family 9, ... | Authors: | Currie, M.A, Adams, J.J, Faucher, F, Bayer, E.A, Jia, Z, Smith, S.P, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | Deposit date: | 2012-06-14 | Release date: | 2012-06-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Scaffoldin Conformation and Dynamics Revealed by a Ternary Complex from the Clostridium thermocellum Cellulosome. J.Biol.Chem., 287, 2012
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6E9R
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![BU of 6e9r by Molmil](/molmil-images/mine/6e9r) | DHF46 filament | Descriptor: | DHF46 filament | Authors: | Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D. | Deposit date: | 2018-08-01 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (5.9 Å) | Cite: | De novo design of self-assembling helical protein filaments. Science, 362, 2018
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8U3Z
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![BU of 8u3z by Molmil](/molmil-images/mine/8u3z) | Model of TTLL6 bound to microtubule from composite map | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Mahalingan, K.K, Grotjahn, D, Li, Y, Lander, G.C, Zehr, E.A, Roll-Mecak, A. | Deposit date: | 2023-09-08 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis for alpha-tubulin-specific and modification state-dependent glutamylation. Nat.Chem.Biol., 2024
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