6REH
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![BU of 6reh by Molmil](/molmil-images/mine/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
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6REJ
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![BU of 6rej by Molmil](/molmil-images/mine/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
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6REO
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![BU of 6reo by Molmil](/molmil-images/mine/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
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6R38
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![BU of 6r38 by Molmil](/molmil-images/mine/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
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6RAB
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![BU of 6rab by Molmil](/molmil-images/mine/6rab) | |
6R46
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![BU of 6r46 by Molmil](/molmil-images/mine/6r46) | |
6RCT
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![BU of 6rct by Molmil](/molmil-images/mine/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
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6R3V
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![BU of 6r3v by Molmil](/molmil-images/mine/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
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6RA5
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![BU of 6ra5 by Molmil](/molmil-images/mine/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
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6RCE
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![BU of 6rce by Molmil](/molmil-images/mine/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
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6R5R
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![BU of 6r5r by Molmil](/molmil-images/mine/6r5r) | |
6RD1
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![BU of 6rd1 by Molmil](/molmil-images/mine/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
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6R6Q
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![BU of 6r6q by Molmil](/molmil-images/mine/6r6q) | |
6REX
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![BU of 6rex by Molmil](/molmil-images/mine/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
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6R8K
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![BU of 6r8k by Molmil](/molmil-images/mine/6r8k) | |
6RA0
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![BU of 6ra0 by Molmil](/molmil-images/mine/6ra0) | |
6RA9
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![BU of 6ra9 by Molmil](/molmil-images/mine/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
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6RC0
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![BU of 6rc0 by Molmil](/molmil-images/mine/6rc0) | |
6RCL
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![BU of 6rcl by Molmil](/molmil-images/mine/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
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6REZ
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![BU of 6rez by Molmil](/molmil-images/mine/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
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6RF7
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![BU of 6rf7 by Molmil](/molmil-images/mine/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
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6RFB
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![BU of 6rfb by Molmil](/molmil-images/mine/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
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6RFJ
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![BU of 6rfj by Molmil](/molmil-images/mine/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
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6RGI
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![BU of 6rgi by Molmil](/molmil-images/mine/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
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6RGZ
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![BU of 6rgz by Molmil](/molmil-images/mine/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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