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PDB: 775 件
5MJN
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BU of 5mjn by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 5-[(4Chlorobenzyl)sulfanyl]thiophene-2-sulfonamide
分子名称: 5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Leitans, J, Tars, K.
登録日2016-12-01
公開日2017-12-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献5-Substituted-benzylsulfanyl-thiophene-2-sulfonamides with effective carbonic anhydrase inhibitory activity: Solution and crystallographic investigations.
Bioorg. Med. Chem., 25, 2017
8VRE
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BU of 8vre by Molmil
Structure of PYCR1 complexed with NADH and N-formyl-L-proline
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-formyl-L-proline, Pyrroline-5-carboxylate reductase 1, ...
著者Tanner, J.J, Meeks, K.R.
登録日2024-01-21
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1)
Protein Sci., 33, 2024
6FE1
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BU of 6fe1 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide.
分子名称: 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 9, ZINC ION
著者Leitans, J, Tars, K.
登録日2017-12-28
公開日2018-07-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells.
Oncotarget, 9, 2018
5KF7
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BU of 5kf7 by Molmil
Structure of proline utilization A from Sinorhizobium meliloti complexed with L-tetrahydrofuroic acid and NAD+ in space group P3121
分子名称: Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
著者Tanner, J.J.
登録日2016-06-12
公開日2016-10-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of Proline Utilization A (PutA) Reveal the Fold and Functions of the Aldehyde Dehydrogenase Superfamily Domain of Unknown Function.
J.Biol.Chem., 291, 2016
6G98
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BU of 6g98 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
分子名称: 4-[2-[3-(cyclododecylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid, Carbonic anhydrase 9, ZINC ION
著者Leitans, J, Tars, K.
登録日2018-04-10
公開日2018-07-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells.
Oncotarget, 9, 2018
6O4E
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BU of 6o4e by Molmil
Structure of ALDH7A1 mutant N167S complexed with NAD
分子名称: Alpha-aminoadipic semialdehyde dehydrogenase, HEXAETHYLENE GLYCOL, MAGNESIUM ION, ...
著者Tanner, J.J, Korasick, D.A, Laciak, A.R.
登録日2019-02-28
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and biochemical consequences of pyridoxine-dependent epilepsy mutations that target the aldehyde binding site of aldehyde dehydrogenase ALDH7A1.
Febs J., 287, 2020
6O4F
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BU of 6o4f by Molmil
Structure of ALDH7A1 mutant N167S complexed with alpha-aminoadipate
分子名称: 1,2-ETHANEDIOL, 2-AMINOHEXANEDIOIC ACID, Alpha-aminoadipic semialdehyde dehydrogenase
著者Tanner, J.J, Korasick, D.A, Laciak, A.R.
登録日2019-02-28
公開日2019-07-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and biochemical consequences of pyridoxine-dependent epilepsy mutations that target the aldehyde binding site of aldehyde dehydrogenase ALDH7A1.
Febs J., 287, 2020
6O4H
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BU of 6o4h by Molmil
Structure of ALDH7A1 mutant A171V complexed with NAD
分子名称: 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Tanner, J.J, Korasick, D.A, Laciak, A.R.
登録日2019-02-28
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural and biochemical consequences of pyridoxine-dependent epilepsy mutations that target the aldehyde binding site of aldehyde dehydrogenase ALDH7A1.
Febs J., 287, 2020
6O4G
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BU of 6o4g by Molmil
Structure of ALDH7A1 mutant P169S complexed with alpha-aminoadipate
分子名称: 2-AMINOHEXANEDIOIC ACID, Alpha-aminoadipic semialdehyde dehydrogenase
著者Tanner, J.J, Korasick, D.A, Laciak, A.R.
登録日2019-02-28
公開日2019-07-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural and biochemical consequences of pyridoxine-dependent epilepsy mutations that target the aldehyde binding site of aldehyde dehydrogenase ALDH7A1.
Febs J., 287, 2020
6O4C
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BU of 6o4c by Molmil
Structure of ALDH7A1 mutant W175A complexed with NAD
分子名称: 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, CHLORIDE ION, ...
著者Tanner, J.J, Korasick, D.A, Laciak, A.R.
登録日2019-02-28
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and biochemical consequences of pyridoxine-dependent epilepsy mutations that target the aldehyde binding site of aldehyde dehydrogenase ALDH7A1.
Febs J., 287, 2020
6O4K
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BU of 6o4k by Molmil
Structure of ALDH7A1 mutant E399Q complexed with NAD
分子名称: 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, CHLORIDE ION, ...
著者Tanner, J.J, Korasick, D.A, Laciak, A.R.
登録日2019-02-28
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural analysis of pathogenic mutations targeting Glu427 of ALDH7A1, the hot spot residue of pyridoxine-dependent epilepsy.
J. Inherit. Metab. Dis., 43, 2020
8OO8
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BU of 8oo8 by Molmil
Three-Dimensional Structure of Human Carbonic Anhydrase II in Complex with a Covalent Inhibitor
分子名称: 3-(cyclooctylamino)-4-ethylsulfonyl-2,5,6-tris(fluoranyl)benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Leitans, J, Tars, K.
登録日2023-04-04
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Three-Dimensional Structure of Human Carbonic Anhydrase II in Complex with a Covalent Inhibitor
To Be Published
6O4I
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BU of 6o4i by Molmil
Structure of ALDH7A1 mutant E399D complexed with alpha-aminoadipate
分子名称: 1,2-ETHANEDIOL, 2-AMINOHEXANEDIOIC ACID, Alpha-aminoadipic semialdehyde dehydrogenase
著者Tanner, J.J, Korasick, D.A, Laciak, A.R.
登録日2019-02-28
公開日2019-11-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural analysis of pathogenic mutations targeting Glu427 of ALDH7A1, the hot spot residue of pyridoxine-dependent epilepsy.
J. Inherit. Metab. Dis., 43, 2020
6O4D
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BU of 6o4d by Molmil
Structure of ALDH7A1 mutant W175A complexed with L-pipecolic acid
分子名称: 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, DI(HYDROXYETHYL)ETHER, ...
著者Tanner, J.J, Korasick, D.A, Laciak, A.R.
登録日2019-02-28
公開日2019-07-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural and biochemical consequences of pyridoxine-dependent epilepsy mutations that target the aldehyde binding site of aldehyde dehydrogenase ALDH7A1.
Febs J., 287, 2020
6O4B
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BU of 6o4b by Molmil
Structure of ALDH7A1 mutant W175G complexed with NAD
分子名称: 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, CHLORIDE ION, ...
著者Tanner, J.J, Korasick, D.A, Laciak, A.R.
登録日2019-02-28
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and biochemical consequences of pyridoxine-dependent epilepsy mutations that target the aldehyde binding site of aldehyde dehydrogenase ALDH7A1.
Febs J., 287, 2020
6O4L
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BU of 6o4l by Molmil
Structure of ALDH7A1 mutant E399D complexed with NAD
分子名称: 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, CHLORIDE ION, ...
著者Tanner, J.J, Korasick, D.A, Laciak, A.R.
登録日2019-02-28
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural analysis of pathogenic mutations targeting Glu427 of ALDH7A1, the hot spot residue of pyridoxine-dependent epilepsy.
J. Inherit. Metab. Dis., 43, 2020
5FL6
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BU of 5fl6 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-(4-Methylphenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide
分子名称: 5-[1-(4-methylphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, ACETIC ACID, CARBONIC ANHYDRASE IX, ...
著者Leitans, J, Tars, K, Zalubovskis, R.
登録日2015-10-21
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix.
J.Med.Chem., 58, 2015
5FL5
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BU of 5fl5 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-(4-Methoxyphenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[1-(4-methoxyphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, CARBONIC ANHYDRASE IX, ...
著者Leitans, J, Tars, K, Zalubovskis, R.
登録日2015-10-21
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix.
J.Med.Chem., 58, 2015
5JJG
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BU of 5jjg by Molmil
Structure of magnesium-loaded ALG-2
分子名称: ISOPROPYL ALCOHOL, MAGNESIUM ION, Pcalcium-binding protein ALG-2, ...
著者Tanner, J.J.
登録日2016-04-23
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献EF5 Is the High-Affinity Mg(2+) Site in ALG-2.
Biochemistry, 55, 2016
5FL4
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BU of 5fl4 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide
分子名称: 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide, ACETIC ACID, CARBONIC ANHYDRASE 9, ...
著者Leitans, J, Tars, K, Zalubovskis, R.
登録日2015-10-21
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix.
J.Med.Chem., 58, 2015
8W0K
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BU of 8w0k by Molmil
Minimal PutA proline dehydrogenase domain (design #2) complexed with 1-hydroxyethane-1-sulfonate
分子名称: (1R)-1-hydroxyethane-1-sulfonic acid, Bifunctional protein PutA fusion protein, FLAVIN-ADENINE DINUCLEOTIDE
著者Tanner, J.J, Meeks, K.R.
登録日2024-02-13
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1)
Protein Sci., 33, 2024
5HHF
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BU of 5hhf by Molmil
Crystal structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant H63A with covalent FAD-Galactopyranose and bound UDP
分子名称: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, MESO-ERYTHRITOL, SULFATE ION, ...
著者Tanner, J.J.
登録日2016-01-10
公開日2016-02-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献In Crystallo Capture of a Covalent Intermediate in the UDP-Galactopyranose Mutase Reaction.
Biochemistry, 55, 2016
5UAU
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BU of 5uau by Molmil
Structure of human PYCR-1 complexed with proline
分子名称: PROLINE, Pyrroline-5-carboxylate reductase 1, mitochondrial, ...
著者Tanner, J.J.
登録日2016-12-20
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Resolving the cofactor-binding site in the proline biosynthetic enzyme human pyrroline-5-carboxylate reductase 1.
J. Biol. Chem., 292, 2017
5UAX
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BU of 5uax by Molmil
Structure of apo human PYCR-1 crystallized in space group C2
分子名称: CHLORIDE ION, Pyrroline-5-carboxylate reductase 1, mitochondrial
著者Tanner, J.J.
登録日2016-12-20
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Resolving the cofactor-binding site in the proline biosynthetic enzyme human pyrroline-5-carboxylate reductase 1.
J. Biol. Chem., 292, 2017
5UAW
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BU of 5uaw by Molmil
Structure of apo human PYCR-1 crystallized in space group P21212
分子名称: Pyrroline-5-carboxylate reductase 1, mitochondrial, SULFATE ION
著者Tanner, J.J.
登録日2016-12-20
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Resolving the cofactor-binding site in the proline biosynthetic enzyme human pyrroline-5-carboxylate reductase 1.
J. Biol. Chem., 292, 2017

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件を2024-07-10に公開中

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