5Y8F
 
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6XB7
 | | IRES-targeting Small Molecule Inhibits Enterovirus 71 Replication via Allosteric Stabilization of a Ternary Complex | | 分子名称: | 3-amino-N-(diaminomethylidene)-5-(dimethylamino)-6-(phenylethynyl)pyrazine-2-carboxamide, RNA (41-MER) | | 著者 | Tolbert, B.S, Davila, J, Sugarman, A.L, Chiu, L.Y. | | 登録日 | 2020-06-05 | | 公開日 | 2020-09-02 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | IRES-targeting small molecule inhibits enterovirus 71 replication via allosteric stabilization of a ternary complex.
Nat Commun, 11, 2020
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4U1F
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3AT5
 | | Side-necked turtle (Pleurodira, Chelonia, REPTILIA) hemoglobin: cDNA-derived primary structures and X-ray crystal structures of Hb A | | 分子名称: | AlphaA-globin, Beta-globin, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Hasegawa, T, Shishikura, F, Kuwada, T. | | 登録日 | 2010-12-26 | | 公開日 | 2011-04-20 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Side-necked turtle (Pleurodira, Chelonia, reptilia) hemoglobin: cDNA-derived primary structures and X-ray crystal structures of Hb A.
Iubmb Life, 63, 2011
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3AT6
 | | Side-necked turtle (Pleurodira, Chelonia, REPTILIA) hemoglobin: cDNA-derived primary structures and X-ray crystal structures of Hb A | | 分子名称: | AlphaA-globin, Beta-globin, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Hasegawa, T, Shishikura, F, Kuwada, T. | | 登録日 | 2010-12-26 | | 公開日 | 2011-04-20 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Side-necked turtle (Pleurodira, Chelonia, reptilia) hemoglobin: cDNA-derived primary structures and X-ray crystal structures of Hb A.
Iubmb Life, 63, 2011
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5WII
 | | TraE protein in complex with 2-Chloroisonicotinic Acid | | 分子名称: | 2-chloropyridine-4-carboxylic acid, Conjugal transfer protein | | 著者 | Casu, B, Arya, T, Bessette, B, Baron, C. | | 登録日 | 2017-07-19 | | 公開日 | 2017-11-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Fragment-based screening identifies novel targets for inhibitors of conjugative transfer of antimicrobial resistance by plasmid pKM101.
Sci Rep, 7, 2017
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5WIP
 | | TraE protein in complex with 2-(2-furyl)isonicotinic acid | | 分子名称: | 2-(furan-2-yl)pyridine-4-carboxylic acid, Conjugal transfer protein | | 著者 | Casu, B, Arya, T, Bessette, B, Baron, C. | | 登録日 | 2017-07-19 | | 公開日 | 2017-11-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Fragment-based screening identifies novel targets for inhibitors of conjugative transfer of antimicrobial resistance by plasmid pKM101.
Sci Rep, 7, 2017
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5G0T
 | | InhA in complex with a DNA encoded library hit | | 分子名称: | 1-benzyl-N-[cis-4-(2-{[(4-fluorophenyl)methyl][2-(methylamino)-2-oxoethyl]amino}-2-oxoethyl)cyclohexyl]-5-methyl-1H-1,2,3-triazole-4-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Read, J.A, Breed, J. | | 登録日 | 2016-03-22 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
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5WIO
 | | TraE protein in complex with 4-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid | | 分子名称: | 4-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid, Conjugal transfer protein | | 著者 | Casu, B, Arya, T, Bessette, B, Baron, C. | | 登録日 | 2017-07-19 | | 公開日 | 2017-11-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Fragment-based screening identifies novel targets for inhibitors of conjugative transfer of antimicrobial resistance by plasmid pKM101.
Sci Rep, 7, 2017
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5G0U
 | | InhA in complex with a DNA encoded library hit | | 分子名称: | 5-[(4-fluoranyl-3-phenoxy-phenyl)methylamino]-~{N}-methyl-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Read, J.A, Breed, J. | | 登録日 | 2016-03-22 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
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5WIC
 | | TraE protein in complex with 2-Furoic Acid (FOA) | | 分子名称: | 2-FUROIC ACID, Conjugal transfer protein | | 著者 | Casu, B, Arya, T, Bessette, B, Baron, C. | | 登録日 | 2017-07-19 | | 公開日 | 2017-11-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Fragment-based screening identifies novel targets for inhibitors of conjugative transfer of antimicrobial resistance by plasmid pKM101.
Sci Rep, 7, 2017
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1KTG
 | | Crystal Structure of a C. elegans Ap4A Hydrolase Binary Complex | | 分子名称: | ADENOSINE MONOPHOSPHATE, Diadenosine Tetraphosphate Hydrolase, HYDROXIDE ION, ... | | 著者 | Bailey, S, Sedelnikova, S.E, Blackburn, G.M, Abdelghany, H.M, Baker, P.J, McLennan, A.G, Rafferty, J.B. | | 登録日 | 2002-01-16 | | 公開日 | 2002-05-08 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The crystal structure of diadenosine tetraphosphate hydrolase from Caenorhabditis elegans in free and binary complex forms
Structure, 10, 2002
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5XC6
 | | Dengue Virus 4 NS3 Helicase in complex with SSRNA SLA12 | | 分子名称: | NS3 Helicase, PHOSPHATE ION, RNA (5'-R(*AP*GP*UP*UP*GP*UP*UP*AP*GP*UP*CP*U)-3') | | 著者 | Swarbrick, C.M.D, Basavannacharya, C, Chan, K.W.K, Chan, S.A, Singh, D, Wei, N, Phoo, W.W, Luo, D, Lescar, J, Vasudevan, S.G. | | 登録日 | 2017-03-22 | | 公開日 | 2017-11-08 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | NS3 helicase from dengue virus specifically recognizes viral RNA sequence to ensure optimal replication
Nucleic Acids Res., 45, 2017
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1X3E
 | | Crystal structure of the single-stranded DNA-binding protein from Mycobacterium smegmatis | | 分子名称: | CADMIUM ION, Single-strand binding protein | | 著者 | Saikrishnan, K, Manjunath, G.P, Singh, P, Jeyakanthan, J, Dauter, Z, Sekar, K, Muniyappa, K, Vijayan, M. | | 登録日 | 2005-05-04 | | 公開日 | 2005-08-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structure of Mycobacterium smegmatis single-stranded DNA-binding protein and a comparative study involving homologus SSBs: biological implications of structural plasticity and variability in quaternary association.
Acta Crystallogr.,Sect.D, 61, 2005
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5XC7
 | | Dengue Virus 4 NS3 Helicase D290A mutant | | 分子名称: | CHLORIDE ION, GLYCEROL, NS3 Helicase | | 著者 | Swarbrick, C.M.D, Basavannacharya, C, Chan, K.W.K, Chan, S.A, Singh, D, Wei, N, Phoo, W.W, Luo, D, Lescar, J, Vasudevan, S.G. | | 登録日 | 2017-03-22 | | 公開日 | 2017-11-08 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | NS3 helicase from dengue virus specifically recognizes viral RNA sequence to ensure optimal replication
Nucleic Acids Res., 45, 2017
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5G0S
 | | InhA in complex with a DNA encoded library hit | | 分子名称: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-[4-[2-[(2S)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Read, J.A, Breed, J. | | 登録日 | 2016-03-22 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
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1X3G
 | | Crystal structure of the single-stranded DNA-binding protein from Mycobacterium SMEGMATIS | | 分子名称: | CADMIUM ION, Single-strand binding protein | | 著者 | Saikrishnan, K, Manjunath, G.P, Singh, P, Jeyakanthan, J, Dauter, Z, Sekar, K, Muniyappa, K, Vijayan, M. | | 登録日 | 2005-05-05 | | 公開日 | 2005-08-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure of Mycobacterium smegmatis single-stranded DNA-binding protein and a comparative study involving homologus SSBs: biological implications of structural plasticity and variability in quaternary association.
Acta Crystallogr.,Sect.D, 61, 2005
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5G0V
 | | InhA in complex with a DNA encoded library hit | | 分子名称: | ENOYL-ACYL CARRIER PROTEIN REDUCTASE, MAGNESIUM ION, N-[2-(methylamino)-2-oxidanylidene-ethyl]-2-(4-pyrazol-1-ylphenyl)-N-(1-pyridin-2-ylpiperidin-4-yl)ethanamide, ... | | 著者 | Read, J.A, Breed, J. | | 登録日 | 2016-03-22 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
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7CYL
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5HYG
 | | CmlI (peroxo bound state), arylamine oxygenase of chloramphenicol biosynthetic pathway | | 分子名称: | FE (III) ION, HYDROGEN PEROXIDE, L(+)-TARTARIC ACID, ... | | 著者 | Knoot, C.J, Lipscomb, J.D. | | 登録日 | 2016-02-01 | | 公開日 | 2016-06-08 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Crystal structure of CmlI, the arylamine oxygenase from the chloramphenicol biosynthetic pathway.
J.Biol.Inorg.Chem., 21, 2016
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5HYH
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1X3F
 | | Crystal structure of the single-stranded DNA-binding protein from Mycobacterium SMEGMATIS | | 分子名称: | CADMIUM ION, Single-strand binding protein | | 著者 | Saikrishnan, K, Manjunath, G.P, Singh, P, Jeyakanthan, J, Dauter, Z, Sekar, K, Muniyappa, K, Vijayan, M. | | 登録日 | 2005-05-05 | | 公開日 | 2005-08-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structure of Mycobacterium smegmatis single-stranded DNA-binding protein and a comparative study involving homologus SSBs: biological implications of structural plasticity and variability in quaternary association.
Acta Crystallogr.,Sect.D, 61, 2005
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5G0W
 | | InhA in complex with a DNA encoded library hit | | 分子名称: | (2S,4S)-N-methyl-4-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbonylamino]butanoyl]amino]-1-(phenylcarbonyl)pyrrolidine-2-carboxamide, ENOYL-ACYL CARRIER PROTEIN REDUCTASE, MAGNESIUM ION, ... | | 著者 | Read, J.A, Breed, J. | | 登録日 | 2016-03-22 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
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3V1U
 | | Crystal structure of a beta-ketoacyl reductase FabG4 from Mycobacterium tuberculosis H37Rv complexed with NAD+ and Hexanoyl-CoA at 2.5 Angstrom resolution | | 分子名称: | (2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-PENTAMETHYL-4,7,10,13,16,19-HEXAOXADOCOSANE-2,21-DIOL, 3-oxoacyl-(Acyl-carrier-protein) reductase, HEXANOYL-COENZYME A, ... | | 著者 | Dutta, D, Bhattacharyya, S, Das, A.K. | | 登録日 | 2011-12-10 | | 公開日 | 2012-11-28 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of hexanoyl-CoA bound to beta-ketoacyl reductase FabG4 of Mycobacterium tuberculosis
Biochem.J., 450, 2013
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3W0R
 | | Crystal structure of a thermostable mutant of aminoglycoside phosphotransferase APH(4)-Ia (N202A), ternary complex with AMP-PNP and hygromycin B | | 分子名称: | HYGROMYCIN B VARIANT, Hygromycin-B 4-O-kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | 著者 | Iino, D, Takakura, Y, Fukano, K, Sasaki, Y, Hoshino, T, Ohsawa, K, Nakamura, A, Yajima, S. | | 登録日 | 2012-11-02 | | 公開日 | 2013-08-07 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structures of the ternary complex of APH(4)-Ia/Hph with hygromycin B and an ATP analog using a thermostable mutant.
J.Struct.Biol., 183, 2013
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