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8EX3
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Plasmodium falciparum M1 in complex with inhibitor 9aa
分子名称: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
著者Calic, P.P.S, McGowan, S, Webb, C.T.
登録日2022-10-24
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Eur.J.Med.Chem., 248, 2022
8EX2
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BU of 8ex2 by Molmil
Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with HTSA3
分子名称: 3,5-diphenyl-2-(trifluoromethyl)-6~{H}-pyrazolo[1,5-a]pyrimidin-7-one, GLYCEROL, Tyrosine-protein kinase JAK2
著者Sampathkumar, P, Hubbard, S.R.
登録日2022-10-24
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8EX1
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Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with Reversine
分子名称: GLYCEROL, N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine, Tyrosine-protein kinase JAK2
著者Sampathkumar, P, Hubbard, S.R.
登録日2022-10-24
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8EWZ
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Plasmodium falciparum M1 in complex with inhibitor 9c
分子名称: (2R)-2-(cyclopentylcarbamamido)-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Calic, P.P.S, McGowan, S, Webb, C.T.
登録日2022-10-24
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Eur.J.Med.Chem., 248, 2022
8EWY
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Structure of Janus Kinase (JAK) dimer complexed with cytokine receptor intracellular domain
分子名称: ADENOSINE, ADENOSINE-5'-DIPHOSPHATE, Interferon lambda receptor 1, ...
著者Caveney, N.A, Saxton, R.A, Waghray, D, Garcia, K.C.
登録日2022-10-24
公開日2023-03-08
最終更新日2023-03-22
実験手法ELECTRON MICROSCOPY (5.5 Å)
主引用文献Structural basis of Janus kinase trans-activation.
Cell Rep, 42, 2023
8EWX
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N-terminal WD40 domain of beta'-COPI subunit with two chains in the asymmetric unit
分子名称: Coatomer subunit beta'
著者Dey, D, Hasan, S.S.
登録日2022-10-24
公開日2023-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Strategies for rapid production of crystallization quality coatomer WD40 domains.
Protein Expr.Purif., 212, 2023
8EWV
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DNA-encoded library (DEL)-enabled discovery of proximity inducing small molecules
分子名称: Bromodomain-containing protein 4, Elongin-B, Elongin-C, ...
著者Schreiber, S.L, Shu, W, Ma, X, Michaud, G, Bonazzi, S, Berst, F.
登録日2022-10-24
公開日2023-10-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献DNA-encoded library-enabled discovery of proximity-inducing small molecules.
Nat.Chem.Biol., 20, 2024
8EWU
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X-ray structure of the GDP-6-deoxy-4-keto-D-lyxo-heptose-4-reductase from Campylobacter jejuni HS:15
分子名称: 1,2-ETHANEDIOL, GDP-L-fucose synthase, GUANOSINE-5'-DIPHOSPHATE, ...
著者Thoden, J.B, Xiang, D.F, Ghosh, M.K, Riegert, A.S, Raushel, F.M, Holden, H.M.
登録日2022-10-24
公開日2022-11-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Bifunctional Epimerase/Reductase Enzymes Facilitate the Modulation of 6-Deoxy-Heptoses Found in the Capsular Polysaccharides of Campylobacter jejuni.
Biochemistry, 62, 2023
8EWT
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Bile salt hydrolase A from Lactobacillus gasseri bound to covalent probe
分子名称: (5R)-5-{(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-[(prop-2-yn-1-yl)oxy]hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-1-fluorohexan-2-one (non-preferred name), Conjugated bile salt hydrolase, SODIUM ION
著者Walker, M.E, Redinbo, M.R.
登録日2022-10-24
公開日2023-11-15
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity
To Be Published
8EWS
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Crystal structure of CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)-1-benzothiophen-3-yl-kappaC~3~]iridium(1+)
著者Sevrioukova, I.F.
登録日2022-10-24
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4.
Inorg.Chem., 62, 2023
8EWR
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Crystal structure of CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
著者Sevrioukova, I.F.
登録日2022-10-24
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4.
Inorg.Chem., 62, 2023
8EWQ
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Crystal structure of CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {N-[1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]benzamide}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
著者Sevrioukova, I.F.
登録日2022-10-24
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4.
Inorg.Chem., 62, 2023
8EWP
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BU of 8ewp by Molmil
Crystal structure of CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)-1-benzothiophen-3-yl-kappaC~3~]iridium(1+)
著者Sevrioukova, I.F.
登録日2022-10-24
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4.
Inorg.Chem., 62, 2023
8EWO
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BU of 8ewo by Molmil
Crystal structure of putative glyoxylase II from Pseudomonas aeruginosa
分子名称: CHLORIDE ION, GLYCEROL, PA1813, ...
著者Stogios, P.J, Skarina, T, Endres, M, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
登録日2022-10-24
公開日2022-11-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Crystal structure of putative glyoxylase II from Pseudomonas aeruginosa
To Be Published
8EWN
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Crystal structure of CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[3,5-difluoro-2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
著者Sevrioukova, I.F.
登録日2022-10-24
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4.
Inorg.Chem., 62, 2023
8EWM
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BU of 8ewm by Molmil
Crystal structure of CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methylidene]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[3,5-difluoro-2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
著者Sevrioukova, I.F.
登録日2022-10-24
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4.
Inorg.Chem., 62, 2023
8EWL
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BU of 8ewl by Molmil
Crystal structure of CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
著者Sevrioukova, I.F.
登録日2022-10-24
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4.
Inorg.Chem., 62, 2023
8EWG
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Cryo-EM structure of a riboendonclease
分子名称: CRISPR-associated endonuclease Cas9, RNA (56-MER)
著者Li, Z, Wang, F.
登録日2022-10-23
公開日2023-08-30
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural Basis for the Ribonuclease Activity of a Thermostable CRISPR-Cas13a from Thermoclostridium caenicola.
J.Mol.Biol., 435, 2023
8EWF
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CryoEM structure of Western equine encephalitis virus VLP in complex with the avian MXRA8 receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Chimeric MXRA8 receptor: D1 from Duck MXRA8 and D2 from Mouse MXRA8, E1 envelope protein, ...
著者Zimmerman, M.I, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
登録日2022-10-22
公開日2023-10-25
実験手法ELECTRON MICROSCOPY (3.92 Å)
主引用文献Alternate domain repeat usage in an alphavirus entry receptor enables host species expansion
To Be Published
8EWE
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Crystal structure of CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium
著者Sevrioukova, I.F.
登録日2022-10-22
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4.
Inorg.Chem., 62, 2023
8EWD
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Crystal structure of CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
著者Sevrioukova, I.F.
登録日2022-10-22
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4.
Inorg.Chem., 62, 2023
8EW5
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The structure of flightin within myosin thick filaments from Bombus ignitus flight muscle
分子名称: Flightin
著者Li, J, Rahmani, H, Abbasi Yeganeh, F, Rastegarpouyani, H, Taylor, D.W, Wood, N.B, Previs, M.J, Iwamoto, H, Taylor, K.A.
登録日2022-10-21
公開日2023-01-04
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献Structure of the Flight Muscle Thick Filament from the Bumble Bee, Bombus ignitus , at 6 angstrom Resolution.
Int J Mol Sci, 24, 2022
8EW4
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Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 1
分子名称: COBALT (II) ION, MYRISTIC ACID, Serum albumin
著者Gucwa, M, Cooper, D.R, Unciano, J, Lea, K, Kim, L, Lenkiewicz, J, Starban, I, Stewart, A.J, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
登録日2022-10-21
公開日2022-11-09
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and biochemical characterisation of Co2+-binding sites on serum albumins and their interplay with fatty acids
Chem Sci, 14, 2023
8EW1
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Structure of Bacple_01703-E145L
分子名称: ACETATE ION, CALCIUM ION, CHLORIDE ION, ...
著者Ulaganathan, T, Cygler, M.
登録日2022-10-21
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The porphyran degradation system of the human gut microbiota is complete, phylogenetically diverse and geographically structured across Asian populations
Biorxiv, 2023
8EVR
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Hypopseudouridylated yeast 80S bound with Taura syndrome virus (TSV) internal ribosome entry site (IRES), eEF2, GDP, and sordarin, Structure II
分子名称: (1S,3S,3aR,4S,4aR,7R,7aR,8aS)-8a-{[(6-deoxy-4-O-methyl-alpha-D-altropyranosyl)oxy]methyl}-4-formyl-7-methyl-3-(propan-2-yl)decahydro-1,4-methano-s-indacene-3a(1H)-carboxylate, 18S rRNA, 25S rRNA, ...
著者Zhao, Y, Rai, J, Li, H.
登録日2022-10-20
公開日2023-09-06
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Regulation of translation by ribosomal RNA pseudouridylation.
Sci Adv, 9, 2023

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件を2024-07-10に公開中

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