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2C2W
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BU of 2c2w by Molmil
The fluorinase from Streptomyces cattleya is also a chlorinase. Structure of 5'-chloro-5'-deoxyadenosine crystallised in the fluorinase.
分子名称: 5'-CHLORO-5'-DEOXYADENOSINE, 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, CHLORIDE ION
著者McEwan, A.R, Naismith, J.H, O'Hagan, D.
登録日2005-09-30
公開日2005-12-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The fluorinase from Streptomyces cattleya is also a chlorinase.
Angew. Chem. Int. Ed. Engl., 45, 2006
3B8V
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Crystal structure of Escherichia coli alaine racemase mutant E221K
分子名称: Alanine racemase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X.
登録日2007-11-02
公開日2008-07-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis
Protein Sci., 17, 2008
3BBL
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Crystal structure of a regulatory protein of LacI family from Chloroflexus aggregans
分子名称: 1,2-ETHANEDIOL, Regulatory protein of LacI family
著者Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-11-09
公開日2007-11-27
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of a regulatory protein of LacI family from the Chloroflexus aggregans.
To be Published
8V9M
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Human Ornithine Aminotransferase cocrystallized with its inhibitor, (R)-3-amino-5,5-difluorocyclohex-1-ene-1-carboxylic acid.
分子名称: 3-fluoro-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid, GLYCEROL, Ornithine aminotransferase, ...
著者Vargas, A.L, Devitt, A, Kaley, N, Silverman, R, Liu, D.
登録日2023-12-08
公開日2024-05-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Design, Synthesis, and Mechanistic Studies of ( R )-3-Amino-5,5-difluorocyclohex-1-ene-1-carboxylic Acid as an Inactivator of Human Ornithine Aminotransferase.
Acs Chem.Biol., 19, 2024
2C1D
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Crystal structure of SoxXA from P. pantotrophus
分子名称: HEME C, SOXA, SOXX, ...
著者Dambe, T, Quentmeier, A, Rother, D, Friedrich, C, Scheidig, A.J.
登録日2005-09-13
公開日2005-10-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structure of the Cytochrome Complex Soxxa of Paracoccus Pantotrophus, a Heme Enzyme Initiating Chemotrophic Sulfur Oxidation.
J.Struct.Biol., 152, 2005
8U3J
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TRPV1 in nanodisc bound with empty vanilloid binding pocket at 4C
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, Transient receptor potential cation channel subfamily V member 1
著者Arnold, W.R, Julius, D, Cheng, Y.
登録日2023-09-07
公開日2024-05-08
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 2024
8AGM
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Limonene epoxide low pH soak of epoxide hydrolase from metagenomic source ch65
分子名称: 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, CHLORIDE ION, ...
著者Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A.
登録日2022-07-20
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.966 Å)
主引用文献Complexes of epoxide hydrolase from metagenomic source ch65
To Be Published
8U4D
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TRPV1 in nanodisc bound with PI-Br4, consensus structure
分子名称: (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1
著者Arnold, W.R, Julius, D, Cheng, Y.
登録日2023-09-10
公開日2024-05-08
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 2024
8AGP
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Halogenated product of limonene epoxide turnover by epoxide hydrolase from metagenomic source ch65
分子名称: (1~{S},2~{S},4~{R})-2-chloranyl-1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol, 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, ...
著者Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A.
登録日2022-07-20
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Complexes of epoxide hydrolase from metagenomic source ch65
To Be Published
3B40
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Crystal structure of the probable dipeptidase PvdM from Pseudomonas aeruginosa
分子名称: CADMIUM ION, CALCIUM ION, MAGNESIUM ION, ...
著者Bonanno, J.B, Patskovsky, Y, Dickey, M, Bain, K.T, Mendoza, M, Fong, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-10-23
公開日2007-11-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the probable dipeptidase PvdM from Pseudomonas aeruginosa.
To be Published
3BFJ
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BU of 3bfj by Molmil
Crystal structure analysis of 1,3-propanediol oxidoreductase
分子名称: 1,3-propanediol oxidoreductase, FE (II) ION
著者Marcal, D, Enguita, F.J, Carrondo, M.A, Structural Proteomics in Europe (SPINE)
登録日2007-11-21
公開日2008-11-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献1,3-propanediol dehydrogenase from Klebsiella pneumoniae: decameric quaternary structure and possible subunit cooperativity
J.Bacteriol., 191, 2009
8AH9
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De novo retro-aldolase RAbetaB-16.1
分子名称: BENZOIC ACID, RAbetaB-16.1
著者Mittl, P, Oualb Chaib, A, Hilvert, D.
登録日2022-07-21
公開日2023-08-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.747 Å)
主引用文献Design and optimization of enzymatic activity in a de novo beta-barrel scaffold.
Protein Sci., 31, 2022
4E0K
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Crystal Structure of the amyloid-fibril forming peptide KDWSFY derived from human Beta 2 Microglobulin (58-63)
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Amyloidogenic peptide segment KDWSFY, SODIUM ION
著者Zhao, M, Liu, C, Sawaya, M.R, Eisenberg, D.
登録日2012-03-04
公開日2012-12-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E1B
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BU of 4e1b by Molmil
Re-refinement of PDB entry 2EQA - SUA5 protein from Sulfolobus tokodaii with bound threonylcarbamoyladenylate
分子名称: MAGNESIUM ION, YrdC/Sua5 family protein, threonylcarbamoyladenylate
著者Parthier, C, Goerlich, S, Jaenecke, F, Breithaupt, C, Braeuer, U, Fandrich, U, Clausnitzer, D, Wehmeier, U.F, Boettcher, C, Scheel, D, Stubbs, M.T.
登録日2012-03-06
公開日2012-03-14
最終更新日2012-05-02
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The O-Carbamoyltransferase TobZ Catalyzes an Ancient Enzymatic Reaction.
Angew.Chem.Int.Ed.Engl., 51, 2012
2C4G
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BU of 2c4g by Molmil
STRUCTURE OF CDK2-CYCLIN A WITH PHA-533514
分子名称: (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ...
著者Cameron, A, Fogliatto, G, Pevarello, P, Fancelli, D, Vulpetti, A, Amici, R, Villa, M, Pittala, V, Ciomei, M, Mercurio, C, Bischoff, J.R, Roletto, F, Varasi, M, Brasca, M.G.
登録日2005-10-19
公開日2005-11-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献3-Amino-1,4,5,6-Tetrahydropyrrolo[3,4-C]Pyrazoles: A New Class of Cdk2 Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
7RAM
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BU of 7ram by Molmil
Cryo-EM Structure of the HCMV gHgLgO Trimer Derived from AD169 and TR strains in complex with PDGFRalpha
分子名称: Envelope glycoprotein H, Envelope glycoprotein L, Envelope glycoprotein O, ...
著者Liu, J, Vanarsdall, A.L, Chen, D, Johnson, D.C, Jardetzky, T.S.
登録日2021-07-02
公開日2022-06-08
実験手法ELECTRON MICROSCOPY (3.43 Å)
主引用文献Cryo-Electron Microscopy Structure and Interactions of the Human Cytomegalovirus gHgLgO Trimer with Platelet-Derived Growth Factor Receptor Alpha.
Mbio, 12, 2021
2BWN
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5-Aminolevulinate Synthase from Rhodobacter capsulatus
分子名称: 5-AMINOLEVULINATE SYNTHASE, ACETIC ACID, CHLORIDE ION, ...
著者Astner, I, Schulze, J.O, van den Heuvel, J.J, Jahn, D, Schubert, W.-D, Heinz, D.W.
登録日2005-07-15
公開日2005-09-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of 5-Aminolevulinate Synthase, the First Enzyme of Heme Biosynthesis, and its Link to Xlsa in Humans.
Embo J., 24, 2005
7TLJ
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Rhodobacter sphaeroides Mitochondrial respiratory chain complex
分子名称: (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE, (5S)-3-anilino-5-methyl-5-(6-phenoxypyridin-3-yl)-1,3-oxazolidine-2,4-dione, 14 kDa peptide of ubiquinol-cytochrome c2 oxidoreductase complex, ...
著者Xia, D, Zhou, F, Esser, L, Huang, R.
登録日2022-01-18
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献Conformation Switch of Rieske ISP subunit is revealed by the Crystal Structure of Bacterial Cytochrome bc1 in Complex with Azoxystrobin
to be published
7R6G
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Crystal structure of DfrA5 dihydrofolate reductase in complex with TRIMETHOPRIM and NADPH
分子名称: Dihydrofolate reductase type 5, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
著者Estrada, A, Wright, D, Krucinska, J, Erlandsen, H.
登録日2021-06-22
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
2KHA
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Solution Structure of a Pathogen Recognition Domain from a Lepidopteran Insect, Plodia interpunctella
分子名称: Beta-1,3-glucan-binding protein
著者Dai, H, Hiromasa, Y, Fabrick, J, Vandervelde, D, Kanost, M, Krishnamoorthi, R.
登録日2009-03-29
公開日2010-03-16
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献An initial event in the insect innate immune response: structural and biological studies of interactions between beta-1,3-glucan and the N-terminal domain of beta-1,3-glucan recognition protein
Biochemistry, 52, 2013
3BS4
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Crystal structure of uncharacterized protein PH0321 from Pyrococcus horikoshii in complex with an unknown peptide
分子名称: Uncharacterized protein PH0321, Unknown peptide
著者Bonanno, J.B, Freeman, J, Bain, K.T, Hu, S, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-12-21
公開日2008-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of uncharacterized protein PH0321 from Pyrococcus horikoshii in complex with an unknown peptide.
To be Published
3BYI
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Crystal structure of human Rho GTPase activating protein 15 (ARHGAP15)
分子名称: Rho GTPase activating protein 15
著者Shrestha, L, Tickle, J, Elkins, J, Burgess-Brown, N, Johansson, C, Papagrigoriou, E, Kavanagh, K, Pike, A.C.W, Ugochukwu, E, Uppenberg, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Doyle, D, Structural Genomics Consortium (SGC)
登録日2008-01-16
公開日2008-02-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of Human Rho GTPase Activating Protein 15 (ARHGAP15).
To be Published
3C97
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Crystal structure of the response regulator receiver domain of a signal transduction histidine kinase from Aspergillus oryzae
分子名称: Signal transduction histidine kinase
著者Bonanno, J.B, Freeman, J, Bain, K.T, Chang, S, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-02-15
公開日2008-03-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the response regulator receiver domain of a signal transduction histidine kinase from Aspergillus oryzae.
To be Published
3BKM
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Structure of anti-amyloid-beta Fab WO2 (Form A, P212121)
分子名称: SODIUM ION, WO2 IgG2a Fab fragment Heavy Chain, WO2 IgG2a Fab fragment Light Chain Kappa, ...
著者Miles, L.A, Wun, K.S, Crespi, G.A, Fodero-Tavoletti, M, Galatis, D, Bageley, C.J, Beyreuther, K, Masters, C.L, Cappai, R, McKinstry, W.J, Barnham, K.J, Parker, M.W.
登録日2007-12-07
公開日2008-04-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Amyloid-beta-anti-amyloid-beta complex structure reveals an extended conformation in the immunodominant B-cell epitope.
J.Mol.Biol., 377, 2008
2WQB
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Structure of the Tie2 kinase domain in complex with a thiazolopyrimidine inhibitor
分子名称: 2-[3-(CYCLOHEXYLMETHYL)-5-PHENYL-IMIDAZOL-4-YL]-[1,3]THIAZOLO[4,5-E]PYRIMIDIN-7-AMINE, ANGIOPOIETIN-1 RECEPTOR
著者Brassington, C, Breed, J, Buttar, D, Fitzek, M, Forder, C, Hassall, L, Hayter, B.R, Jones, C.D, Luke, R.W.A, McCall, E, McCoull, W, Norman, R, Paterson, D, McMiken, H, Rowsell, S, Tucker, J.A.
登録日2009-08-18
公開日2009-11-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Novel Thienopyrimidine and Thiazolopyrimidine Kinase Inhibitors with Activity Against Tie-2 in Vitro and in Vivo.
Bioorg.Med.Chem.Lett., 19, 2009

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