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PDB: 775 件
8TDD
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BU of 8tdd by Molmil
Structure of PYCR1 complexed with NADH and 2-(furan-2-yl)acetic acid
分子名称: (furan-2-yl)acetic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Pyrroline-5-carboxylate reductase 1, ...
著者Tanner, J.J, Meeks, K.R.
登録日2023-07-02
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.91 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
8TD3
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BU of 8td3 by Molmil
Structure of PYCR1 complexed with NADH and (S)-Tetrahydro-2H-pyran-2-carboxylic acid
分子名称: (2S)-oxane-2-carboxylic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ...
著者Tanner, J.J, Meeks, K.R.
登録日2023-07-02
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.67 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
8TD9
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BU of 8td9 by Molmil
Structure of PYCR1 complexed with NADH and L-pipecolic acid
分子名称: (2S)-piperidine-2-carboxylic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Pyrroline-5-carboxylate reductase 1, ...
著者Tanner, J.J, Meeks, K.R.
登録日2023-07-02
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.75 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
8TD4
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BU of 8td4 by Molmil
Structure of PYCR1 complexed with NADH and 1,3-Dithiolane-2-carboxylic acid
分子名称: 1,3-dithiolane-2-carboxylic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Pyrroline-5-carboxylate reductase 1, ...
著者Tanner, J.J, Meeks, K.R.
登録日2023-07-02
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.76 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
8TDB
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BU of 8tdb by Molmil
Structure of PYCR1 complexed with NADH and 1-hydroxyethane-1-sulfonate
分子名称: (1R)-1-hydroxyethane-1-sulfonic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Pyrroline-5-carboxylate reductase 1, ...
著者Tanner, J.J, Meeks, K.R.
登録日2023-07-02
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.3 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
8TD7
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BU of 8td7 by Molmil
Structure of PYCR1 complexed with 2S-hydroxy-3-methylbutyric acid
分子名称: (2S)-2-hydroxy-3-methylbutanoic acid, DI(HYDROXYETHYL)ETHER, Pyrroline-5-carboxylate reductase 1, ...
著者Tanner, J.J, Meeks, K.R.
登録日2023-07-02
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.61 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
6QUT
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BU of 6qut by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide
分子名称: 4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide, Carbonic anhydrase 9, ZINC ION
著者Leitans, J, Tars, K.
登録日2019-02-28
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
6QN2
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BU of 6qn2 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide
分子名称: Carbonic anhydrase 9, ZINC ION, methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate
著者Leitans, J, Tars, K.
登録日2019-02-08
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
8TD5
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BU of 8td5 by Molmil
Structure of PYCR1 complexed with NADH and Tetrahydrothiophene-2-carboxylic acid
分子名称: (2R)-thiolane-2-carboxylic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Pyrroline-5-carboxylate reductase 1, ...
著者Tanner, J.J, Meeks, K.R.
登録日2023-07-02
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.81 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
8TD2
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BU of 8td2 by Molmil
Structure of PYCR1 complexed with NADH and cyclobutane-1,1-dicarboxylic acid
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Pyrroline-5-carboxylate reductase 1, mitochondrial, ...
著者Tanner, J.J, Meeks, K.R.
登録日2023-07-02
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.65 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
8TD6
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BU of 8td6 by Molmil
Structure of PYCR1 complexed with NADH and 2-(Methylthio)acetic acid
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Pyrroline-5-carboxylate reductase 1, mitochondrial, ...
著者Tanner, J.J, Meeks, K.R.
登録日2023-07-02
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.08 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
8TDC
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BU of 8tdc by Molmil
Structure of PYCR1 complexed with NADH and 1,3-dithiane-2-carboxylic acid
分子名称: 1,3-dithiane-2-carboxylic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Pyrroline-5-carboxylate reductase 1, ...
著者Tanner, J.J, Meeks, K.R.
登録日2023-07-02
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.8 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
8TD8
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BU of 8td8 by Molmil
Structure of PYCR1 complexed with NADH and 2S-Hydroxy-3,3-dimethylbutyric acid
分子名称: (2S)-2-hydroxy-3,3-dimethylbutanoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Pyrroline-5-carboxylate reductase 1, ...
著者Tanner, J.J, Meeks, K.R.
登録日2023-07-02
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.71 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
6QN6
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BU of 6qn6 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide
分子名称: Carbonic anhydrase 9, ZINC ION, ~{N}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide
著者Leitans, J, Tars, K.
登録日2019-02-09
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
6QN5
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BU of 6qn5 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide
分子名称: 4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide, Carbonic anhydrase 9, ZINC ION
著者Leitans, J, Tars, K.
登録日2019-02-09
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
6U2X
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BU of 6u2x by Molmil
Structure of ALDH7A1 mutant E399G complexed with NAD
分子名称: Alpha-aminoadipic semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Tanner, J.J, Korasick, D.A, Laciak, A.R.
登録日2019-08-20
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 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
7DTS
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BU of 7dts by Molmil
Crystal structure of RNase L in complex with AC40357
分子名称: 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE, PHOSPHATE ION, Ribonuclease L, ...
著者Tang, J, Huang, H.
登録日2021-01-06
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Identification of Small Molecule Inhibitors of RNase L by Fragment-Based Drug Discovery
J.Med.Chem., 65, 2022
7ELW
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BU of 7elw by Molmil
Crystal structure of RNase L in complex with Myricetin
分子名称: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, PHOSPHATE ION, Ribonuclease L, ...
著者Tang, J, Huang, H.
登録日2021-04-12
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.55 Å)
主引用文献Identification of Small Molecule Inhibitors of RNase L by Fragment-Based Drug Discovery
J.Med.Chem., 65, 2022
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
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
6MVU
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BU of 6mvu by Molmil
Structure of a bacterial ALDH16 active site mutant C295A complexed with p-nitrophenylacetate
分子名称: 4-nitrophenyl acetate, Aldehyde dehydrogenase, GLYCEROL, ...
著者Tanner, J.J, Liu, L.
登録日2018-10-28
公開日2018-12-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.488 Å)
主引用文献Crystal Structure of Aldehyde Dehydrogenase 16 Reveals Trans-Hierarchical Structural Similarity and a New Dimer.
J. Mol. Biol., 431, 2019
6X0K
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BU of 6x0k by Molmil
Structure of dithionite-reduced SidA ornithine hydroxylase with the FAD "in" and complexed with L-ornithine
分子名称: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, L-ornithine, L-ornithine N(5)-monooxygenase
著者Tanner, J.J, Campbell, A.C.
登録日2020-05-15
公開日2020-08-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.231 Å)
主引用文献Trapping conformational states of a flavin-dependent N -monooxygenase in crystallo reveals protein and flavin dynamics.
J.Biol.Chem., 295, 2020
6WPU
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BU of 6wpu by Molmil
Structure of S-allyl-L-cysteine S-oxygenase from Allium sativum
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase, SULFATE ION
著者Tanner, J.J, Campbell, A.C, Schuermann, J.P.
登録日2020-04-27
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.084 Å)
主引用文献Structure and function of a flavin-dependent S-monooxygenase from garlic (Allium sativum).
J.Biol.Chem., 295, 2020
6X0H
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BU of 6x0h by Molmil
Structure of oxidized SidA ornithine hydroxylase with the FAD in the "out" conformation
分子名称: ACETATE ION, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Tanner, J.J, Campbell, A.C.
登録日2020-05-15
公開日2020-08-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.087 Å)
主引用文献Trapping conformational states of a flavin-dependent N -monooxygenase in crystallo reveals protein and flavin dynamics.
J.Biol.Chem., 295, 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

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件を2024-07-17に公開中

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