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8OEH
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Aspergillus niger ferulic acid decarboxylase (Fdc) C122-S261C (DB3) variant in complex with prenylated flavin
分子名称: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
著者Roberts, G.W, Leys, D.
登録日2023-03-10
公開日2023-09-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Aspergillus niger ferulic acid decarboxylase (Fdc) C122-S261C (DB3) variant in complex with prenylated flavin
To Be Published
8OEG
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PDE4B bound to MAPI compound 92a
分子名称: MAGNESIUM ION, ZINC ION, [(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-4-yl]-1-(3,4-dimethoxyphenyl)ethyl] 5-[[[(1~{R})-2-[[(3~{R})-1-azabicyclo[2.2.2]octan-3-yl]oxy]-2-oxidanylidene-1-phenyl-ethyl]amino]methyl]thiophene-2-carboxylate, ...
著者Rizzi, A, Armani, E.
登録日2023-03-10
公開日2023-04-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Optimization of M 3 Antagonist-PDE4 Inhibitor (MAPI) Dual Pharmacology Molecules for the Treatment of COPD.
J.Med.Chem., 66, 2023
8OED
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Aspergillus niger ferulic acid decarboxylase (Fdc) S145C-P289C (DB2) variant in complex with prenylated flavin hydroxylated at the C1 prime position
分子名称: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
著者Roberts, G.W, Leys, D.
登録日2023-03-10
公開日2023-09-06
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Aspergillus niger ferulic acid decarboxylase (Fdc) T40C-S315C (DB1) variant in complex with prenylated flavin hydroxylated at the C1 prime position
To Be Published
8OE6
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BU of 8oe6 by Molmil
Structure of hyperstable haloalkane dehalogenase variant DhaA231
分子名称: CHLORIDE ION, MAGNESIUM ION, Structure of hyperstable haloalkane dehalogenase variant DhaA231
著者Marek, M.
登録日2023-03-10
公開日2024-01-17
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Advancing Enzyme's Stability and Catalytic Efficiency through Synergy of Force-Field Calculations, Evolutionary Analysis, and Machine Learning.
Acs Catalysis, 13, 2023
8OE5
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BU of 8oe5 by Molmil
Structure of P167S BlaC from Mycobacterium tuberculosis at pH 6.3
分子名称: Beta-lactamase, CITRATE ANION, GLYCEROL
著者Sun, J, Chikunova, A, Ubbink, M.
登録日2023-03-10
公開日2023-08-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Enhanced activity against a third-generation cephalosporin by destabilization of the active site of a class A beta-lactamase.
Int.J.Biol.Macromol., 250, 2023
8OE2
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BU of 8oe2 by Molmil
Structure of hyperstable haloalkane dehalogenase variant DhaA223
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
著者Marek, M.
登録日2023-03-10
公開日2024-01-17
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Advancing Enzyme's Stability and Catalytic Efficiency through Synergy of Force-Field Calculations, Evolutionary Analysis, and Machine Learning.
Acs Catalysis, 13, 2023
8OE1
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Structure of P167S BlaC from Mycobacterium tuberculosis at pH 5
分子名称: Beta-lactamase, GLYCEROL
著者Sun, J, Chikunova, A, Ubbink, M.
登録日2023-03-10
公開日2023-08-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Enhanced activity against a third-generation cephalosporin by destabilization of the active site of a class A beta-lactamase.
Int.J.Biol.Macromol., 250, 2023
8ODW
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BU of 8odw by Molmil
Crystal structure of LbmA Ox-ACP didomain in complex with NADP and ethyl glycinate from the lobatamide PKS (Gynuella sunshinyii)
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Francois, R.M.M, Fraley, A.E, Piel, J, Weissman, K.J, Gruez, A.
登録日2023-03-09
公開日2023-05-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Modular Oxime Formation by a trans-AT Polyketide Synthase.
Angew.Chem.Int.Ed.Engl., 62, 2023
8ODT
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Structure of TolQR complex from E.coli
分子名称: Tol-Pal system protein TolQ, Tol-Pal system protein TolR
著者Webby, M.N, Kleanthous, C, Press, C.E.
登録日2023-03-09
公開日2023-11-01
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Tunable force transduction through the Escherichia coli cell envelope.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ODQ
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SufS-SufU complex from Mycobacterium tuberculosis
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Cysteine desulfurase, NITRATE ION, ...
著者Elchennawi, I, Carpentier, P, Caux, C, Ponge, M, Ollagnier de Choudens, S.
登録日2023-03-09
公開日2023-05-31
最終更新日2023-06-07
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and Biochemical Characterization of Mycobacterium tuberculosis Zinc SufU-SufS Complex.
Biomolecules, 13, 2023
8NSE
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BU of 8nse by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, NNA COMPLEX
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, CACODYLIC ACID, GLYCEROL, ...
著者Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L.
登録日1999-01-14
公開日2001-11-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of nitric oxide synthase bound to nitro indazole reveals a novel inactivation mechanism.
Biochemistry, 40, 2001
8KME
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BU of 8kme by Molmil
CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN INHIBITED WITH SEL2770.
分子名称: N-ACETYLHIRUDIN, SEL2770, SODIUM ION, ...
著者Mochalkin, I, Tulinsky, A.
登録日1999-03-21
公開日1999-03-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of thrombin retro-inhibited with SEL2711 and SEL2770 as they relate to factor Xa binding.
Acta Crystallogr.,Sect.D, 55, 1999
8KI1
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BU of 8ki1 by Molmil
Crystal structure of the holo form of the hemophore HasA from Pseudomonas protegens Pf-5
分子名称: GLYCEROL, Heme acquisition protein HasAp, PHOSPHATE ION, ...
著者Shisaka, Y, Inaba, H, Sugimoto, H, Shoji, O.
登録日2023-08-22
公開日2024-03-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Heme-substituted protein assembly bridged by synthetic porphyrin: achieving controlled configuration while maintaining rotational freedom.
Rsc Adv, 14, 2024
8KI0
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BU of 8ki0 by Molmil
Crystal structure of the hemophore HasA from Pseudomonas protegens Pf-5 capturing Fe-tetraphenylporphyrin
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Heme acquisition protein HasAp, ...
著者Shisaka, Y, Inaba, H, Sugimoto, H, Shoji, O.
登録日2023-08-22
公開日2024-03-27
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Heme-substituted protein assembly bridged by synthetic porphyrin: achieving controlled configuration while maintaining rotational freedom.
Rsc Adv, 14, 2024
8KHU
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BU of 8khu by Molmil
Hepatitis B virus core protein Y132A mutant in complex with THPP derivatives 48
分子名称: (6~{S},7~{R})-6,7-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)-~{N}-[3,4,5-tris(fluoranyl)phenyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxamide, Capsid protein, GLYCEROL, ...
著者Zhou, Z, Xu, Z.H.
登録日2023-08-22
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of 4,5,6,7-Tetrahydropyrazolo[1.5-a]pyrizine Derivatives as Core Protein Allosteric Modulators (CpAMs) for the Inhibition of Hepatitis B Virus.
J.Med.Chem., 66, 2023
8KHR
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BU of 8khr by Molmil
Cryo-EM structure of EBV gH/gL-gp42 in complex with fab 2C1
分子名称: 2C1 heavy chain, 2C1 light chain, Envelope glycoprotein H, ...
著者Fang, X.Y, Zhao, G.X, Zeng, M.S, Liu, Z.
登録日2023-08-22
公開日2024-06-19
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Potent human monoclonal antibodies targeting Epstein-Barr virus gp42 reveal vulnerable sites for virus infection.
Cell Rep Med, 5, 2024
8KHP
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BU of 8khp by Molmil
CULLIN3-KLHL22-RBX1 E3 ligase
分子名称: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch-like protein 22
著者Su, M.-Y, Su, M.-Y.
登録日2023-08-22
公開日2023-12-13
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Cryo-EM structure of the KLHL22 E3 ligase bound to an oligomeric metabolic enzyme.
Structure, 31, 2023
8KHM
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Crystal structure of human methionine aminopeptidase 12 (MAP12) in the unbound form
分子名称: GLYCEROL, Methionine aminopeptidase 1D, mitochondrial, ...
著者Lee, Y, Lee, E, Hahn, H, Kim, H, Heo, Y, Jang, D.M, Kim, H.J, Kim, H.S.
登録日2023-08-22
公開日2024-01-24
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Structural insights into N-terminal methionine cleavage by the human mitochondrial methionine aminopeptidase, MetAP1D.
Sci Rep, 13, 2023
8KHD
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BU of 8khd by Molmil
The interface structure of Omicron RBD binding to 5817 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 5817, Light chain of 5817, ...
著者Cao, L, Wang, X.
登録日2023-08-21
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Identification of a broad sarbecovirus neutralizing antibody targeting a conserved epitope on the receptor-binding domain.
Cell Rep, 43, 2024
8KHC
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SARS-CoV-2 Omicron spike in complex with 5817 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 5817 Fab, ...
著者Cao, L, Wang, X.
登録日2023-08-21
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Identification of a broad sarbecovirus neutralizing antibody targeting a conserved epitope on the receptor-binding domain.
Cell Rep, 43, 2024
8KH2
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BU of 8kh2 by Molmil
Crystal structure of horse-spleen L-ferritin fused with amyloid beta peptide (1-42).
分子名称: CADMIUM ION, CHLORIDE ION, Ferritin light chain,Amyloid-beta precursor protein (Fragment), ...
著者Maity, B, Tian, J, Abe, S, Ueno, T.
登録日2023-08-21
公開日2024-04-03
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fusion of amyloid beta with ferritin yields an isolated oligomeric beta-sheet-rich aggregate inside the ferritin cage.
Biomater Sci, 12, 2024
8KGY
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Human glutamate dehydrogenase I
分子名称: Glutamate dehydrogenase 1, mitochondrial
著者Su, M.-Y.
登録日2023-08-20
公開日2023-10-25
最終更新日2023-11-22
実験手法ELECTRON MICROSCOPY (2.59 Å)
主引用文献Cryo-EM structure of the KLHL22 E3 ligase bound to an oligomeric metabolic enzyme.
Structure, 31, 2023
8KG4
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Crystal Structure of M- and C-Domains of the shaft pilin LrpA from Ligilactobacillus ruminis - orthorhombic form
分子名称: 1,2-ETHANEDIOL, GLYCEROL, IODIDE ION, ...
著者Prajapati, A, Palva, A, von Ossowski, I, Krishnan, V.
登録日2023-08-17
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The crystal structure of the N-terminal domain of the backbone pilin LrpA reveals a new closure-and-twist motion for assembling dynamic pili in Ligilactobacillus ruminis.
Acta Crystallogr D Struct Biol, 2024
8KG3
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Structure of THOUSAND-GRAIN WEIGHT 6 (TGW6)
分子名称: Os06g0623700 protein
著者Akabane, T, Suzuki, N, Matsumura, H, Yoshizawa, T, Tsuchiya, W, Katoh, E, Hirotsu, N.
登録日2023-08-17
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献THOUSAND-GRAIN WEIGHT 6, which is an IAA-glucose hydrolase, preferentially recognizes the structure of the indole ring.
Sci Rep, 14, 2024
8KFD
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Ferritin drug carrier(FDC) for encapsulated platinum (IV) prodrug for esophageal squamous cell carcinoma targeted therapy
分子名称: CALCIUM ION, CHLORIDE ION, Ferritin heavy chain, ...
著者Chen, X.
登録日2023-08-15
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ferritin drug carrier(FDC) for encapsulated platinum (IV) prodrug for esophageal squamous cell carcinoma targeted therapy
To Be Published

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件を2024-07-10に公開中

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