4R5G
 
 | | Crystal structure of the DnaK C-terminus with the inhibitor PET-16 | | Descriptor: | Chaperone protein DnaK, triphenyl(phenylethynyl)phosphonium | | Authors: | Leu, J.I, Zhang, P, Murphy, M.E, Marmorstein, R, George, D.L. | | Deposit date: | 2014-08-21 | | Release date: | 2014-09-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.4501 Å) | | Cite: | Structural Basis for the Inhibition of HSP70 and DnaK Chaperones by Small-Molecule Targeting of a C-Terminal Allosteric Pocket.
Acs Chem.Biol., 9, 2014
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4MFQ
 | | The crystal structure of acyltransferase in complex with CoA and 10C-Teicoplanin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose, COENZYME A, ... | | Authors: | Lyu, S.Y, Liu, Y.C, Chang, C.Y, Huang, C.J, Li, T.L. | | Deposit date: | 2013-08-28 | | Release date: | 2014-09-03 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Multiple complexes of long aliphatic N-acyltransferases lead to synthesis of 2,6-diacylated/2-acyl-substituted glycopeptide antibiotics, effectively killing vancomycin-resistant enterococcus
J.Am.Chem.Soc., 136, 2014
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4RGO
 | | Structure of Staphylococcal Enterotoxin B bound to the neutralizing antibody 14G8 | | Descriptor: | 14G8 heavy chain, 14G8 light chain, ACETATE ION, ... | | Authors: | Franklin, M.C, Dutta, K, Varshney, A.K, Goger, M.J, Fries, B.C. | | Deposit date: | 2014-09-30 | | Release date: | 2015-01-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mechanisms mediating enhanced neutralization efficacy of staphylococcal enterotoxin B by combinations of monoclonal antibodies.
J.Biol.Chem., 290, 2015
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4RGW
 | | Crystal Structure of a TAF1-TAF7 Complex in Human Transcription Factor IID | | Descriptor: | GLYCEROL, Transcription initiation factor TFIID subunit 1, Transcription initiation factor TFIID subunit 7 | | Authors: | Wang, H, Curran, E.C, Hinds, T.R, Wang, E.H, Zheng, N. | | Deposit date: | 2014-09-30 | | Release date: | 2014-12-03 | | Last modified: | 2014-12-17 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Crystal structure of a TAF1-TAF7 complex in human transcription factor IID reveals a promoter binding module.
Cell Res., 24, 2014
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4R1E
 | | Crystal Structure of MTIP from Plasmodium falciparum in complex with a peptide-fragment chimera | | Descriptor: | 5-{[(2-aminoethyl)sulfanyl]methyl}furan-2-carbaldehyde, Myosin A tail domain interacting protein, Myosin-A | | Authors: | Douse, C.H, Vrielink, N, Cota, E, Tate, E.W. | | Deposit date: | 2014-08-05 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Targeting a Dynamic Protein-Protein Interaction: Fragment Screening against the Malaria Myosin A Motor Complex.
Chemmedchem, 10, 2015
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3BB4
 | | Crystal structure of Toc33 from Arabidopsis thaliana in complex with Mg2+ and GMPPNP | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, T7I23.11 protein | | Authors: | Koenig, P, Sinning, I, Schleiff, E, Tews, I. | | Deposit date: | 2007-11-09 | | Release date: | 2008-04-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | The GTPase cycle of the chloroplast import receptors Toc33/Toc34: implications from monomeric and dimeric structures.
Structure, 16, 2008
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4RGM
 | | Structure of Staphylococcal Enterotoxin B bound to the neutralizing antibody 20B1 | | Descriptor: | 20B1 heavy chain, 20B1 light chain, Enterotoxin type B | | Authors: | Franklin, M.C, Dutta, K, Varshney, A.K, Goger, M.J, Fries, B.C. | | Deposit date: | 2014-09-30 | | Release date: | 2015-01-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.689 Å) | | Cite: | Mechanisms mediating enhanced neutralization efficacy of staphylococcal enterotoxin B by combinations of monoclonal antibodies.
J.Biol.Chem., 290, 2015
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4RGN
 | | Structure of Staphylococcal Enterotoxin B bound to two neutralizing antibodies, 14G8 and 6D3 | | Descriptor: | 14G8 heavy chain, 14G8 light chain, 6D3 heavy chain, ... | | Authors: | Franklin, M.C, Dutta, K, Varshney, A.K, Goger, M.J, Fries, B.C. | | Deposit date: | 2014-09-30 | | Release date: | 2015-01-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.698 Å) | | Cite: | Mechanisms mediating enhanced neutralization efficacy of staphylococcal enterotoxin B by combinations of monoclonal antibodies.
J.Biol.Chem., 290, 2015
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6TZ3
 | | Crystal Structure of Human Synaptotagmin 1 C2B without Ca2+ | | Descriptor: | SULFATE ION, Synaptotagmin-1 | | Authors: | Dominguez, M.J, Karmakar, S, Meyer, A.G, Sutton, R.B. | | Deposit date: | 2019-08-09 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Molecular Basis for Synaptotagmin-1-Associated Neurodevelopmental Disorder.
Neuron, 107, 2020
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4R5I
 | | Crystal structure of the DnaK C-terminus with the substrate peptide NRLLLTG | | Descriptor: | Chaperone protein DnaK, HSP70/DnaK Substrate Peptide: NRLLLTG, PHOSPHATE ION, ... | | Authors: | Leu, J.I, Zhang, P, Murphy, M.E, Marmorstein, R, George, D.L. | | Deposit date: | 2014-08-21 | | Release date: | 2014-09-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9702 Å) | | Cite: | Structural Basis for the Inhibition of HSP70 and DnaK Chaperones by Small-Molecule Targeting of a C-Terminal Allosteric Pocket.
Acs Chem.Biol., 9, 2014
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6U41
 | | 1.7 angstrom structure of a pathogenic human Syt 1 C2B (D304G) | | Descriptor: | SULFATE ION, Synaptotagmin-1 | | Authors: | Dominguez, M.J, Bradberry, M.M, Chapman, E.R, Sutton, R.B. | | Deposit date: | 2019-08-22 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular Basis for Synaptotagmin-1-Associated Neurodevelopmental Disorder.
Neuron, 107, 2020
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4J5I
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4JFQ
 | | A2 HLA complex with L8A heteroclitic variant of Melanoma peptide | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K, Baker, B.M. | | Deposit date: | 2013-02-28 | | Release date: | 2013-05-29 | | Last modified: | 2013-07-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | T-cell receptor specificity maintained by altered thermodynamics.
J.Biol.Chem., 288, 2013
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6U4U
 | | 1.3 A structure of a pathogenic human Syt 1 C2B (I368T) | | Descriptor: | SULFATE ION, Synaptotagmin-1 | | Authors: | Dominguez, M.J, Bradberry, M.M, Chapman, E.R, Sutton, R.B. | | Deposit date: | 2019-08-26 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Molecular Basis for Synaptotagmin-1-Associated Neurodevelopmental Disorder.
Neuron, 107, 2020
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4HBY
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolin ligand | | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-2-oxo-N-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide, Bromodomain-containing protein 4 | | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-09-28 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit.
J.Med.Chem., 55, 2012
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4OIC
 | | Crystal structrual of a soluble protein | | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Bet v I allergen-like, CHLORIDE ION, ... | | Authors: | He, Y, Hao, Q, Li, W, Yan, C, Yan, N, Yin, P. | | Deposit date: | 2014-01-19 | | Release date: | 2015-01-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Identification and characterization of ABA receptors in Oryza sativa
Plos One, 9, 2014
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6IIK
 | | USP14 catalytic domain with IU1 | | Descriptor: | 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14 | | Authors: | Mei, Z.Q, Wang, Y.W, He, W, Wang, F. | | Deposit date: | 2018-10-06 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
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4HBV
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolin ligand | | Descriptor: | 1,2-ETHANEDIOL, 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4 | | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-09-28 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit.
J.Med.Chem., 55, 2012
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6U77
 | | yGsy2p in complex with small molecule | | Descriptor: | 2-methoxy-4-(1-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-4-phenyl-1H-imidazol-5-yl)phenol, 6-O-phosphono-alpha-D-glucopyranose, Glycogen [starch] synthase isoform 2 | | Authors: | Tang, B, Hurley, T.D. | | Deposit date: | 2019-08-31 | | Release date: | 2020-03-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Discovery and Development of Small-Molecule Inhibitors of Glycogen Synthase.
J.Med.Chem., 63, 2020
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6T5J
 | | Structure of NUDT15 in complex with inhibitor TH1760 | | Descriptor: | 6-[4-(1~{H}-indol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Carter, M, Rehling, D, Desroses, M, Zhang, S.M, Hagenkort, A, Valerie, N.C.K, Helleday, T, Stenmark, P. | | Deposit date: | 2019-10-16 | | Release date: | 2020-07-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Development of a chemical probe against NUDT15.
Nat.Chem.Biol., 16, 2020
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6I0M
 | | Structure of human IMP dehydrogenase, isoform 2, bound to GDP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase 2, ... | | Authors: | Buey, R.M, Fernandez-Justel, D, Revuelta, J.L. | | Deposit date: | 2018-10-26 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.567 Å) | | Cite: | A Nucleotide-Dependent Conformational Switch Controls the Polymerization of Human IMP Dehydrogenases to Modulate their Catalytic Activity.
J. Mol. Biol., 431, 2019
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3B2G
 | | Leptolyngbya boryana Ferredoxin | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, Ferredoxin-1 | | Authors: | Kurisu, G, Hase, T. | | Deposit date: | 2011-08-01 | | Release date: | 2012-06-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | A new structural insight into differential interaction of cyanobacterial and plant ferredoxins with nitrite reductase as revealed by NMR and X-ray crystallographic studies
J.Biochem., 151, 2012
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4MUB
 | | Schistosoma mansoni (Blood Fluke) Sulfotransferase/Oxamniquine Complex | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase, {(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol | | Authors: | Valentim, C.L.L, Cioli, D, Chevalier, F.D, Cao, X, Taylor, A.B, Holloway, S.P, Pica-Mattoccia, L, Guidi, A, Basso, A, Tsai, I.J, Berriman, M, Carvalho-Queiroz, C, Almeida, M, Aguilar, H, Frantz, D.E, Hart, P.J, Anderson, T.J.C, LoVerde, P.T. | | Deposit date: | 2013-09-21 | | Release date: | 2013-12-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Genetic and molecular basis of drug resistance and species-specific drug action in schistosome parasites.
Science, 342, 2013
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4J5N
 | | Crystal Structure of a Deinococcus radiodurans PTE-like lactonase (drPLL) mutant Y28L/D71N/E101G/E179D/V235L/L270M | | Descriptor: | COBALT (II) ION, Phosphotriesterase, putative | | Authors: | Meier, M.M, Rajendran, C, Malisi, C, Fox, N.G, Xu, C, Schlee, S, Barondeau, D.P, Hocker, B, Sterner, R, Raushel, F.M. | | Deposit date: | 2013-02-08 | | Release date: | 2013-07-24 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Molecular engineering of organophosphate hydrolysis activity from a weak promiscuous lactonase template.
J.Am.Chem.Soc., 135, 2013
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6I9Q
 | | Structure of the mouse CD98 heavy chain ectodomain | | Descriptor: | 1,2-ETHANEDIOL, 4F2 cell-surface antigen heavy chain, CHLORIDE ION | | Authors: | Schiefner, A, Deuschle, F.-C, Skerra, A. | | Deposit date: | 2018-11-24 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural differences between the ectodomains of murine and human CD98hc.
Proteins, 87, 2019
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