6TCU
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![BU of 6tcu by Molmil](/molmil-images/mine/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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1KQP
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![BU of 1kqp by Molmil](/molmil-images/mine/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
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![BU of 7npx by Molmil](/molmil-images/mine/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
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![BU of 6zlb by Molmil](/molmil-images/mine/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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1E2O
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![BU of 1e2o by Molmil](/molmil-images/mine/1e2o) | CATALYTIC DOMAIN FROM DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE | 分子名称: | DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE, SULFATE ION | 著者 | Knapp, J.E, Mitchell, D.T, Yazdi, M.A, Ernst, S.R, Reed, L.J, Hackert, M.L. | 登録日 | 1998-05-26 | 公開日 | 1998-12-02 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Crystal structure of the truncated cubic core component of the Escherichia coli 2-oxoglutarate dehydrogenase multienzyme complex. J.Mol.Biol., 280, 1998
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6ZST
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![BU of 6zst by Molmil](/molmil-images/mine/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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6ZP3
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![BU of 6zp3 by Molmil](/molmil-images/mine/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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6ZLP
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![BU of 6zlp by Molmil](/molmil-images/mine/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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7B02
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![BU of 7b02 by Molmil](/molmil-images/mine/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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1PBF
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![BU of 1pbf by Molmil](/molmil-images/mine/1pbf) | CRYSTAL STRUCTURES OF WILD-TYPE P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-AMINOBENZOATE, 2,4-DIHYDROXYBENZOATE AND 2-HYDROXY-4-AMINOBENZOATE AND OF THE TRY222ALA MUTANT, COMPLEXED WITH 2-HYDROXY-4-AMINOBENZOATE. EVIDENCE FOR A PROTON CHANNEL AND A NEW BINDING MODE OF THE FLAVIN RING | 分子名称: | 2-HYDROXY-4-AMINOBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE | 著者 | Schreuder, H.A, Van Der Bolt, F.J.T, Van Berkel, W.J.H. | 登録日 | 1994-07-06 | 公開日 | 1994-09-30 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal structures of wild-type p-hydroxybenzoate hydroxylase complexed with 4-aminobenzoate,2,4-dihydroxybenzoate, and 2-hydroxy-4-aminobenzoate and of the Tyr222Ala mutant complexed with 2-hydroxy-4-aminobenzoate. Evidence for a proton channel and a new binding mode of the flavin ring Biochemistry, 33, 1994
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1PBC
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![BU of 1pbc by Molmil](/molmil-images/mine/1pbc) | CRYSTAL STRUCTURES OF WILD-TYPE P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-AMINOBENZOATE, 2,4-DIHYDROXYBENZOATE AND 2-HYDROXY-4-AMINOBENZOATE AND OF THE TRY222ALA MUTANT, COMPLEXED WITH 2-HYDROXY-4-AMINOBENZOATE. EVIDENCE FOR A PROTON CHANNEL AND A NEW BINDING MODE OF THE FLAVIN RING | 分子名称: | 2-HYDROXY-4-AMINOBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE | 著者 | Schreuder, H.A, Van Der Bolt, F.J.T, Van Berkel, W.J.H. | 登録日 | 1994-07-06 | 公開日 | 1994-09-30 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal structures of wild-type p-hydroxybenzoate hydroxylase complexed with 4-aminobenzoate,2,4-dihydroxybenzoate, and 2-hydroxy-4-aminobenzoate and of the Tyr222Ala mutant complexed with 2-hydroxy-4-aminobenzoate. Evidence for a proton channel and a new binding mode of the flavin ring Biochemistry, 33, 1994
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1IUS
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![BU of 1ius by Molmil](/molmil-images/mine/1ius) | P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-AMINOBENZOATE AT PH 5.0 | 分子名称: | 4-AMINOBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE | 著者 | Gatti, D.L, Entsch, B, Ballou, D.P, Ludwig, M.L. | 登録日 | 1995-11-22 | 公開日 | 1996-04-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | pH-dependent structural changes in the active site of p-hydroxybenzoate hydroxylase point to the importance of proton and water movements during catalysis. Biochemistry, 35, 1996
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1IUW
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![BU of 1iuw by Molmil](/molmil-images/mine/1iuw) | P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-4-HYDROXYBENZOATE AT PH 7.4 | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID | 著者 | Gatti, D.L, Entsch, B, Ballou, D.P, Ludwig, M.L. | 登録日 | 1995-11-22 | 公開日 | 1996-07-11 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | pH-dependent structural changes in the active site of p-hydroxybenzoate hydroxylase point to the importance of proton and water movements during catalysis. Biochemistry, 35, 1996
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1PDH
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![BU of 1pdh by Molmil](/molmil-images/mine/1pdh) | |
1IUV
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![BU of 1iuv by Molmil](/molmil-images/mine/1iuv) | P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-4-HYDROXYBENZOATE AT PH 5.0 | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID | 著者 | Gatti, D.L, Entsch, B, Ballou, D.P, Ludwig, M.L. | 登録日 | 1995-11-22 | 公開日 | 1996-06-20 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | pH-dependent structural changes in the active site of p-hydroxybenzoate hydroxylase point to the importance of proton and water movements during catalysis. Biochemistry, 35, 1996
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1IUU
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![BU of 1iuu by Molmil](/molmil-images/mine/1iuu) | P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-AMINOBENZOATE AT PH 9.4 | 分子名称: | 4-AMINOBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE | 著者 | Gatti, D.L, Entsch, B, Ballou, D.P, Ludwig, M.L. | 登録日 | 1995-11-22 | 公開日 | 1996-04-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | pH-dependent structural changes in the active site of p-hydroxybenzoate hydroxylase point to the importance of proton and water movements during catalysis. Biochemistry, 35, 1996
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1IUX
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![BU of 1iux by Molmil](/molmil-images/mine/1iux) | P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-4-HYDROXYBENZOATE AT PH 9.4 | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID | 著者 | Gatti, D.L, Entsch, B, Ballou, D.P, Ludwig, M.L. | 登録日 | 1995-11-22 | 公開日 | 1996-07-11 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | pH-dependent structural changes in the active site of p-hydroxybenzoate hydroxylase point to the importance of proton and water movements during catalysis. Biochemistry, 35, 1996
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1IUT
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![BU of 1iut by Molmil](/molmil-images/mine/1iut) | P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-AMINOBENZOATE AT PH 7.4 | 分子名称: | 4-AMINOBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE | 著者 | Gatti, D.L, Entsch, B, Ballou, D.P, Ludwig, M.L. | 登録日 | 1995-11-22 | 公開日 | 1996-04-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | pH-dependent structural changes in the active site of p-hydroxybenzoate hydroxylase point to the importance of proton and water movements during catalysis. Biochemistry, 35, 1996
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