9NSC
 
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9NST
 | | Bacterial Pictet-Spenglerase KslB in complex with product of L-Trp and a-ketoglutaric acid | | 分子名称: | (1~{S},3~{S})-1-(3-hydroxy-3-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3-dicarboxylic acid, Pictet-Spenglerase | | 著者 | Kim, K, Kim, W. | | 登録日 | 2025-03-17 | | 公開日 | 2025-04-23 | | 最終更新日 | 2025-06-18 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Structural and mechanistic insights into KslB, a bacterial Pictet-Spenglerase in kitasetaline biosynthesis.
Rsc Chem Biol, 6, 2025
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9NSS
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9NS6
 | | KslB apoenzyme | | 分子名称: | Pictet-Spenglerase | | 著者 | Kim, K, Kim, W. | | 登録日 | 2025-03-16 | | 公開日 | 2025-04-23 | | 最終更新日 | 2025-06-18 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Structural and mechanistic insights into KslB, a bacterial Pictet-Spenglerase in kitasetaline biosynthesis.
Rsc Chem Biol, 6, 2025
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9NSU
 | | Bacterial Pictet-Spenglerase KslB in complex with product of L-Trp and succinic semialdehyde | | 分子名称: | (1S,3S)-1-(2-carboxyethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid, Pictet-Spenglerase | | 著者 | Kim, K, Kim, W. | | 登録日 | 2025-03-17 | | 公開日 | 2025-04-23 | | 最終更新日 | 2025-06-18 | | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | | 主引用文献 | Structural and mechanistic insights into KslB, a bacterial Pictet-Spenglerase in kitasetaline biosynthesis.
Rsc Chem Biol, 6, 2025
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4OPN
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6LAT
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6PKA
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6PRT
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6PS9
 | | Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 17 (5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one) | | 分子名称: | 5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one, Bromodomain-containing protein 4 | | 著者 | Ilyichova, O.V, Scanlon, M.J. | | 登録日 | 2019-07-12 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Synthesis and elaboration of N-methylpyrrolidone as an acetamide fragment substitute in bromodomain inhibition.
Bioorg.Med.Chem., 27, 2019
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6PSB
 | | Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 18 (5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one) | | 分子名称: | 5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one, Bromodomain-containing protein 4 | | 著者 | Ilyichova, O.V, Scanlon, M.J. | | 登録日 | 2019-07-12 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Synthesis and elaboration of N-methylpyrrolidone as an acetamide fragment substitute in bromodomain inhibition.
Bioorg.Med.Chem., 27, 2019
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6PMD
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7SCP
 | | The crystal structure of ScoE in complex with intermediate | | 分子名称: | (3R)-3-(oxaloamino)butanoic acid, 1,2-ETHANEDIOL, FE (II) ION, ... | | 著者 | Cha, L, Chen, J, Zhou, J, Chang, W. | | 登録日 | 2021-09-28 | | 公開日 | 2022-03-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Deciphering the Reaction Pathway of Mononuclear Iron Enzyme-Catalyzed N-C Triple Bond Formation in Isocyanide Lipopeptide and Polyketide Biosynthesis
Acs Catalysis, 12, 2022
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3LKJ
 | | Small Molecule Inhibition of the TNF Family Cyokine CD40 Ligand Through a Subunit Fracture Mechanism | | 分子名称: | (2R)-{[(2'-[(biphenyl-3-ylmethyl)carbamoyl]-6'-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-6-{[(2R)-2-(1H-pyrrol-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-4,4'-bipyridin-2-yl)carbonyl]amino}(cyclohexyl)ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CD40 ligand | | 著者 | Silvian, L.F, Whitty, A. | | 登録日 | 2010-01-27 | | 公開日 | 2011-02-02 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Small Molecule Inhibition of the TNF Family Cytokine CD40 Ligand through a Subunit Fracture Mechanism.
Acs Chem.Biol., 6, 2011
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3MQ0
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6VUB
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6VUF
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6VUJ
 | | Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 15c (N,N-diethyl-3',4'-dimethoxy-6-(1-methyl-5-oxopyrrolidin-3-yl)-[1,1'-biphenyl]-3-sulfonamide) | | 分子名称: | Bromodomain-containing protein 4, N,N-diethyl-3',4'-dimethoxy-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl][1,1'-biphenyl]-3-sulfonamide, NITRATE ION | | 著者 | Ilyichova, O.V, Scanlon, M.J, Thompson, P.E. | | 登録日 | 2020-02-15 | | 公開日 | 2020-02-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Substituted 1-methyl-4-phenylpyrrolidin-2-ones - Fragment-based design of N-methylpyrrolidone-derived bromodomain inhibitors.
Eur.J.Med.Chem., 191, 2020
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6VUC
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1RCS
 | | NMR STUDY OF TRP REPRESSOR-OPERATOR DNA COMPLEX | | 分子名称: | DNA (5'-D(*CP*GP*TP*AP*CP*TP*AP*GP*TP*TP*AP*AP*CP*TP*AP*GP*TP*AP*CP*G)-3'), TRP REPRESSOR, TRYPTOPHAN | | 著者 | Zhao, D, Zheng, Z. | | 登録日 | 1995-05-12 | | 公開日 | 1996-06-20 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The solution structures of the trp repressor-operator DNA complex.
J.Mol.Biol., 238, 1994
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6CLV
 | | Staphylococcus aureus Dihydropteroate Synthase (saDHPS) F17L E208K double mutant structure | | 分子名称: | 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide, Dihydropteroate synthase | | 著者 | Gajewski, S, Griffith, E.C, Wu, Y, White, S.W. | | 登録日 | 2018-03-02 | | 公開日 | 2018-08-22 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The Structural and Functional Basis for Recurring Sulfa Drug Resistance Mutations inStaphylococcus aureusDihydropteroate Synthase.
Front Microbiol, 9, 2018
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4K3J
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6CLU
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5VZ2
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5W18
 | | Staphylococcus aureus ClpP in complex with (S)-N-((2R,6S,8aS,14aS,20S,23aS)-2,6-dimethyl-5,8,14,19,23-pentaoxooctadecahydro-1H,5H,14H,19H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1]oxa[4,7,10,13]tetraazacyclohexadecin-20-yl)-3-phenyl-2-(3-phenylureido)propanamide | | 分子名称: | 9V7-PHE-SER-PRO-YCP-ALA-MP8, ATP-dependent Clp protease proteolytic subunit | | 著者 | Lee, R.E, Griffith, E.C. | | 登録日 | 2017-06-02 | | 公開日 | 2017-08-09 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Ureadepsipeptides as ClpP Activators.
Acs Infect Dis., 2019
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