5MOC
 
 | | Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Andrei, S, Ottmann, C, Leysen, S. | | Deposit date: | 2016-12-14 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Small-molecule stabilization of the p53 - 14-3-3 protein-protein interaction.
FEBS Lett., 591, 2017
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2W5J
 | | Structure of the c14-rotor ring of the proton translocating chloroplast ATP synthase | | Descriptor: | ATP SYNTHASE C CHAIN, CHLOROPLASTIC | | Authors: | Vollmar, M, Schlieper, D, Winn, M, Buechner, C, Groth, G. | | Deposit date: | 2008-12-10 | | Release date: | 2009-05-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structure of the c14 rotor ring of the proton translocating chloroplast ATP synthase.
J. Biol. Chem., 284, 2009
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3ZM5
 | | CRYSTAL STRUCTURE OF MURF LIGASE IN COMPLEX WITH CYANOTHIOPHENE INHIBITOR | | Descriptor: | 2,4-bis(chloranyl)-N-[3-cyano-6-[(4-hydroxyphenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-5-morpholin-4-ylsulfonyl-benzamide, UDP-N-ACETYLMURAMOYL-TRIPEPTIDE--D-ALANYL-D-ALANINE LIGASE | | Authors: | Hrast, M, Turk, S, Sosic, I, Knez, D, Randall, C.P, Barreteau, H, Contreras-Martel, C, Dessen, A, ONeill, A.J, Mengin-Lecreulx, D, Blanot, D, Gobec, S. | | Deposit date: | 2013-02-05 | | Release date: | 2013-07-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Structure-Activity Relationships of New Cyanothiophene Inhibitors of the Essential Peptidoglycan Biosynthesis Enzyme Murf.
Eur.J.Med.Chem., 66C, 2013
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4ML7
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3ZM6
 | | CRYSTAL STRUCTURE OF MURF LIGASE IN COMPLEX WITH CYANOTHIOPHENE INHIBITOR | | Descriptor: | N-(6-(4-(2h-tetrazol-5-yl)benzyl)-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,4-dichloro-5-(morpholinosulfonyl)benzamide, UDP-N-ACETYLMURAMOYL-TRIPEPTIDE--D-ALANYL-D-ALANINE LIGASE | | Authors: | Hrast, M, Turk, S, Sosic, I, Knez, D, Randall, C.P, Barreteau, H, Contreras-Martel, C, Dessen, A, ONeill, A.J, Mengin-Lecreulx, D, Blanot, D, Gobec, S. | | Deposit date: | 2013-02-05 | | Release date: | 2013-07-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structure-Activity Relationships of New Cyanothiophene Inhibitors of the Essential Peptidoglycan Biosynthesis Enzyme Murf.
Eur.J.Med.Chem., 66C, 2013
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8B3X
 | | High resolution crystal structure of dimeric SUDV VP40 | | Descriptor: | Matrix protein VP40 | | Authors: | Werner, A.-D, Norris, M, Saphire, E.O, Becker, S. | | Deposit date: | 2022-09-17 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.531 Å) | | Cite: | The C-terminus of Sudan ebolavirus VP40 contains a functionally important CX n C motif, a target for redox modifications.
Structure, 31, 2023
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5F9E
 | | Structure of Protein Kinase C theta with compound 10: 2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one | | Descriptor: | 2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one, Protein kinase C theta type | | Authors: | Klein, M. | | Deposit date: | 2015-12-09 | | Release date: | 2016-05-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery and optimization of 1,7-disubstituted-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-ones as potent and selective PKC theta inhibitors.
Bioorg.Med.Chem., 24, 2016
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5FAV
 | | E491Q mutant of choline TMA-lyase | | Descriptor: | Choline trimethylamine-lyase, MALONATE ION, SODIUM ION | | Authors: | Funk, M.A, Drennan, C.L. | | Deposit date: | 2015-12-12 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular Basis of C-N Bond Cleavage by the Glycyl Radical Enzyme Choline Trimethylamine-Lyase.
Cell Chem Biol, 23, 2016
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5FD2
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2ISO
 | | Ternary complex of DNA Polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-difluoromethylene triphosphate | | Descriptor: | 2'-DEOXY-5'-O-[({[DIFLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL}OXY)(HYDROXY)PHOSPHORYL]GUANOSINE, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ... | | Authors: | Sucato, C.A, Upton, T.G, Kashemirov, B.A, Martinek, V, Xiang, Y, Beard, W.A. | | Deposit date: | 2006-10-18 | | Release date: | 2007-01-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Modifying the beta,gamma Leaving-Group Bridging Oxygen Alters Nucleotide Incorporation Efficiency, Fidelity, and the Catalytic Mechanism of DNA Polymerase beta.
Biochemistry, 46, 2007
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6YC7
 | | Structure of adenylylated C. glutamicum GlnK | | Descriptor: | ADENINE ARABINOSE-5'-PHOSPHATE, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Grau, F.C, Muller, Y.A. | | Deposit date: | 2020-03-18 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of adenylylated and unadenylylated P II protein GlnK from Corynebacterium glutamicum.
Acta Crystallogr D Struct Biol, 77, 2021
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5UEX
 | | BRD4_BD2_A-1497627 | | Descriptor: | 17-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}-11,13-difluoro-2-methyl-6,7,8,9-tetrahydrodibenzo[4,5:7,8][1,6]dioxacyclododecino[3,2-c]pyridin-3(2H)-one, Bromodomain-containing protein 4 | | Authors: | Park, C.H. | | Deposit date: | 2017-01-03 | | Release date: | 2017-05-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
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2W97
 | | Crystal Structure of eIF4E Bound to Glycerol and eIF4G1 peptide | | Descriptor: | EUKARYOTIC TRANSLATION INITIATION FACTOR 4 GAMMA 1, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E, GLYCEROL, ... | | Authors: | Brown, C.J, Verma, C.S, Walkinshaw, M.D, Lane, D.P. | | Deposit date: | 2009-01-22 | | Release date: | 2010-03-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Crystallization of eIF4E complexed with eIF4GI peptide and glycerol reveals distinct structural differences around the cap-binding site.
Cell Cycle, 8, 2009
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6J0I
 | | Structure of [Co2+-(Chromomycin A3)2]-d(TTGGCGAA)2 complex | | Descriptor: | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYROXY-7-METHYLANTHRACENE, 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate, 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol, ... | | Authors: | Satange, R.B, Chuang, C.Y, Hou, M.H. | | Deposit date: | 2018-12-24 | | Release date: | 2019-07-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Polymorphic G:G mismatches act as hotspots for inducing right-handed Z DNA by DNA intercalation.
Nucleic Acids Res., 47, 2019
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6Y1T
 | | The crystal structure of engineered cytochrome c peroxidase from Saccharomyces cerevisiae with a Trp51 to S-Trp51 modification | | Descriptor: | 1,2-ETHANEDIOL, Cytochrome c peroxidase, mitochondrial, ... | | Authors: | Ortmayer, M, Levy, C, Green, A.P. | | Deposit date: | 2020-02-13 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase.
Jacs Au, 1, 2021
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6Y2Y
 | | The crystal structure of engineered cytochrome c peroxidase from Saccharomyces cerevisiae with Trp51 to S-Trp51 and Trp191Phe modifications | | Descriptor: | 1,2-ETHANEDIOL, Cytochrome c peroxidase, mitochondrial, ... | | Authors: | Ortmayer, M, Levy, C, Green, A.P. | | Deposit date: | 2020-02-17 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase.
Jacs Au, 1, 2021
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5FAY
 | | Y208F mutant of choline TMA-lyase | | Descriptor: | CHOLINE ION, Choline trimethylamine-lyase, MALONATE ION, ... | | Authors: | Funk, M.A, Drennan, C.L. | | Deposit date: | 2015-12-12 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Molecular Basis of C-N Bond Cleavage by the Glycyl Radical Enzyme Choline Trimethylamine-Lyase.
Cell Chem Biol, 23, 2016
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5FAW
 | | T502A mutant of choline TMA-lyase | | Descriptor: | CHOLINE ION, Choline trimethylamine-lyase, MALONATE ION, ... | | Authors: | Funk, M.A, Drennan, C.L. | | Deposit date: | 2015-12-12 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.852 Å) | | Cite: | Molecular Basis of C-N Bond Cleavage by the Glycyl Radical Enzyme Choline Trimethylamine-Lyase.
Cell Chem Biol, 23, 2016
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2ISP
 | | Ternary complex of DNA Polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-methylene triphosphate | | Descriptor: | 2'-DEOXY-5'-O-(HYDROXY{[HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]OXY}PHOSPHORYL)GUANOSINE, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ... | | Authors: | Sucato, C.A, Upton, T.G, Kashemirov, B.A, Martinek, V, Xiang, Y, Beard, W.A. | | Deposit date: | 2006-10-18 | | Release date: | 2007-01-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Modifying the beta,gamma Leaving-Group Bridging Oxygen Alters Nucleotide Incorporation Efficiency, Fidelity, and the Catalytic Mechanism of DNA Polymerase beta.
Biochemistry, 46, 2007
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6TJ0
 | | Crystal structure of the bacterial cellulose secretion regulator BcsE, residues 217-523, with bound c-di-GMP. | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Bacterial cellulose synthesis subunit E, GLYCEROL | | Authors: | Zouhir, S, Abidi, W, Krasteva, P.V. | | Deposit date: | 2019-11-23 | | Release date: | 2020-07-29 | | Last modified: | 2020-08-26 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and Multitasking of the c-di-GMP-Sensing Cellulose Secretion Regulator BcsE.
Mbio, 11, 2020
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1U74
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2VXD
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5U08
 | | Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with sisomicin | | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, ACETATE ION, CALCIUM ION, ... | | Authors: | Xu, Z, Skarina, T, Wawrzak, Z, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-11-23 | | Release date: | 2017-02-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes.
ACS Infect Dis, 3, 2017
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5UG1
 | | Structure of Streptococcus pneumoniae peptidoglycan O-acetyltransferase A (OatA) C-terminal catalytic domain with methylsulfonyl adduct | | Descriptor: | Acyltransferase, SODIUM ION, methanesulfonic acid | | Authors: | Sychantha, D, Jones, C, Little, D.J, Moynihan, P.J, Robinson, H, Galley, N.F, Roper, D.I, Dowson, C.G, Howell, P.L, Clarke, A.J. | | Deposit date: | 2017-01-06 | | Release date: | 2017-10-25 | | Last modified: | 2017-12-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | In vitro characterization of the antivirulence target of Gram-positive pathogens, peptidoglycan O-acetyltransferase A (OatA).
PLoS Pathog., 13, 2017
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6STK
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