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PDB: 836 件
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
3HAZ
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BU of 3haz by Molmil
Crystal structure of bifunctional proline utilization A (PutA) protein
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Tanner, J.J.
登録日2009-05-03
公開日2010-02-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the bifunctional proline utilization A flavoenzyme from Bradyrhizobium japonicum
Proc.Natl.Acad.Sci.USA, 107, 2010
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
8TCV
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BU of 8tcv by Molmil
Structure of PYCR1 complexed with 4-bromobenzene-1,3-dicarboxylic acid
分子名称: 4-bromobenzene-1,3-dicarboxylic acid, Pyrroline-5-carboxylate reductase 1, mitochondrial, ...
著者Tanner, J.J, Meeks, K.R.
登録日2023-07-02
公開日2024-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography.
J.Chem.Inf.Model., 64, 2024
8TCZ
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BU of 8tcz by Molmil
Structure of PYCR1 complexed with 2-(pyridin-2-yl)cyclopropane-1-carboxylic acid
分子名称: (1S,2S)-2-(pyridin-2-yl)cyclopropane-1-carboxylic acid, Pyrroline-5-carboxylate reductase 1, mitochondrial, ...
著者Tanner, J.J, Meeks, K.R.
登録日2023-07-02
公開日2024-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography.
J.Chem.Inf.Model., 64, 2024
8TCW
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BU of 8tcw by Molmil
Structure of PYCR1 complexed with 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid
分子名称: 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid, Pyrroline-5-carboxylate reductase 1, mitochondrial, ...
著者Tanner, J.J, Meeks, K.R.
登録日2023-07-02
公開日2024-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography.
J.Chem.Inf.Model., 64, 2024
8TCX
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BU of 8tcx by Molmil
Structure of PYCR1 complexed with 2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid
分子名称: 2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid, Pyrroline-5-carboxylate reductase 1, mitochondrial, ...
著者Tanner, J.J, Meeks, K.R.
登録日2023-07-02
公開日2024-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography.
J.Chem.Inf.Model., 64, 2024
8TD0
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BU of 8td0 by Molmil
Structure of PYCR1 complexed with 5-oxo-7a-phenyl-hexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid
分子名称: (3R,4S,7aR)-5-oxo-7a-phenylhexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid, Pyrroline-5-carboxylate reductase 1, mitochondrial, ...
著者Tanner, J.J, Meeks, K.R.
登録日2023-07-02
公開日2024-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography.
J.Chem.Inf.Model., 64, 2024
8TCU
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BU of 8tcu by Molmil
Structure of PYCR1 complexed with 2-chloro-5-(2-oxoimidazolidin-1-yl)benzoic acid
分子名称: 2-chloro-5-(2-oxoimidazolidin-1-yl)benzoic acid, Pyrroline-5-carboxylate reductase 1, mitochondrial, ...
著者Tanner, J.J, Meeks, K.R.
登録日2023-07-02
公開日2024-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography.
J.Chem.Inf.Model., 64, 2024
8TD1
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BU of 8td1 by Molmil
Structure of PYCR1 complexed with 3-(6-Oxa-9-azaspiro(4.5)decane-9-carbonyl)benzoic acid
分子名称: 3-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)benzoic 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2024-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography.
J.Chem.Inf.Model., 64, 2024
8TCY
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BU of 8tcy by Molmil
Structure of PYCR1 complexed with 7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
分子名称: 7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic 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2024-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography.
J.Chem.Inf.Model., 64, 2024
3IYM
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BU of 3iym by Molmil
Backbone Trace of the Capsid Protein Dimer of a Fungal Partitivirus from Electron Cryomicroscopy and Homology Modeling
分子名称: Capsid protein
著者Tang, J, Pan, J, Havens, W.F, Ochoa, W.F, Li, H, Sinkovits, R.S, Guu, T.S.Y, Ghabrial, S.A, Nibert, M.L, Tao, J.Y, Baker, T.S.
登録日2010-02-05
公開日2010-07-28
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Backbone Trace of Partitivirus Capsid Protein from Electron Cryomicroscopy and Homology Modeling
Biophys.J., 99, 2010
6G9U
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BU of 6g9u by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
分子名称: 4-[2-[3-(cyclooctylamino)-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2018-04-11
公開日2018-07-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 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
6SJJ
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BU of 6sjj by Molmil
A new modulated crystal structure of ANS complex of St John's wort Hyp-1 protein with 36 protein molecules in the asymmetric unit of the supercell
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-ANILINO-1-NAPHTHALENE SULFONATE, CITRATE ANION, ...
著者Smietanska, J, Sliwiak, J, Gilski, M, Dauter, Z, Strzalka, R, Wolny, J, Jaskolski, M.
登録日2019-08-13
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A new modulated crystal structure of the ANS complex of the St John's wort Hyp-1 protein with 36 protein molecules in the asymmetric unit of the supercell.
Acta Crystallogr D Struct Biol, 76, 2020
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
最終更新日2024-09-04
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
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
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
3ITG
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BU of 3itg by Molmil
Structure the proline utilization A proline dehydrogenase domain (PutA86-630) inactivated with N-propargylglycine
分子名称: Bifunctional protein putA, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE
著者Tanner, J.J.
登録日2009-08-28
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The structure of the proline utilization a proline dehydrogenase domain inactivated by N-propargylglycine provides insight into conformational changes induced by substrate binding and flavin reduction.
Biochemistry, 49, 2010
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
最終更新日2024-09-18
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
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
最終更新日2024-09-18
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
最終更新日2024-09-18
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
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
最終更新日2024-09-18
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
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
最終更新日2024-09-18
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
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
最終更新日2024-09-18
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

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