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6REH
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BU of 6reh by Molmil
Crystal structure of Pizza6-S with Cu2+
分子名称: COPPER (II) ION, GLYCEROL, Pizza6-S, ...
著者Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D.
登録日2019-04-12
公開日2019-07-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Artificial beta-propeller protein-based hydrolases.
Chem.Commun.(Camb.), 55, 2019
6REJ
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BU of 6rej by Molmil
Crystal structure of Pizza6-SH with Zn2+
分子名称: Pizza6-SH, SULFATE ION, ZINC ION
著者Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D.
登録日2019-04-12
公開日2019-07-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Artificial beta-propeller protein-based hydrolases.
Chem.Commun.(Camb.), 55, 2019
6REO
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BU of 6reo by Molmil
Crystal structure of 3fPizza6-SH with Sulphate ion
分子名称: 3fPizza6-SH, SULFATE ION
著者Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D.
登録日2019-04-12
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Artificial beta-Propeller Protein-based Hydrolases
To Be Published
6R38
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BU of 6r38 by Molmil
T. brucei FPPS in complex with 2-(2,5-dichlorobenzo[b]thiophen-3-yl)acetic acid
分子名称: 2-[2,5-bis(chloranyl)-1-benzothiophen-3-yl]ethanoic acid, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase
著者Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W.
登録日2019-03-19
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Targeting Trypanosoma brucei FPPS by Fragment-based drug discovery
Thesis, 2019
6RAB
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BU of 6rab by Molmil
Ruminococcus gnavus sialic acid aldolase Wild Type
分子名称: Putative N-acetylneuraminate lyase
著者Owen, C.D, Bell, A, Juge, N, Walsh, M.A.
登録日2019-04-05
公開日2019-09-25
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献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
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BU of 6r46 by Molmil
Crystal structure of LPOR (Thermosynechococcus elongatus) complexed with NADP+ at 2.5A resolution
分子名称: CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-protochlorophyllide oxidoreductase, ...
著者Zhou, A, Feng, L.
登録日2019-03-22
公開日2019-10-30
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis.
Nature, 574, 2019
6RCT
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BU of 6rct by Molmil
Crystal structure of CLK3 in complex with T3-CLK
分子名称: 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
著者Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-04-11
公開日2019-05-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Crystal structure of CLK3 in complex with TP003
To Be Published
6R3V
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BU of 6r3v by Molmil
Crystal Structure of RhoA-GDP-Pi in Complex with RhoGAP
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GUANOSINE-5'-DIPHOSPHATE, ...
著者Jin, Y.
登録日2019-03-21
公開日2019-05-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A GAP-GTPase-GDP-PiIntermediate Crystal Structure Analyzed by DFT Shows GTP Hydrolysis Involves Serial Proton Transfers.
Chemistry, 25, 2019
6RA5
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BU of 6ra5 by Molmil
Human tnik in complex with compound 9
分子名称: 5-bromanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-8-amine, MAGNESIUM ION, TRAF2 and NCK-interacting protein kinase
著者Read, J.A.
登録日2019-04-05
公開日2020-05-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Tool inhibitors and assays to interrogate the biology of the TRAF2 and NCK interacting kinase
To Be Published
6RCE
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BU of 6rce by Molmil
Pmar-Lig_PreS3
分子名称: 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'), ...
著者Leiros, H.K.S, Williamson, A.
登録日2019-04-11
公開日2019-07-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.946 Å)
主引用文献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
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BU of 6r5r by Molmil
The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with cellobiose
分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ...
著者Batuecas, M.T, Hermoso, J.A.
登録日2019-03-25
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6RD1
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BU of 6rd1 by Molmil
Ruminococcus gnavus sialic acid aldolase catalytic lysine mutant in complex with sialic acid
分子名称: 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid, Putative N-acetylneuraminate lyase
著者Owen, C.D, Bell, A, Juge, N, Walsh, M.A.
登録日2019-04-12
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.892 Å)
主引用文献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
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BU of 6r6q by Molmil
HIV capsid hexamer with IP5 ligand
分子名称: Gag polyprotein
著者James, L.C.
登録日2019-03-27
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献HIV hexamer
to be published
6REX
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BU of 6rex by Molmil
Crystal structure of the light-driven sodium pump KR2 in the pentameric form, pH 6.0
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ...
著者Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V.
登録日2019-04-12
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure and mechanisms of sodium-pumping KR2 rhodopsin.
Sci Adv, 5, 2019
6R8K
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BU of 6r8k by Molmil
Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikD with an engineered HMA domain of Pikp-1 from rice (Oryza sativa)
分子名称: AVR-Pik protein, NBS-LRR class disease resistance protein Pikh-1
著者De la Concepcion, J.C, Franceschetti, M, Banfield, M.J.
登録日2019-04-02
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Protein engineering expands the effector recognition profile of a rice NLR immune receptor.
Elife, 8, 2019
6RA0
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BU of 6ra0 by Molmil
A ubiquitin-like dimerization domain controls protein kinase D activation by trans-autophosphorylation
分子名称: Serine/threonine-protein kinase dkf-1, ZINC ION
著者Elsner, D.J, Leonard, T.A.
登録日2019-04-05
公開日2019-08-14
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献A ubiquitin-like domain controls protein kinase D dimerization and activation by trans-autophosphorylation.
J.Biol.Chem., 294, 2019
6RA9
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BU of 6ra9 by Molmil
Novel structural features and post-translational modifications in eukaryotic elongation factor 1A2 from Oryctolagus cuniculus
分子名称: Elongation factor 1-alpha 2, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
著者Carriles, A.A, Hermoso, J, Gago, F.
登録日2019-04-05
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Cues for Understanding eEF1A2 Moonlighting.
Chembiochem, 22, 2021
6RC0
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BU of 6rc0 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 8-bromanyl-9-[(2~{R})-oxan-2-yl]purin-6-amine, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RCL
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BU of 6rcl by Molmil
Crystal structure of REXO2-D199A-AA
分子名称: MAGNESIUM ION, Oligoribonuclease, mitochondrial, ...
著者Spahr, H, Nicholls, T.J, Larsson, N.G, Gustafsson, C.M.
登録日2019-04-11
公開日2019-10-09
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Dinucleotide Degradation by REXO2 Maintains Promoter Specificity in Mammalian Mitochondria.
Mol.Cell, 76, 2019
6REZ
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BU of 6rez by Molmil
Crystal structure of the light-driven sodium pump KR2 in the pentameric form, pH 5.0
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ...
著者Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V.
登録日2019-04-12
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and mechanisms of sodium-pumping KR2 rhodopsin.
Sci Adv, 5, 2019
6RF7
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BU of 6rf7 by Molmil
Crystal structure of the light-driven sodium pump KR2 in the monomeric form, pH 8.9
分子名称: EICOSANE, RETINAL, Sodium pumping rhodopsin
著者Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V.
登録日2019-04-12
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and mechanisms of sodium-pumping KR2 rhodopsin.
Sci Adv, 5, 2019
6RFB
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BU of 6rfb by Molmil
Crystal structure of the potassium-pumping S254A mutant of the light-driven sodium pump KR2 in the monomeric form, pH 4.3
分子名称: EICOSANE, GLYCEROL, RETINAL, ...
著者Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V.
登録日2019-04-12
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and mechanisms of sodium-pumping KR2 rhodopsin.
Sci Adv, 5, 2019
6RFJ
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BU of 6rfj by Molmil
IRAK4 IN COMPLEX WITH inhibitor
分子名称: 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
著者Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D.
登録日2019-04-15
公開日2019-10-30
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献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
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BU of 6rgi by Molmil
Partially unfolded cytochrome c in complex with sulfonatocalix[6]arene
分子名称: Cytochrome c iso-1, HEME C, IMIDAZOLE, ...
著者Engilberge, S, Rennie, M.L, Crowley, P.B.
登録日2019-04-16
公開日2019-07-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Calixarene capture of partially unfolded cytochrome c.
Febs Lett., 593, 2019
6RGZ
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BU of 6rgz by Molmil
Revisiting pH-gated conformational switch. Complex HK853-RR468 pH 6.5
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
著者Mideros-Mora, C, Casino, P, Marina, A.
登録日2019-04-18
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Revisiting the pH-gated conformational switch on the activities of HisKA-family histidine kinases.
Nat Commun, 11, 2020

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