6BWC
 
 | | X-ray structure of Pen from Bacillus thuringiensis | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Polysaccharide biosynthesis protein CapD, SULFATE ION, ... | | Authors: | Delvaux, N.A, Thoden, J.B, Holden, H.M. | | Deposit date: | 2017-12-14 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular architectures of Pen and Pal: Key enzymes required for CMP-pseudaminic acid biosynthesis in Bacillus thuringiensis.
Protein Sci., 27, 2018
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8C3R
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5DU8
 | | Crystal structure of M. tuberculosis EchA6 bound to GSK572A | | Descriptor: | (5R,7S)-5-(4-ethylphenyl)-N-[(5-fluoropyridin-2-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6 | | Authors: | Cox, J.A.G, Besra, G.S, Futterer, K. | | Deposit date: | 2015-09-18 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
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4RUC
 | | Crystal structure of Y-family DNA polymerase Dpo4 extending from a MeFapy-dG:dC pair | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase IV, ... | | Authors: | Patra, A, Banerjee, S, Stone, M.P, Egli, M. | | Deposit date: | 2014-11-18 | | Release date: | 2015-08-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural Basis for Error-Free Bypass of the 5-N-Methylformamidopyrimidine-dG Lesion by Human DNA Polymerase eta and Sulfolobus solfataricus P2 Polymerase IV.
J.Am.Chem.Soc., 137, 2015
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5UMI
 | | Clostridium difficile TcdA-CROPs bound to PA50 Fab | | Descriptor: | PA50 Fab Heavy chain, PA50 Fab Light chain, Toxin A | | Authors: | Kroh, H.K, Chandrasekaran, R, Rosenthal, K, Woods, R, Jin, X, Ohi, M.D, Nyborg, A.C, Rainey, G.J, Warrener, P, Spiller, B.W, Lacy, D.B. | | Deposit date: | 2017-01-27 | | Release date: | 2017-07-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.23 Å) | | Cite: | Use of a neutralizing antibody helps identify structural features critical for binding of Clostridium difficile toxin TcdA to the host cell surface.
J. Biol. Chem., 292, 2017
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6SYJ
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5FGJ
 | | Structure of tetrameric rat phenylalanine hydroxylase, residues 1-453 | | Descriptor: | FE (III) ION, MAGNESIUM ION, Phenylalanine-4-hydroxylase | | Authors: | Taylor, A.B, Roberts, K.M, Fitzpatrick, P.F. | | Deposit date: | 2015-12-20 | | Release date: | 2016-05-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Domain Movements upon Activation of Phenylalanine Hydroxylase Characterized by Crystallography and Chromatography-Coupled Small-Angle X-ray Scattering.
J.Am.Chem.Soc., 138, 2016
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5UXC
 | | Crystal structure of macrolide 2'-phosphotransferase MphH from Brachybacterium faecium in complex with GDP | | Descriptor: | AZITHROMYCIN, CHLORIDE ION, GLYCEROL, ... | | Authors: | Stogios, P.J, Skarina, T, Wawrzak, Z, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-02-22 | | Release date: | 2017-08-16 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | The evolution of substrate discrimination in macrolide antibiotic resistance enzymes.
Nat Commun, 9, 2018
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6MR8
 | | D276G DNA polymerase beta substrate complex with templating adenine and incoming Fapy-dGTP analog | | Descriptor: | 1,2-ETHANEDIOL, 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol, CALCIUM ION, ... | | Authors: | Freudenthal, B.D, Smith, M.R, Wilson, S.H, Beard, W.A. | | Deposit date: | 2018-10-11 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.897 Å) | | Cite: | A guardian residue hinders insertion of a Fapy•dGTP analog by modulating the open-closed DNA polymerase transition.
Nucleic Acids Res., 47, 2019
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5DK2
 | | Fc Heterodimer E356K/D399K + K392D/K409D | | Descriptor: | Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | | Deposit date: | 2015-09-02 | | Release date: | 2016-03-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
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6SEK
 | | Crystal Structure of Ancestral Flavin-containing monooxygenase (FMO) 5 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Ancestral Flavin-containing monooxygenase 5, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Nicoll, C, Bailleul, G, Fiorentini, F, Mascotti, M.L, Fraaije, M, Mattevi, A. | | Deposit date: | 2019-07-30 | | Release date: | 2019-12-25 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Ancestral-sequence reconstruction unveils the structural basis of function in mammalian FMOs.
Nat.Struct.Mol.Biol., 27, 2020
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5UP7
 | | Crystal Structure of the Ni-bound Human Heavy-Chain Ferritin 122H-delta C-star variant | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Bailey, J.B, Zhang, L, Chiong, J.A, Ahn, S, Tezcan, F.A. | | Deposit date: | 2017-02-01 | | Release date: | 2017-06-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Synthetic Modularity of Protein-Metal-Organic Frameworks.
J. Am. Chem. Soc., 139, 2017
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6FQO
 | | Crystal structure of CREBBP bromodomain complexd with DT29 | | Descriptor: | 1,2-ETHANEDIOL, CREB-binding protein, ~{N}-[3-(2,5-dimethyl-3-oxidanylidene-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2018-02-14 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
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3MLI
 | | 2ouf-ds, a disulfide-linked dimer of Helicobacter pylori protein HP0242 | | Descriptor: | CALCIUM ION, Putative uncharacterized protein | | Authors: | King, N.P, Sawaya, M.R, Jacobitz, A.W, Yeates, T.O. | | Deposit date: | 2010-04-16 | | Release date: | 2010-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure and folding of a designed knotted protein.
Proc.Natl.Acad.Sci.USA, 107, 2010
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4Z39
 | | Structure of OBP3 from the vetch aphid Megoura viciae | | Descriptor: | GLYCEROL, Odorant-binding protein, SULFATE ION | | Authors: | Northey, T, Venthur, H, De Biasio, F, Chauviac, F.-X, Cole, A.R, Field, L.M, Zhou, J.-J, Keep, N.H. | | Deposit date: | 2015-03-31 | | Release date: | 2016-04-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal Structures and Binding Dynamics of Odorant-Binding Protein 3 from two aphid species Megoura viciae and Nasonovia ribisnigri.
Sci Rep, 6, 2016
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5FH8
 | | Crystal structure of the fifth bromodomain of human PB1 in complex with compound 28 | | Descriptor: | 1,2-ETHANEDIOL, 6-chloranyl-3-(2-ethylbutyl)-4~{H}-pyrrolo[1,2-a]quinazolin-5-one, DIMETHYL SULFOXIDE, ... | | Authors: | Tallant, C, Sutherell, C.L, Siejka, P, Sorrell, F.J, Krojer, T, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S. | | Deposit date: | 2015-12-21 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.
J.Med.Chem., 59, 2016
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4ZC0
 | | Structure of a dodecameric bacterial helicase | | Descriptor: | HEXATANTALUM DODECABROMIDE, Replicative DNA helicase | | Authors: | Bazin, A, Cherrier, M.V, Gutsche, I, Timmins, J, Terradot, L. | | Deposit date: | 2015-04-15 | | Release date: | 2015-10-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (6.7 Å) | | Cite: | Structure and primase-mediated activation of a bacterial dodecameric replicative helicase.
Nucleic Acids Res., 43, 2015
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4RY8
 | | Crystal structure of 5-methylthioribose transporter solute binding protein TLET_1677 from Thermotoga lettingae TMO TARGET EFI-511109 in complex with 5-methylthioribose | | Descriptor: | 5-S-methyl-5-thio-alpha-D-ribofuranose, Periplasmic binding protein | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siede, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-12-13 | | Release date: | 2014-12-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of 5-methylthioribose binding protein TLET_1677 from Thermotoga lettingae TARGET EFI-511109
To be Published
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6G6N
 | | Crystal structure of the computationally designed Tako8 protein in C2 | | Descriptor: | Tako8 | | Authors: | Noguchi, H, Addy, C, Simoncini, D, Van Meervelt, L, Schiex, T, Zhang, K.Y.J, Tame, J.R.H, Voet, A.R.D. | | Deposit date: | 2018-04-01 | | Release date: | 2018-11-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Computational design of symmetrical eight-bladed beta-propeller proteins.
IUCrJ, 6, 2019
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5V1I
 | | DNA polymerase beta ternary product complex with 8-oxoG:C and inserted dCTP | | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*GP*CP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(8OG)P*C)-3'), ... | | Authors: | Freudenthal, B.D, Smith, M.R, Whitaker, A.M, Schaich, M.A. | | Deposit date: | 2017-03-02 | | Release date: | 2017-05-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.035 Å) | | Cite: | Capturing a mammalian DNA polymerase extending from an oxidized nucleotide.
Nucleic Acids Res., 45, 2017
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4Z4U
 | | Crystal structure of GII.10 P domain in complex with 37.5mM fucose | | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, beta-L-fucopyranose | | Authors: | Koromyslova, A.D, Leuthold, M.M, Hansman, G.S. | | Deposit date: | 2015-04-02 | | Release date: | 2015-05-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | The sweet quartet: Binding of fucose to the norovirus capsid.
Virology, 483, 2015
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5F94
 | | Crystal structure of GSK3b in complex with Compound 15: 2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide | | Descriptor: | 2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide, Glycogen synthase kinase-3 beta | | Authors: | Lewis, H.A, Kish, K, Luo, G, Dubowchick, G.M. | | Deposit date: | 2015-12-09 | | Release date: | 2016-02-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Discovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors.
J.Med.Chem., 59, 2016
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5V1R
 | | DNA polymerase beta reactant complex with 8-oxoG:C at the primer terminus and incoming dCTP | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*GP*CP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | Authors: | Freudenthal, B.D, Smith, M.R, Whitaker, A.M, Schaich, M.A. | | Deposit date: | 2017-03-02 | | Release date: | 2017-05-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.077 Å) | | Cite: | Capturing a mammalian DNA polymerase extending from an oxidized nucleotide.
Nucleic Acids Res., 45, 2017
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4PLX
 | | Crystal structure of the triple-helical stability element at the 3' end of MALAT1 | | Descriptor: | Core ENE hairpin and A-rich tract from MALAT1 | | Authors: | Brown, J.A, Bulkley, D, Wang, J, Valenstein, M.L, Yario, T.A, Steitz, T.A, Steitz, J.A. | | Deposit date: | 2014-05-19 | | Release date: | 2014-06-25 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural insights into the stabilization of MALAT1 noncoding RNA by a bipartite triple helix.
Nat.Struct.Mol.Biol., 21, 2014
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4Z5Q
 | | Crystal structure of the LnmZ cytochrome P450 hydroxylase from the leinamycin biosynthetic pathway of Streptomyces atroolivaceus S-140 at 1.8 A resolution | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, Cytochrome P450 hydroxylase, ... | | Authors: | Ma, M, Lohman, J, Rudolf, J, Miller, M.D, Cao, H, Osipiuk, J, Joachimiak, A, Phillips Jr, G.N, Shen, B, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2015-04-02 | | Release date: | 2015-08-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Crystal structure of the LnmZ cytochrome P450 hydroxylase from the leinamycin biosynthetic pathway of Streptomyces atroolivaceus S-140
To be Published
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