8A4U
 
 | | Crystal structure of human cathepsin L with CAA0225 | | 分子名称: | (2S,3S)-N3-[2-(4-hydroxyphenyl)ethyl]-N2-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]oxirane-2,3-dicarboxamide, 1,2-ETHANEDIOL, Cathepsin L, ... | | 著者 | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | 登録日 | 2022-06-13 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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4X8D
 | | Ergothioneine-biosynthetic sulfoxide synthase EgtB in complex with N,N-dimethyl-histidine and gamma-glutamyl-cysteine | | 分子名称: | CALCIUM ION, CHLORIDE ION, GAMMA-GLUTAMYLCYSTEINE, ... | | 著者 | Vit, A, Goncharenko, K.V, Blankenfeldt, W, Seebeck, F.P. | | 登録日 | 2014-12-10 | | 公開日 | 2015-01-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4X3X
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8A5B
 | | Crystal structure of human cathepsin L in complex with covalently bound MG-101 | | 分子名称: | Calpain Inhibitor I, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | 登録日 | 2022-06-14 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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6Z1Z
 | | Structure of the anti-CD9 nanobody 4C8 | | 分子名称: | Nanobody 4C8 | | 著者 | Neviani, N, Oosterheert, W, Pearce, N.M, Lutz, M, Kroon-Batenburg, L.M.J, Gros, P. | | 登録日 | 2020-05-14 | | 公開日 | 2020-09-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Implications for tetraspanin-enriched microdomain assembly based on structures of CD9 with EWI-F.
Life Sci Alliance, 3, 2020
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7ZVF
 | | Crystal structure of human cathepsin L in complex with covalently bound CLIK148 | | 分子名称: | (2S)-N-[(2S)-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-N'-(2-pyridin-2-ylethyl)butanediamide, 1,2-ETHANEDIOL, Cathepsin L, ... | | 著者 | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Tsuge, H, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | 登録日 | 2022-05-15 | | 公開日 | 2023-11-29 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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4X1G
 | | Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol and the pesticide trans-nonachlor | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Ethinyl estradiol, ISOPROPYL ALCOHOL, ... | | 著者 | Delfosse, V, Huet, T, Bourguet, W. | | 登録日 | 2014-11-24 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
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2BGR
 | | Crystal structure of HIV-1 Tat derived nonapeptides Tat(1-9) bound to the active site of Dipeptidyl peptidase IV (CD26) | | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Weihofen, W.A, Liu, J, Reutter, W, Saenger, W, Fan, H. | | 登録日 | 2005-01-04 | | 公開日 | 2005-01-27 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structures of HIV-1 Tat-Derived Nonapeptides Tat-(1-9) and Trp2-Tat-(1-9) Bound to the Active Site of Dipeptidyl-Peptidase Iv (Cd26)
J.Biol.Chem., 280, 2005
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6NTS
 | | Protein Phosphatase 2A (Aalpha-B56alpha-Calpha) holoenzyme in complex with a Small Molecule Activator of PP2A (SMAP) | | 分子名称: | MANGANESE (II) ION, N-[(1R,2R,3S)-2-hydroxy-3-(10H-phenoxazin-10-yl)cyclohexyl]-4-(trifluoromethoxy)benzene-1-sulfonamide, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit alpha isoform, ... | | 著者 | Huang, W, Taylor, D. | | 登録日 | 2019-01-30 | | 公開日 | 2020-05-06 | | 最終更新日 | 2023-11-15 | | 実験手法 | ELECTRON MICROSCOPY (3.63 Å) | | 主引用文献 | Selective PP2A Enhancement through Biased Heterotrimer Stabilization.
Cell, 181, 2020
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4WI4
 | | Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation S254A | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region | | 著者 | Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A. | | 登録日 | 2014-09-25 | | 公開日 | 2015-09-30 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice
To Be Published
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4WI9
 | | Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation I253A/H310A | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region, ... | | 著者 | Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A. | | 登録日 | 2014-09-25 | | 公開日 | 2015-09-30 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice
To Be Published
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4WK2
 | | Metal Ion and Ligand Binding of Integrin | | 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, CALCIUM ION, ... | | 著者 | Xia, W, Springer, T.A. | | 登録日 | 2014-10-01 | | 公開日 | 2014-12-03 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Metal ion and ligand binding of integrin alpha 5 beta 1.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4WKU
 | | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ | | 分子名称: | Acyl-homoserine lactone acylase PvdQ, GLYCEROL, hexyl(trihydroxy)borate(1-) | | 著者 | Wu, R, Clevenger, K.D, Fast, W, Liu, D. | | 登録日 | 2014-10-03 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ.
Biochemistry, 53, 2014
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3CYS
 | | DETERMINATION OF THE NMR SOLUTION STRUCTURE OF THE CYCLOPHILIN A-CYCLOSPORIN A COMPLEX | | 分子名称: | CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | | 著者 | Spitzfaden, C, Braun, W, Wider, G, Widmer, H, Wuthrich, K. | | 登録日 | 1994-02-28 | | 公開日 | 1994-08-31 | | 最終更新日 | 2017-11-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Determination of the NMR Solution Structure of the Cyclophilin A-Cyclosporin a Complex.
J.Biomol.NMR, 4, 1994
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4WOP
 | | Nucleotide Triphosphate Promiscuity in Mycobacterium tuberculosis Dethiobiotin Synthetase | | 分子名称: | ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-TRIPHOSPHATE, SULFATE ION | | 著者 | Salaemae, W, Yap, M.Y, Wegener, K.L, Booker, G.W, Wilce, M.C.J, Polyak, S.W. | | 登録日 | 2014-10-16 | | 公開日 | 2015-04-08 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.393 Å) | | 主引用文献 | Nucleotide triphosphate promiscuity in Mycobacterium tuberculosis dethiobiotin synthetase.
Tuberculosis (Edinb), 95, 2015
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4WQ6
 | | The crystal structure of human Nicotinamide phosphoribosyltransferase (NAMPT) in complex with N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide inhibitor (compound 21) | | 分子名称: | 1,2-ETHANEDIOL, N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | 著者 | Li, D, Wang, W. | | 登録日 | 2014-10-21 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent inhibition and improved aqueous solubility.
Bioorg.Med.Chem.Lett., 25, 2015
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4WWW
 | | Crystal structure of the E. coli ribosome bound to CEM-101 | | 分子名称: | (3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-1-{4-[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]butyl}-4-ethyl-7-fluoro-11-methoxy-3a ,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside, 16S rRNA, 23S rRNA, ... | | 著者 | Dunkle, J.A, Zhang, W, Cate, J.H.D, Mankin, A.S. | | 登録日 | 2014-11-12 | | 公開日 | 2014-12-24 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Binding and action of CEM-101, a new fluoroketolide antibiotic that inhibits protein synthesis.
Antimicrob. Agents Chemother., 54, 2010
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4WZU
 | | Crystal structure of beta-ketoacyl-(acyl carrier protein) synthase III-2 (FabH2) from Vibrio cholerae | | 分子名称: | 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2, SODIUM ION | | 著者 | Hou, J, Chruszcz, M, Zheng, H, Cooper, D.R, Chordia, M.D, Zimmerman, M.D, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2014-11-20 | | 公開日 | 2014-12-03 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Structural and enzymatic studies of beta-ketoacyl-(acyl carrier protein) synthase III (FabH) from Vibrio cholerae
To Be Published
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4WJI
 | | Crystal structure of cyclohexadienyl dehydrogenase from Sinorhizobium meliloti in complex with NADP and tyrosine | | 分子名称: | CHLORIDE ION, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Shabalin, I.G, Cooper, D.R, Hou, J, Zimmerman, M.D, Stead, M, Hillerich, B.S, Ahmed, M, Hammonds, J, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2014-09-30 | | 公開日 | 2014-10-22 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Crystal structure of cyclohexadienyl dehydrogenase from Sinorhizobium meliloti in complex with NADP
to be published
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4WK4
 | | Metal Ion and Ligand Binding of Integrin | | 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, ALA-CYS-ARG-GLY-ASP-GLY-TRP-CYS, ... | | 著者 | Xia, W, Springer, T.A. | | 登録日 | 2014-10-01 | | 公開日 | 2014-12-03 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Metal ion and ligand binding of integrin alpha 5 beta 1.
Proc.Natl.Acad.Sci.USA, 111, 2014
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6Z1V
 | | Structure of the EC2 domain of CD9 in complex with nanobody 4E8 | | 分子名称: | 1,2-ETHANEDIOL, ACETIC ACID, CD9 antigen, ... | | 著者 | Oosterheert, W, Pearce, N.M, Gros, P. | | 登録日 | 2020-05-14 | | 公開日 | 2020-09-23 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Implications for tetraspanin-enriched microdomain assembly based on structures of CD9 with EWI-F.
Life Sci Alliance, 3, 2020
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6Z20
 | | Structure of the EC2 domain of CD9 in complex with nanobody 4C8 | | 分子名称: | CD9 antigen, CHLORIDE ION, GLYCEROL, ... | | 著者 | Oosterheert, W, Manshande, J, Pearce, N.M, Lutz, M, Gros, P. | | 登録日 | 2020-05-14 | | 公開日 | 2020-09-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Implications for tetraspanin-enriched microdomain assembly based on structures of CD9 with EWI-F.
Life Sci Alliance, 3, 2020
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4WRR
 | | A putative diacylglycerol kinase from Bacillus anthracis str. Sterne | | 分子名称: | MAGNESIUM ION, putative diacylglycerol kinase | | 著者 | Hou, J, Zheng, H, Cooper, D.R, Zimmerman, M.D, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2014-10-24 | | 公開日 | 2014-11-05 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Crystal structure of a putative diacylglycerol kinase from Bacillus anthracis str. Sterne
to be published
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4WQ5
 | | YgjD(V85E)-YeaZ heterodimer in complex with ATP | | 分子名称: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, FE (III) ION, ... | | 著者 | Zhang, W. | | 登録日 | 2014-10-21 | | 公開日 | 2015-01-28 | | 最終更新日 | 2015-02-25 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | The ATP-mediated formation of the YgjD-YeaZ-YjeE complex is required for the biosynthesis of tRNA t6A in Escherichia coli.
Nucleic Acids Res., 43, 2015
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4X0O
 | | Beta-ketoacyl-(acyl carrier protein) synthase III-2 (FabH2) from Vibrio cholerae soaked with Acetyl-CoA | | 分子名称: | 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2, COENZYME A, MALONATE ION, ... | | 著者 | Hou, J, Chruszcz, M, Zheng, H, Cooper, D.R, Chordia, M.D, Zimmerman, M.D, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2014-11-21 | | 公開日 | 2014-12-03 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural and enzymatic studies of beta-ketoacyl-(acyl carrier protein) synthase III (FabH) from Vibrio cholerae
to be published
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