5UKY
 
 | | DHp domain of PhoR of M. tuberculosis - native data | | Descriptor: | 1,2-ETHANEDIOL, ATP-binding protein, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wang, S. | | Deposit date: | 2017-01-23 | | Release date: | 2017-12-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Asymmetric Structure of the Dimerization Domain of PhoR, a Sensor Kinase Important for the Virulence of Mycobacterium tuberculosis.
ACS Omega, 2, 2017
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2C4W
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4E84
 | | Crystal Structure of Burkholderia cenocepacia HldA | | Descriptor: | 1,7-di-O-phosphono-D-glycero-beta-D-manno-heptopyranose, 7-O-phosphono-D-glycero-beta-D-manno-heptopyranose, CHLORIDE ION, ... | | Authors: | Lee, T.-W, Junop, M.S. | | Deposit date: | 2012-03-19 | | Release date: | 2012-12-26 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural-functional studies of Burkholderia cenocepacia D-glycero-beta-D-manno-heptose 7-phosphate kinase (HldA) and characterization of inhibitors with antibiotic adjuvant and antivirulence properties.
J.Med.Chem., 56, 2013
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2I20
 | | Bacteriorhodopsin/lipid complex, M state of D96A mutant | | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, Bacteriorhodopsin, ... | | Authors: | Lanyi, J.K, Schobert, B. | | Deposit date: | 2006-08-15 | | Release date: | 2006-10-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Propagating Structural Perturbation Inside Bacteriorhodopsin: Crystal Structures of the M State and the D96A and T46V Mutants.
Biochemistry, 45, 2006
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4NB7
 | | Crystal Structure of Two-Domain Laccase from Streptomyces LIvidans AC1709 in complex with azide after 180 min soaking | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, AZIDE ION, ... | | Authors: | Gabdulkhakov, A, Tischenko, S, Yurevich, L, Lisov, A, Leontievsky, A. | | Deposit date: | 2013-10-23 | | Release date: | 2014-10-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal Structure of Two-Domain Laccase from Streptomyces Lividans AC1709 in complex with azide after 180 min soaking
To be Published
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4DFM
 | | Crystal structure of the large fragment of DNA polymerase I from Thermus aquaticus in ternary complex with 5-(aminopentinyl)-2-dCTP | | Descriptor: | 1,2-ETHANEDIOL, 5'-d(AAAGCGCGCCGTGGTC)-3', 5'-d(GACCACGGCGC ddG)-3', ... | | Authors: | Bergen, K, Steck, A, Struett, S, Baccaro, A, Welte, W, Diederichs, K, Marx, A. | | Deposit date: | 2012-01-24 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.886 Å) | | Cite: | Structures of KlenTaq DNA Polymerase Caught While Incorporating C5-Modified Pyrimidine and C7-Modified 7-Deazapurine Nucleoside Triphosphates.
J.Am.Chem.Soc., 134, 2012
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5SVJ
 | | Crystal structure of the ATP-gated human P2X3 ion channel in the closed, apo state | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... | | Authors: | Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E. | | Deposit date: | 2016-08-06 | | Release date: | 2016-09-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.984 Å) | | Cite: | X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
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4DQL
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4R57
 | | Crystal structure of spermidine N-acetyltransferase from Vibrio cholerae in complex with acetyl-CoA | | Descriptor: | ACETYL COENZYME *A, DI(HYDROXYETHYL)ETHER, Spermidine n1-acetyltransferase, ... | | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Shuvalova, L, Kuhn, M.L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-08-20 | | Release date: | 2015-03-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.079 Å) | | Cite: | A Novel Polyamine Allosteric Site of SpeG from Vibrio cholerae Is Revealed by Its Dodecameric Structure.
J.Mol.Biol., 427, 2015
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4MUM
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4MUU
 | | Structure of ThiT with pyrithiamine bound | | Descriptor: | 1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-(2-HYDROXYETHYL)-2-METHYLPYRIDINIUM, 2-(2-METHOXYETHOXY)ETHANOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ... | | Authors: | Swier, L.J.Y.M, Guskov, A, Slotboom, D.J. | | Deposit date: | 2013-09-23 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural studies on the thiamin binding protein ThiT
To be Published
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4OI0
 | | bound to ssRNA dinucleotide GC, ADP, AlF4-, and Mg2+(transition state, data set I) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NONAETHYLENE GLYCOL, ... | | Authors: | Dikfidan, A, Loll, B, Zeymer, C, Clausen, T, Meinhart, A. | | Deposit date: | 2014-01-18 | | Release date: | 2014-05-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | RNA specificity and regulation of catalysis in the eukaryotic polynucleotide kinase clp1.
Mol.Cell, 54, 2014
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4OMC
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2IPI
 | | Crystal Structure of Aclacinomycin Oxidoreductase | | Descriptor: | Aclacinomycin oxidoreductase (AknOx), FLAVIN-ADENINE DINUCLEOTIDE, METHYL (2S,4R)-2-ETHYL-2,5,7-TRIHYDROXY-6,11-DIOXO-4-{[2,3,6-TRIDEOXY-4-O-{2,6-DIDEOXY-4-O-[(2S,6S)-6-METHYL-5-OXOTETRAHYDRO-2H-PYRAN-2-YL]-ALPHA-D-LYXO-HEXOPYRANOSYL}-3-(DIMETHYLAMINO)-D-RIBO-HEXOPYRANOSYL]OXY}-1,2,3,4,6,11-HEXAHYDROTETRACENE-1-CARBOXYLATE | | Authors: | Sultana, A, Kursula, I, Schneider, G, Alexeev, I, Niemi, J, Mantsala, P. | | Deposit date: | 2006-10-12 | | Release date: | 2007-01-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure determination by multiwavelength anomalous diffraction of aclacinomycin oxidoreductase: indications of multidomain pseudomerohedral twinning.
Acta Crystallogr.,Sect.D, 63, 2007
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4OP8
 | | Room temperature crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying G238S mutation | | Descriptor: | CALCIUM ION, SULFATE ION, TEM-94 ES-beta-lactamase, ... | | Authors: | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | | Deposit date: | 2014-02-05 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
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3SS8
 | | Crystal structure of NFeoB from S. thermophilus bound to GDP.AlF4- and K+ | | Descriptor: | Ferrous iron uptake transporter protein B, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ash, M.R, Maher, M.J, Guss, J.M, Jormakka, M. | | Deposit date: | 2011-07-08 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | The initiation of GTP hydrolysis by the G-domain of FeoB: insights from a transition-state complex structure
Plos One, 6, 2011
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4OPQ
 | | Room temperature crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S/G238S mutations | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | | Authors: | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | | Deposit date: | 2014-02-06 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
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4L77
 | | P450cin Active Site Water: Implications for Substrate Binding and Solvent Accessibility | | Descriptor: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, DI(HYDROXYETHYL)ETHER, P450cin, ... | | Authors: | Madrona, Y, Poulos, T.L. | | Deposit date: | 2013-06-13 | | Release date: | 2013-07-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.379 Å) | | Cite: | P450cin active site water: implications for substrate binding and solvent accessibility.
Biochemistry, 52, 2013
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4LHT
 | | Crystal Structure of P450cin Y81F mutant, crystallized in 3 mM 1,8-cineole | | Descriptor: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Madrona, Y, Poulos, T.L. | | Deposit date: | 2013-07-01 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.137 Å) | | Cite: | P450cin active site water: implications for substrate binding and solvent accessibility.
Biochemistry, 52, 2013
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4OUM
 | | Crystal structure of human Caprin-2 C1q domain | | Descriptor: | CITRATE ANION, Caprin-2, ISOPROPYL ALCOHOL, ... | | Authors: | Song, X, Li, L. | | Deposit date: | 2014-02-18 | | Release date: | 2014-10-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.491 Å) | | Cite: | Structural insights into the C1q domain of Caprin-2 in canonical Wnt signaling
J.Biol.Chem., 289, 2014
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1C8S
 | | BACTERIORHODOPSIN D96N LATE M STATE INTERMEDIATE | | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, BACTERIORHODOPSIN ("M" STATE INTERMEDIATE), ... | | Authors: | Luecke, H. | | Deposit date: | 1999-07-29 | | Release date: | 1999-10-20 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural changes in bacteriorhodopsin during ion transport at 2 angstrom resolution.
Science, 286, 1999
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7WGS
 | | Structure of ClpP from Staphylococcus aureus in complex with (S)-ZG197 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (6S,9aS)-6-[(2R)-butan-2-yl]-8-[(1S)-1-naphthalen-1-ylethyl]-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit | | Authors: | Yang, C.-G, Gan, J.H. | | Deposit date: | 2021-12-28 | | Release date: | 2022-11-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP.
Nat Commun, 13, 2022
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4DQD
 | | The crystal structure of a transporter in complex with 3-phenylpyruvic acid | | Descriptor: | 3-HYDROXYPYRUVIC ACID, 3-PHENYLPYRUVIC ACID, Extracellular ligand-binding receptor, ... | | Authors: | Tan, K, Mack, J.C, Zerbs, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-02-15 | | Release date: | 2012-02-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Structural and functional characterization of solute binding proteins for aromatic compounds derived from lignin: p-Coumaric acid and related aromatic acids.
Proteins, 81, 2013
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4OG5
 | | Human menin with bound inhibitor MIV-5 | | Descriptor: | 4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J. | | Deposit date: | 2014-01-15 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction.
J.Med.Chem., 57, 2014
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4DVB
 | | The crystal structure of the Fab fragment of pro-uPA antibody mAb-112 | | Descriptor: | Fab fragment of pro-uPA antibody mAb-112, SULFATE ION, TETRAETHYLENE GLYCOL | | Authors: | Jiang, L, Botkjaer, K.A, Andersen, L.M, Yuan, C, Andreasen, P.A, Huang, M. | | Deposit date: | 2012-02-23 | | Release date: | 2013-01-16 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Rezymogenation of active urokinase induced by an inhibitory antibody.
Biochem.J., 449, 2013
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