PDB: 30476 resultsInfo pagesStatus searchChemie searchBIRD

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6REH	Crystal structure of Pizza6-S with Cu2+ Descriptor: COPPER (II) ION, GLYCEROL, Pizza6-S, ... Authors: Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D. Deposit date: 2019-04-12 Release date: 2019-07-31 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.73 Å) Cite: Artificial beta-propeller protein-based hydrolases. Chem.Commun.(Camb.), 55, 2019
6REJ	Crystal structure of Pizza6-SH with Zn2+ Descriptor: Pizza6-SH, SULFATE ION, ZINC ION Authors: Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D. Deposit date: 2019-04-12 Release date: 2019-07-31 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Artificial beta-propeller protein-based hydrolases. Chem.Commun.(Camb.), 55, 2019
6REO	Crystal structure of 3fPizza6-SH with Sulphate ion Descriptor: 3fPizza6-SH, SULFATE ION Authors: Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D. Deposit date: 2019-04-12 Release date: 2020-11-18 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Artificial beta-Propeller Protein-based Hydrolases To Be Published
6R38	T. brucei FPPS in complex with 2-(2,5-dichlorobenzo[b]thiophen-3-yl)acetic acid Descriptor: 2-[2,5-bis(chloranyl)-1-benzothiophen-3-yl]ethanoic acid, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase Authors: Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. Deposit date: 2019-03-19 Release date: 2020-04-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.33 Å) Cite: Targeting Trypanosoma brucei FPPS by Fragment-based drug discovery Thesis, 2019
6RAB	Ruminococcus gnavus sialic acid aldolase Wild Type Descriptor: Putative N-acetylneuraminate lyase Authors: Owen, C.D, Bell, A, Juge, N, Walsh, M.A. Deposit date: 2019-04-05 Release date: 2019-09-25 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (1.96 Å) Cite: Elucidation of a sialic acid metabolism pathway in mucus-foraging Ruminococcus gnavus unravels mechanisms of bacterial adaptation to the gut. Nat Microbiol, 4, 2019
6R46	Crystal structure of LPOR (Thermosynechococcus elongatus) complexed with NADP+ at 2.5A resolution Descriptor: CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-protochlorophyllide oxidoreductase, ... Authors: Zhou, A, Feng, L. Deposit date: 2019-03-22 Release date: 2019-10-30 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis. Nature, 574, 2019
6RCT	Crystal structure of CLK3 in complex with T3-CLK Descriptor: 1,2-ETHANEDIOL, 4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-~{N}-(6-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzamide, Dual specificity protein kinase CLK3 Authors: Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) Deposit date: 2019-04-11 Release date: 2019-05-01 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.32 Å) Cite: Crystal structure of CLK3 in complex with TP003 To Be Published
6R3V	Crystal Structure of RhoA-GDP-Pi in Complex with RhoGAP Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GUANOSINE-5'-DIPHOSPHATE, ... Authors: Jin, Y. Deposit date: 2019-03-21 Release date: 2019-05-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.75 Å) Cite: A GAP-GTPase-GDP-PiIntermediate Crystal Structure Analyzed by DFT Shows GTP Hydrolysis Involves Serial Proton Transfers. Chemistry, 25, 2019
6RA5	Human tnik in complex with compound 9 Descriptor: 5-bromanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-8-amine, MAGNESIUM ION, TRAF2 and NCK-interacting protein kinase Authors: Read, J.A. Deposit date: 2019-04-05 Release date: 2020-05-06 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Tool inhibitors and assays to interrogate the biology of the TRAF2 and NCK interacting kinase To Be Published
6RCE	Pmar-Lig_PreS3 Descriptor: ADENOSINE MONOPHOSPHATE, ATP-dependent DNA ligase, DNA (5'-D(*TP*TP*CP*CP*GP*AP*CP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3'), ... Authors: Leiros, H.K.S, Williamson, A. Deposit date: 2019-04-11 Release date: 2019-07-10 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.946 Å) Cite: Structural intermediates of a DNA-ligase complex illuminate the role of the catalytic metal ion and mechanism of phosphodiester bond formation. Nucleic Acids Res., 47, 2019
6R5R	The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with cellobiose Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ... Authors: Batuecas, M.T, Hermoso, J.A. Deposit date: 2019-03-25 Release date: 2020-04-15 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation. Acs Chem.Biol., 15, 2020
6RD1	Ruminococcus gnavus sialic acid aldolase catalytic lysine mutant in complex with sialic acid Descriptor: 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid, Putative N-acetylneuraminate lyase Authors: Owen, C.D, Bell, A, Juge, N, Walsh, M.A. Deposit date: 2019-04-12 Release date: 2019-09-25 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.892 Å) Cite: Elucidation of a sialic acid metabolism pathway in mucus-foraging Ruminococcus gnavus unravels mechanisms of bacterial adaptation to the gut. Nat Microbiol, 4, 2019
6R6Q	HIV capsid hexamer with IP5 ligand Descriptor: Gag polyprotein Authors: James, L.C. Deposit date: 2019-03-27 Release date: 2020-05-06 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.73 Å) Cite: HIV hexamer to be published
6REX	Crystal structure of the light-driven sodium pump KR2 in the pentameric form, pH 6.0 Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ... Authors: Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V. Deposit date: 2019-04-12 Release date: 2019-04-24 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structure and mechanisms of sodium-pumping KR2 rhodopsin. Sci Adv, 5, 2019
6R8K	Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikD with an engineered HMA domain of Pikp-1 from rice (Oryza sativa) Descriptor: AVR-Pik protein, NBS-LRR class disease resistance protein Pikh-1 Authors: De la Concepcion, J.C, Franceschetti, M, Banfield, M.J. Deposit date: 2019-04-02 Release date: 2019-04-24 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Protein engineering expands the effector recognition profile of a rice NLR immune receptor. Elife, 8, 2019
6RA0	A ubiquitin-like dimerization domain controls protein kinase D activation by trans-autophosphorylation Descriptor: Serine/threonine-protein kinase dkf-1, ZINC ION Authors: Elsner, D.J, Leonard, T.A. Deposit date: 2019-04-05 Release date: 2019-08-14 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (2.26 Å) Cite: A ubiquitin-like domain controls protein kinase D dimerization and activation by trans-autophosphorylation. J.Biol.Chem., 294, 2019
6RA9	Novel structural features and post-translational modifications in eukaryotic elongation factor 1A2 from Oryctolagus cuniculus Descriptor: Elongation factor 1-alpha 2, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... Authors: Carriles, A.A, Hermoso, J, Gago, F. Deposit date: 2019-04-05 Release date: 2020-06-03 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structural Cues for Understanding eEF1A2 Moonlighting. Chembiochem, 22, 2021
6RC0	Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative Descriptor: 8-bromanyl-9-[(2~{R})-oxan-2-yl]purin-6-amine, CITRIC ACID, NAD kinase 1 Authors: Gelin, M, Labesse, G. Deposit date: 2019-04-11 Release date: 2020-02-19 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (2.75 Å) Cite: From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus. Acs Infect Dis., 6, 2020
6RCL	Crystal structure of REXO2-D199A-AA Descriptor: MAGNESIUM ION, Oligoribonuclease, mitochondrial, ... Authors: Spahr, H, Nicholls, T.J, Larsson, N.G, Gustafsson, C.M. Deposit date: 2019-04-11 Release date: 2019-10-09 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Dinucleotide Degradation by REXO2 Maintains Promoter Specificity in Mammalian Mitochondria. Mol.Cell, 76, 2019
6REZ	Crystal structure of the light-driven sodium pump KR2 in the pentameric form, pH 5.0 Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ... Authors: Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V. Deposit date: 2019-04-12 Release date: 2019-04-24 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structure and mechanisms of sodium-pumping KR2 rhodopsin. Sci Adv, 5, 2019
6RF7	Crystal structure of the light-driven sodium pump KR2 in the monomeric form, pH 8.9 Descriptor: EICOSANE, RETINAL, Sodium pumping rhodopsin Authors: Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V. Deposit date: 2019-04-12 Release date: 2019-04-24 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structure and mechanisms of sodium-pumping KR2 rhodopsin. Sci Adv, 5, 2019
6RFB	Crystal structure of the potassium-pumping S254A mutant of the light-driven sodium pump KR2 in the monomeric form, pH 4.3 Descriptor: EICOSANE, GLYCEROL, RETINAL, ... Authors: Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V. Deposit date: 2019-04-12 Release date: 2019-04-24 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structure and mechanisms of sodium-pumping KR2 rhodopsin. Sci Adv, 5, 2019
6RFJ	IRAK4 IN COMPLEX WITH inhibitor Descriptor: Interleukin-1 receptor-associated kinase 4, SULFATE ION, methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate Authors: Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D. Deposit date: 2019-04-15 Release date: 2019-10-30 Last modified: 2019-11-27 Method: X-RAY DIFFRACTION (2.61 Å) Cite: Discovery of a Series of 5-Azaquinazolines as Orally Efficacious IRAK4 Inhibitors Targeting MyD88L265PMutant Diffuse Large B Cell Lymphoma. J.Med.Chem., 62, 2019
6RGI	Partially unfolded cytochrome c in complex with sulfonatocalix[6]arene Descriptor: Cytochrome c iso-1, HEME C, IMIDAZOLE, ... Authors: Engilberge, S, Rennie, M.L, Crowley, P.B. Deposit date: 2019-04-16 Release date: 2019-07-10 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.64 Å) Cite: Calixarene capture of partially unfolded cytochrome c. Febs Lett., 593, 2019
6RGZ	Revisiting pH-gated conformational switch. Complex HK853-RR468 pH 6.5 Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... Authors: Mideros-Mora, C, Casino, P, Marina, A. Deposit date: 2019-04-18 Release date: 2020-02-19 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Revisiting the pH-gated conformational switch on the activities of HisKA-family histidine kinases. Nat Commun, 11, 2020

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