6D85
 
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6D9M
 | | T4-Lysozyme fusion to Geobacter GGDEF | | Descriptor: | ACETATE ION, Fusion protein of Endolysin,Response receiver sensor diguanylate cyclase, GAF domain-containing, ... | | Authors: | Hallberg, Z, Doxzen, K, Kranzusch, P.J, Hammond, M. | | Deposit date: | 2018-04-30 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure and mechanism of a Hypr GGDEF enzyme that activates cGAMP signaling to control extracellular metal respiration.
Elife, 8, 2019
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6ZHN
 | | 3D electron diffraction structure of thaumatin from Thaumatococcus daniellii | | Descriptor: | CHLORIDE ION, Thaumatin-1 | | Authors: | Blum, T, Housset, D, Clabbers, M.T.B, van Genderen, E, Schoehn, G, Ling, W.L, Abrahams, J.P. | | Deposit date: | 2020-06-23 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.76 Å) | | Cite: | Statistically correcting dynamical electron scattering improves the refinement of protein nanocrystals, including charge refinement of coordinated metals.
Acta Crystallogr D Struct Biol, 77, 2021
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6FSJ
 | | Crystal structure of TCE-treated Lysozyme | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Lysozyme C | | Authors: | Pichlo, C, Baumann, U. | | Deposit date: | 2018-02-19 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Improved protein-crystal identification by using 2,2,2-trichloroethanol as a fluorescence enhancer.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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6ZGB
 | | glutamate transporter homologue Glttk in complex with a photo cage compound | | Descriptor: | (2~{S},3~{S})-2-azanyl-3-[(2-nitrophenyl)methoxy]butanedioic acid, DI(HYDROXYETHYL)ETHER, Proton/glutamate symporter, ... | | Authors: | Arkhipova, V, Slotboom, D.J, Guskov, A. | | Deposit date: | 2020-06-18 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural Aspects of Photopharmacology: Insight into the Binding of Photoswitchable and Photocaged Inhibitors to the Glutamate Transporter Homologue.
J.Am.Chem.Soc., 143, 2021
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8BPW
 | | Crystal structure of JAK2 JH1 in complex with lestaurtinib | | Descriptor: | Lestaurtinib, Tyrosine-protein kinase JAK2 | | Authors: | Miao, Y, Haikarainen, T. | | Deposit date: | 2022-11-18 | | Release date: | 2023-11-29 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity.
J.Med.Chem., 67, 2024
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8BTO
 | | Helical structure of BcThsA in complex with 1''-3'gcADPR | | Descriptor: | (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, NAD(+) hydrolase ThsA, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Tamulaitiene, G, Sasnauskas, G, Sabonis, D. | | Deposit date: | 2022-11-29 | | Release date: | 2024-02-21 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Activation of Thoeris antiviral system via SIR2 effector filament assembly.
Nature, 627, 2024
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6FVN
 | | DNA polymerase sliding clamp from Mycobacterium tuberculosis with bound P7 peptide | | Descriptor: | Beta sliding clamp, P7 peptide | | Authors: | Martiel, I, Andre, C, Olieric, V, Guichard, G, Burnouf, D. | | Deposit date: | 2018-03-04 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.142 Å) | | Cite: | Peptide Interactions on Bacterial Sliding Clamps.
Acs Infect Dis., 2019
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6D9Z
 | | Structure of CysZ, a sulfate permease from Pseudomonas Denitrificans | | Descriptor: | Sulfate transporter CysZ, octyl beta-D-glucopyranoside | | Authors: | Sanghai, Z.A, Clarke, O.B, Liu, Q, Banerjee, S, Rajashankar, K.R, Hendrickson, W.A, Mancia, F. | | Deposit date: | 2018-04-30 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.4021318 Å) | | Cite: | Structure-based analysis of CysZ-mediated cellular uptake of sulfate.
Elife, 7, 2018
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6GBR
 | | Crystal Structure of the oligomerization domain of VP35 from Reston virus, mercury derivative | | Descriptor: | MERCURIBENZOIC ACID, Polymerase cofactor VP35 | | Authors: | Zinzula, L, Nagy, I, Orsini, M, Weyher-Stingl, E, Baumeister, W, Bracher, A. | | Deposit date: | 2018-04-16 | | Release date: | 2018-10-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structures of Ebola and Reston Virus VP35 Oligomerization Domains and Comparative Biophysical Characterization in All Ebolavirus Species.
Structure, 27, 2019
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8B5T
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6FZP
 | | PPAR gamma complex. | | Descriptor: | (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha | | Authors: | Rochel, N, Beji, S. | | Deposit date: | 2018-03-15 | | Release date: | 2019-02-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
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2JSK
 | | Monomeric Human Telomere DNA Tetraplex with 3+1 Strand Fold Topology, Two Edgewise Loops and Double-Chain Reversal Loop, 16 G Form 1, NMR, 10 Structures | | Descriptor: | HUMAN TELOMERE DNA | | Authors: | Kuryavyi, V.V, Phan, A.T, Luu, K.N, Patel, D.J. | | Deposit date: | 2007-07-07 | | Release date: | 2008-07-08 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure of two intramolecular G-quadruplexes formed by natural human telomere sequences in K+ solution.
Nucleic Acids Res., 35, 2007
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8BFS
 | | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ326 | | Descriptor: | 1,2-ETHANEDIOL, 3~{H}-pyrrolo[2,3-c]isoquinolin-5-amine, Calcium/calmodulin-dependent protein kinase type 1D, ... | | Authors: | Kraemer, A, Zhu, W.F, Hernandez-Olmos, V, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-10-26 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ326
To Be Published
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6FY9
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6FYD
 | | The crystal structure of EncM T139V mutant | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Putative FAD-dependent oxygenase EncM | | Authors: | Saleem-Batcha, R, Teufel, R. | | Deposit date: | 2018-03-11 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Enzymatic control of dioxygen binding and functionalization of the flavin cofactor.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5K8F
 | | Crystal structure of Acetyl-CoA Synthetase in complex with ATP and Acetyl-AMP from Cryptococcus neoformans H99 | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Acetyl-coenzyme A synthetase, ... | | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Delker, S.L, Potts, K.T, Lorimer, D.D, Edwards, T.E, Mutz, M.W. | | Deposit date: | 2016-05-30 | | Release date: | 2016-07-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of Acetyl-CoA Synthetase in complex with ATP and Acetyl-AMP from Cryptococcus neoformans H99
To Be Published
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6FZ2
 | | Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and inhibitor bound | | Descriptor: | GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, MAGNESIUM ION, ... | | Authors: | Kersten, F.C, Brenk, R, Jaenicke, E. | | Deposit date: | 2018-03-13 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study UsingN-Myristoyltransferases as a Model System.
J.Med.Chem., 63, 2020
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6ZGM
 | | Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with the thiazolecarboxylate inhibitor ANT2681 | | Descriptor: | 5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | | Authors: | Docquier, J.D, Pozzi, C, Marcoccia, F, De Luca, F, Benvenuti, M, Mangani, S. | | Deposit date: | 2020-06-19 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | ANT2681: SAR Studies Leading to the Identification of a Metallo-beta-lactamase Inhibitor with Potential for Clinical Use in Combination with Meropenem for the Treatment of Infections Caused by NDM-ProducingEnterobacteriaceae.
Acs Infect Dis., 6, 2020
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6D81
 | | Structure of the Bovine p85a BH domain | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, SULFATE ION | | Authors: | Moore, S.A, Marshall, J.D, Anderson, D.H. | | Deposit date: | 2018-04-25 | | Release date: | 2018-05-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.248 Å) | | Cite: | Patient-derived mutations within the N-terminal domains of p85 alpha impact PTEN or Rab5 binding and regulation.
Sci Rep, 8, 2018
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8BFM
 | | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ331 | | Descriptor: | Calcium/calmodulin-dependent protein kinase type 1D, SULFATE ION, pyrazolo[5,1-a]phthalazin-6-amine | | Authors: | Kraemer, A, Zhu, W.F, Hernandez-Olmos, V, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-10-26 | | Release date: | 2022-11-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #2)
To Be Published
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6G7K
 | | Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 10 ps state structure | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ... | | Authors: | Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J. | | Deposit date: | 2018-04-06 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser.
Science, 361, 2018
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6ZJZ
 | | Discovery of M5049: a novel selective TLR7/8 inhibitor for treatment of autoimmunity | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[(3~{R},5~{S})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile, FORMIC ACID, ... | | Authors: | Musil, D, Lehman, M, Strauss, J. | | Deposit date: | 2020-06-29 | | Release date: | 2020-12-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.489 Å) | | Cite: | Discovery of M5049: A Novel Selective Toll-Like Receptor 7/8 Inhibitor for Treatment of Autoimmunity.
J.Pharmacol.Exp.Ther., 376, 2021
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8BCJ
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6QQE
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