1HG8
| Endopolygalacturonase from the phytopathogenic fungus Fusarium moniliforme | 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, ENDOPOLYGALACTURONASE | 著者 | Federici, L, Caprari, C, Mattei, B, Savino, C, De Lorenzo, G, Cervone, F, Tsernoglou, D. | 登録日 | 2000-12-13 | 公開日 | 2001-11-10 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Structural Requirements of Endopolygalacturonase for the Interaction with Pgip (Polygalacturonase-Inhibiting Protein) Proc.Natl.Acad.Sci.USA, 98, 2001
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6TCU
| Glycogen synthase kinase-3 beta (GSK3b) in complex with ligand 1 | 分子名称: | 5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide, ACETATE ION, Glycogen synthase kinase-3 beta | 著者 | Lammens, A, Krapp, S, Buonfiglio, R, Ombrato, R. | 登録日 | 2019-11-06 | 公開日 | 2020-09-16 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Optimization of Indazole-Based GSK-3 Inhibitors with Mitigated hERG Issue andIn VivoActivity in a Mood Disorder Model. Acs Med.Chem.Lett., 11, 2020
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1BKW
| p-Hydroxybenzoate hydroxylase (phbh) mutant with cys116 replaced by ser (c116s) and arg44 replaced by lys (r44k), in complex with fad and 4-hydroxybenzoic acid | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID, PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE) | 著者 | Eppink, M.H, Schreuder, H.A, Van Berkel, W.J. | 登録日 | 1998-07-13 | 公開日 | 1998-07-22 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure and function of mutant Arg44Lys of 4-hydroxybenzoate hydroxylase implications for NADPH binding. Eur.J.Biochem., 231, 1995
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1BF3
| P-HYDROXYBENZOATE HYDROXYLASE (PHBH) MUTANT WITH CYS 116 REPLACED BY SER (C116S) AND ARG 42 REPLACED BY LYS (R42K), IN COMPLEX WITH FAD AND 4-HYDROXYBENZOIC ACID | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID | 著者 | Eppink, M.H.M, Schreuder, H.A, Van Berkel, W.J.H. | 登録日 | 1998-05-26 | 公開日 | 1998-08-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Lys42 and Ser42 variants of p-hydroxybenzoate hydroxylase from Pseudomonas fluorescens reveal that Arg42 is essential for NADPH binding. Eur.J.Biochem., 253, 1998
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1CC4
| PHE161 AND ARG166 VARIANTS OF P-HYDROXYBENZOATE HYDROXYLASE. IMPLICATIONS FOR NADPH RECOGNITION AND STRUCTURAL STABILITY. | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID, PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE) | 著者 | Eppink, M.H.M, Bunthof, C, Schreuder, H.A, Van Berkel, W.J.H. | 登録日 | 1999-03-04 | 公開日 | 1999-03-12 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Phe161 and Arg166 variants of p-hydroxybenzoate hydroxylase. Implications for NADPH recognition and structural stability. Febs Lett., 443, 1999
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1LHT
| LOGGERHEAD SEA TURTLE MYOGLOBIN (CYANO-MET) | 分子名称: | CYANIDE ION, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Nardini, M, Tarricone, C, Lania, A, Desideri, A, De Sanctis, G, Coletta, M, Petruzzelli, R, Ascenzi, P, Coda, A, Bolognesi, M. | 登録日 | 1995-02-01 | 公開日 | 1995-06-03 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Reptile heme protein structure: X-ray crystallographic study of the aquo-met and cyano-met derivatives of the loggerhead sea turtle (Caretta caretta) myoglobin at 2.0 A resolution. J.Mol.Biol., 247, 1995
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1LHS
| LOGGERHEAD SEA TURTLE MYOGLOBIN (AQUO-MET) | 分子名称: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Nardini, M, Tarricone, C, Lania, A, Desideri, A, De Sanctis, G, Coletta, M, Petruzzelli, R, Ascenzi, P, Coda, A, Bolognesi, M. | 登録日 | 1995-02-01 | 公開日 | 1995-06-03 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Reptile heme protein structure: X-ray crystallographic study of the aquo-met and cyano-met derivatives of the loggerhead sea turtle (Caretta caretta) myoglobin at 2.0 A resolution. J.Mol.Biol., 247, 1995
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1MBA
| APLYSIA LIMACINA MYOGLOBIN. CRYSTALLOGRAPHIC ANALYSIS AT 1.6 ANGSTROMS RESOLUTION | 分子名称: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Bolognesi, M, Onesti, S, Gatti, G, Coda, A, Ascenzi, P, Brunori, M. | 登録日 | 1989-02-22 | 公開日 | 1990-01-15 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Aplysia limacina myoglobin. Crystallographic analysis at 1.6 A resolution. J.Mol.Biol., 205, 1989
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1OJT
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1NSY
| CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS | 分子名称: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Rizzi, M, Nessi, C, Bolognesi, M, Galizzi, A, Coda, A. | 登録日 | 1996-07-22 | 公開日 | 1997-07-23 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of NH3-dependent NAD+ synthetase from Bacillus subtilis. EMBO J., 15, 1996
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7A7E
| Structure of a delta-N mutant - E232start - of PA1120 (TpbB or YfiN) from Pseudomonas aeruginosa (PAO1) comprising only the GGDEF domain | 分子名称: | Diguanylate cyclase TpbB, MAGNESIUM ION | 著者 | Giardina, G, Rinaldo, S, Mantoni, F, Brunotti, P. | 登録日 | 2020-08-28 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Studying GGDEF Domain in the Act: Minimize Conformational Frustration to Prevent Artefacts. Life, 11, 2021
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5LHI
| Structure of the KDM1A/CoREST complex with the inhibitor N-[3-(ethoxymethyl)-2-[[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | 著者 | Cecatiello, V, Pasqualato, S. | 登録日 | 2016-07-12 | 公開日 | 2017-02-22 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship. J. Med. Chem., 60, 2017
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8BXL
| Patulin Synthase from Penicillium expansum | 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, DI(HYDROXYETHYL)ETHER, ... | 著者 | Tjallinks, G, Boverio, A, Rozeboom, H.J, Fraaije, M.W. | 登録日 | 2022-12-09 | 公開日 | 2023-09-06 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure elucidation and characterization of patulin synthase, insights into the formation of a fungal mycotoxin. Febs J., 290, 2023
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5LHG
| Structure of the KDM1A/CoREST complex with the inhibitor 4-methyl-N-[4-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide | 分子名称: | 4-methyl-N-[4-[[4-[(1-methyl-4-piperidyl)oxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Cecatiello, V, Pasqualato, S. | 登録日 | 2016-07-11 | 公開日 | 2017-02-22 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.34 Å) | 主引用文献 | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship. J. Med. Chem., 60, 2017
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5LHH
| Structure of the KDM1A/CoREST complex with the inhibitor 4-ethyl-N-[3-(methoxymethyl)-2-[[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide | 分子名称: | 4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Cecatiello, V, Pasqualato, S. | 登録日 | 2016-07-11 | 公開日 | 2017-02-22 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship. J. Med. Chem., 60, 2017
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6IJL
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2NSY
| CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS IN COMPLEX WITH NAD-ADENYLATE | 分子名称: | ADENOSINE MONOPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | 著者 | Rizzi, M, Bolognesi, M, Coda, A. | 登録日 | 1998-07-14 | 公開日 | 1999-01-13 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A novel deamido-NAD+-binding site revealed by the trapped NAD-adenylate intermediate in the NAD+ synthetase structure. Structure, 6, 1998
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1FCS
| CRYSTAL STRUCTURE OF A DISTAL SITE DOUBLE MUTANT OF SPERM WHALE MYOGLOBIN AT 1.6 ANGSTROMS RESOLUTION | 分子名称: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | 著者 | Rizzi, M, Bolognesi, M, Coda, A, Cutruzzola, F, Travaglini Allocatelli, C, Brancaccio, A, Brunori, M. | 登録日 | 1993-04-20 | 公開日 | 1993-10-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal structure of a distal site double mutant of sperm whale myoglobin at 1.6 A resolution. FEBS Lett., 320, 1993
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1KQP
| NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS AT 1 A RESOLUTION | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, NH(3)-dependent NAD(+) synthetase, ... | 著者 | Symersky, J, Devedjiev, Y, Moore, K, Brouillette, C, DeLucas, L. | 登録日 | 2002-01-07 | 公開日 | 2002-06-28 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | 主引用文献 | NH3-dependent NAD+ synthetase from Bacillus subtilis at 1 A resolution. Acta Crystallogr.,Sect.D, 58, 2002
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7NPX
| Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 3-(3-Methoxyquinoxalin-2-yl)propanoic acid at 24 hours of soaking | 分子名称: | 3-(3-methoxyquinoxalin-2-yl)propanoic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | 登録日 | 2021-02-28 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021
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6ZLB
| Thioredoxin glutathione reductase from Schistosoma mansoni in complex with Indole-3-carbinol | 分子名称: | 1~{H}-indol-3-ylmethanol, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | 登録日 | 2020-06-30 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021
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6ZST
| Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 3-(3-methoxyquinoxalin-2-yl)propanoic acid | 分子名称: | 3-(3-methoxyquinoxalin-2-yl)propanoic acid, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | 登録日 | 2020-07-16 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021
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6ZLP
| Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 4-Aminopiazthiole | 分子名称: | 2,1,3-benzothiadiazol-4-amine, CALCIUM ION, DIMETHYL SULFOXIDE, ... | 著者 | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | 登録日 | 2020-06-30 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021
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6ZP3
| Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 2-Methylindole-3-acetic acid | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(2-methyl-1~{H}-indol-3-yl)ethanoic acid, CALCIUM ION, ... | 著者 | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | 登録日 | 2020-07-08 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021
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7B02
| Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid | 分子名称: | 4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | 登録日 | 2020-11-18 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021
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