4JH9
 
 | | Crystal Structure of FosB from Bacillus cereus with Maganese and Potential BSH-Fosfomycin Product | | Descriptor: | (2R)-2-azanyl-3-[(1R,2S)-2-oxidanyl-1-phosphono-propyl]sulfanyl-propanoic acid, MANGANESE (II) ION, Metallothiol transferase FosB | | Authors: | Thompson, M.K, Harp, J, Keithly, M.E, Jagessar, K, Cook, P.D, Armstrong, R.N. | | Deposit date: | 2013-03-04 | | Release date: | 2013-10-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural and Chemical Aspects of Resistance to the Antibiotic Fosfomycin Conferred by FosB from Bacillus cereus.
Biochemistry, 52, 2013
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4JHM
 | | Crystal structure of a putative mandelate racemase/muconate lactonizing enzyme from Pseudovibrio sp. | | Descriptor: | Mandelate racemase / muconate lactonizing enzyme, C-terminal domain protein | | Authors: | Hegde, R.P, Toro, R, Burley, S.K, Almo, S.C, Ramagopal, U.A, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-03-05 | | Release date: | 2013-05-01 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of a putative mandelate racemase/muconate lactonizing enzyme from Pseudovibrio sp.
To be published
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4JJ4
 | | Crystal structure of a catalytic mutant of Axe2 (Axe2-D191A), an acetylxylan esterase from Geobacillus stearothermophilus | | Descriptor: | Acetyl xylan esterase, CHLORIDE ION, GLYCEROL | | Authors: | Lansky, S, Alalouf, O, Solomon, V, Alhassid, A, Belrahli, H, Govada, L, Chayan, N.E, Shoham, Y, Shoham, G. | | Deposit date: | 2013-03-07 | | Release date: | 2014-03-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | To be published
To be Published
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4NPF
 | | High-resolution structure of two tandem B domains of staphylococcal protein A connected by the conserved linker | | Descriptor: | Immunoglobulin G-binding protein A | | Authors: | Deis, L.N, Pemble IV, C.W, Oas, T.G, Richardson, J.S, Richardson, D.C. | | Deposit date: | 2013-11-21 | | Release date: | 2014-10-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Multiscale conformational heterogeneity in staphylococcal protein a: possible determinant of functional plasticity.
Structure, 22, 2014
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4JF9
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3FXO
 | | Crystal Structure of Human Protein phosphatase 1A (PPM1A) Bound with Phosphate at 1 mM of Mn2+ | | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, Protein phosphatase 1A | | Authors: | Hu, T, Wang, L, Wang, K, Jiang, H, Shen, X. | | Deposit date: | 2009-01-21 | | Release date: | 2010-01-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for the Mn2+-dependent activation of human PPM1A
To be published
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3FW2
 | | C-terminal domain of putative thiol-disulfide oxidoreductase from Bacteroides thetaiotaomicron. | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, thiol-disulfide oxidoreductase | | Authors: | Osipiuk, J, Li, H, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-01-16 | | Release date: | 2009-01-27 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | X-ray crystal structure of C-terminal domain of putative thiol-disulfide oxidoreductase from Bacteroides thetaiotaomicron.
To be Published
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4JFK
 | | Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with (1S,6R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one | | Descriptor: | (1S,6R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F. | | Deposit date: | 2013-02-28 | | Release date: | 2013-08-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control.
J.Med.Chem., 56, 2013
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3FWJ
 | | Ferric camphor bound Cytochrome P450cam containing a selenocysteine as the 5th heme ligand, orthorombic crystal form | | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | | Authors: | Schlichting, I, von Koenig, K, Aldag, C, Hilvert, D. | | Deposit date: | 2009-01-18 | | Release date: | 2009-03-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Probing the role of the proximal heme ligand in cytochrome P450cam by recombinant incorporation of selenocysteine.
Proc.Natl.Acad.Sci.USA, 106, 2009
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3NTE
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4NCQ
 | | Crystal structure of NiSOD H1A mutant | | Descriptor: | Superoxide dismutase [Ni] | | Authors: | Guce, A.I, Garman, S.C. | | Deposit date: | 2013-10-24 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Nickel superoxide dismutase: structural and functional roles of His1 and its H-bonding network.
Biochemistry, 54, 2015
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4JG7
 | | Structure of RSK2 CTD bound to 3-(3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl)-2-cyanoacrylamide | | Descriptor: | (2R)-2-cyano-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide, Ribosomal protein S6 kinase alpha-3, SODIUM ION | | Authors: | Miller, R.M, Paavilainen, V.O, Krishnan, S, Serafimova, I.M, Taunton, J. | | Deposit date: | 2013-02-28 | | Release date: | 2013-04-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.0002 Å) | | Cite: | Electrophilic fragment-based design of reversible covalent kinase inhibitors.
J.Am.Chem.Soc., 135, 2013
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3FYK
 | | Crystal structure of a benzthiophene lead bound to MAPKAP Kinase-2 (MK-2) | | Descriptor: | (3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one, MAP kinase-activated protein kinase 2 | | Authors: | Kurumbail, R.G, Caspers, N. | | Deposit date: | 2009-01-22 | | Release date: | 2009-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Benzothiophene inhibitors of MK2. Part 2: improvements in kinase selectivity and cell potency.
Bioorg.Med.Chem.Lett., 19, 2009
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4NRX
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4JKE
 | | Open and closed forms of T1789P human PRP8 RNase H-like domain with bound Mg ion | | Descriptor: | MAGNESIUM ION, Pre-mRNA-processing-splicing factor 8 | | Authors: | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M. | | Deposit date: | 2013-03-09 | | Release date: | 2013-05-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation.
Nat.Struct.Mol.Biol., 20, 2013
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4JKO
 | | Crystal structure of a catalytic mutant of Axe2 (Axe2_S15A), an acetylxylan esterase from Geobacillus stearothermophilus | | Descriptor: | Acetyl xylan esterase, GLYCEROL, PHOSPHATE ION | | Authors: | Azulay, D, Lansky, S, Alalouf, O, Solomon, V, Alhassid, A, Belrahli, H, Govada, L, Chayan, N.E, Shoham, Y, Shoham, G. | | Deposit date: | 2013-03-11 | | Release date: | 2014-02-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A unique octameric structure of Axe2, an intracellular acetyl-xylooligosaccharide esterase from Geobacillus stearothermophilus.
Acta Crystallogr.,Sect.D, 70, 2014
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3GHE
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3O7V
 | | Crystal Structure of human Hiwi1 (V361M) PAZ domain (residues 277-399) in complex with 14-mer RNA (12-bp + 2-nt overhang) containing 2'-OCH3 at its 3'-end | | Descriptor: | Piwi-like protein 1, RNA (5'-R(*GP*CP*GP*AP*AP*UP*AP*UP*UP*CP*GP*CP*UP*(OMU))-3') | | Authors: | Tian, Y, Simanshu, D.K, Ma, J.-B, Patel, D.J. | | Deposit date: | 2010-08-01 | | Release date: | 2011-01-12 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inaugural Article: Structural basis for piRNA 2'-O-methylated 3'-end recognition by Piwi PAZ (Piwi/Argonaute/Zwille) domains.
Proc.Natl.Acad.Sci.USA, 108, 2011
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4NHX
 | | Crystal structure of human OGFOD1, 2-oxoglutarate and iron-dependent oxygenase domain containing 1, in complex with N-oxalylglycine (NOG) | | Descriptor: | 2-oxoglutarate and iron-dependent oxygenase domain-containing protein 1, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Horita, S, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2013-11-05 | | Release date: | 2014-11-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.105 Å) | | Cite: | Structure of the Ribosomal Oxygenase OGFOD1 Provides Insights into the Regio- and Stereoselectivity of Prolyl Hydroxylases.
Structure, 23, 2015
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4JN8
 | | Crystal structure of an enolase (putative galactarate dehydratase, target efi-500740) from agrobacterium radiobacter, bound sulfate, no metal ion, ordered active site | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, ENOLASE, ... | | Authors: | Vetting, M.W, Groninger-Poe, F, Bouvier, J.T, Wichelecki, D, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-03-14 | | Release date: | 2013-04-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of an enolase (putative galactarate dehydratase, target efi-500740) from agrobacterium radiobacter, bound sulfate, no metal ion, ordered active site
To be Published
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3O0J
 | | PDE4B In complex with ligand an2898 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzene-1,2-dicarbonitrile, MAGNESIUM ION, ... | | Authors: | Alley, M.R.K, Zhou, Y. | | Deposit date: | 2010-07-19 | | Release date: | 2011-08-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Boron-based phosphodiesterase inhibitors show novel binding of boron to PDE4 bimetal center.
Febs Lett., 586, 2012
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4JOB
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4JK0
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3G77
 | | Bacterial cytosine deaminase V152A/F316C/D317G mutant | | Descriptor: | Cytosine deaminase, FE (III) ION | | Authors: | Stoddard, B, Zhao, L. | | Deposit date: | 2009-02-09 | | Release date: | 2009-09-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Bacterial cytosine deaminase mutants created by molecular engineering show improved 5-fluorocytosine-mediated cell killing in vitro and in vivo.
Cancer Res., 69, 2009
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4JK8
 | | Open and closed forms of R1865A human PRP8 RNase H-like domain with bound Mg ion | | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M. | | Deposit date: | 2013-03-09 | | Release date: | 2013-05-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation.
Nat.Struct.Mol.Biol., 20, 2013
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