Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

4JQ1
DownloadVisualize
BU of 4jq1 by Molmil
AKR1C2 complex with naproxen
分子名称: (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, ...
著者Yosaatmadja, Y, Flanagan, J.U, Squire, C.J.
登録日2013-03-19
公開日2014-04-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis of NSAID selectivity for the aldo-keto reductase 1C family
To be Published
4JII
DownloadVisualize
BU of 4jii by Molmil
Crystal Structure Of AKR1B10 Complexed With NADP+ And Zopolrestat
分子名称: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC)
登録日2013-03-06
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
4JIH
DownloadVisualize
BU of 4jih by Molmil
Crystal Structure Of AKR1B10 Complexed With NADP+ And Epalrestat
分子名称: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
著者Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC)
登録日2013-03-06
公開日2013-10-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
4JIR
DownloadVisualize
BU of 4jir by Molmil
Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And Epalrestat
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
著者Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X.
登録日2013-03-06
公開日2013-10-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
4IJR
DownloadVisualize
BU of 4ijr by Molmil
Crystal structure of Saccharomyces cerevisiae arabinose dehydrogenase Ara1 complexed with NADPH
分子名称: D-arabinose dehydrogenase [NAD(P)+] heavy chain, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hu, X.Q, Guo, P.C, Li, W.F, Zhou, C.Z.
登録日2012-12-23
公開日2013-11-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of Saccharomyces cerevisiaeD-arabinose dehydrogenase Ara1 and its complex with NADPH: implications for cofactor-assisted substrate recognition
Acta Crystallogr.,Sect.F, 69, 2013
4IJC
DownloadVisualize
BU of 4ijc by Molmil
Crystal structure of arabinose dehydrogenase Ara1 from Saccharomyces cerevisiae
分子名称: D-arabinose dehydrogenase [NAD(P)+] heavy chain, GLYCEROL, SULFATE ION
著者Hu, X.Q, Guo, P.C, Li, W.F, Zhou, C.Z.
登録日2012-12-21
公開日2013-11-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of Saccharomyces cerevisiaeD-arabinose dehydrogenase Ara1 and its complex with NADPH: implications for cofactor-assisted substrate recognition
Acta Crystallogr.,Sect.F, 69, 2013
4IGS
DownloadVisualize
BU of 4igs by Molmil
Crystal structure of human Aldose Reductase complexed with NADP+ and JF0064
分子名称: 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Porte, S, de Lera, A.R, Martin, M.J, de la Fuente, J.A, Klebe, G, Farres, J, Pares, X, Podjarny, A.
登録日2012-12-18
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design.
Acta Crystallogr.,Sect.D, 70, 2014
4ICC
DownloadVisualize
BU of 4icc by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and JF0064
分子名称: 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Porte, S, de Lera, A.R, Martin, M.J, de la Fuente, J.A, Klebe, G, Farres, J, Pares, X, Podjarny, A.
登録日2012-12-10
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design.
Acta Crystallogr.,Sect.D, 70, 2014
4I5X
DownloadVisualize
BU of 4i5x by Molmil
Crystal Structure Of AKR1B10 Complexed With NADP+ And Flufenamic acid
分子名称: 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhang, L, Zheng, X, Chen, S, Zhai, J, Zhang, H, Zhao, Y.
登録日2012-11-29
公開日2013-10-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111)
Febs Lett., 587, 2013
4HMN
DownloadVisualize
BU of 4hmn by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with (4-(4-Chlorophenyl)piperazin-1-yl)(morpholino)methanone (24)
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Turnbull, A.P, Flanagan, J.U, Atwell, G.J, Heinrich, D.M, Jamieson, S.M.F, Brooke, D.G, Silva, S, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Denny, W.A.
登録日2012-10-18
公開日2013-11-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Morpholylureas are a new class of potent and selective inhibitors of the type 5 17-beta-hydroxysteroid dehydrogenase (AKR1C3).
Bioorg.Med.Chem., 22, 2014
4HBK
DownloadVisualize
BU of 4hbk by Molmil
Structure of the Aldose Reductase from Schistosoma japonicum
分子名称: Aldo-keto reductase family 1, member B4 (Aldose reductase)
著者Liu, J, Cheng, J, Zhang, X, Yang, Z, Hu, W, Xu, Y.
登録日2012-09-28
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Aldose reductase from Schistosoma japonicum: crystallization and structure-based inhibitor screening for discovering antischistosomal lead compounds.
Parasit Vectors, 6, 2013
4H8N
DownloadVisualize
BU of 4h8n by Molmil
Crystal structure of conjugated polyketone reductase C2 from candida parapsilosis complexed with NADPH
分子名称: Conjugated polyketone reductase C2, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Qin, H.-M, Yamamura, A, Miyakawa, T, Maruoka, S, Ohtsuka, J, Nagata, K, Kataoka, M, Shimizu, S, Tanokura, M.
登録日2012-09-23
公開日2013-08-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of conjugated polyketone reductase from Candida parapsilosis IFO 0708 reveals conformational changes for substrate recognition upon NADPH binding
Appl.Microbiol.Biotechnol., 98, 2014
4H7C
DownloadVisualize
BU of 4h7c by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 1-{4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl}-2-pyrrolidinone
分子名称: 1-(4-{[(2R)-2-methylpiperidin-1-yl]sulfonyl}phenyl)-1,3-dihydro-2H-pyrrol-2-one, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Turnbull, A.P, Heinrich, D, Jamieson, S.M.F, Flanagan, J.U, Silva, S, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Denny, W.A.
登録日2012-09-20
公開日2013-03-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Synthesis and structure-activity relationships for 1-(4-(piperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-ones as novel non-carboxylate inhibitors of the aldo-keto reductase enzyme AKR1C3.
Eur.J.Med.Chem., 62C, 2013
3VXG
DownloadVisualize
BU of 3vxg by Molmil
Crystal structure of conjugated polyketone reductase C2 from Candida Parapsilosis
分子名称: Conjugated polyketone reductase C2
著者Qin, H.-M, Yamamura, A, Miyakawa, T, Maruoka, S, Ohtsuka, J, Nagata, K, Kataoka, M, Shimizu, S, Tanokura, M.
登録日2012-09-13
公開日2013-08-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of conjugated polyketone reductase from Candida parapsilosis IFO 0708 reveals conformational changes for substrate recognition upon NADPH binding
Appl.Microbiol.Biotechnol., 98, 2014
4GQG
DownloadVisualize
BU of 4gqg by Molmil
Crystal structure of AKR1B10 complexed with NADP+
分子名称: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhang, L, Zheng, X, Chen, S, Zhai, J, Hu, X.
登録日2012-08-23
公開日2013-08-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111)
Febs Lett., 587, 2013
4GQ0
DownloadVisualize
BU of 4gq0 by Molmil
Crystal structure of AKR1B10 complexed with NADP+ and Caffeic acid phenethyl ester
分子名称: 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Liping, Z, Xuehua, Z, Shangke, C, Jing, Z, Xiaopeng, H.
登録日2012-08-22
公開日2013-08-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of AKR1B10 complexed with NADP+ and Caffeic acid phenethyl ester
To be Published
4GIE
DownloadVisualize
BU of 4gie by Molmil
Crystal structure of prostaglandin F synthase from Trypanosoma cruzi bound to NADP
分子名称: ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin F synthase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-08-08
公開日2012-08-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structures of prostaglandin F synthase from the protozoa Leishmania major and Trypanosoma cruzi with NADP.
Acta Crystallogr F Struct Biol Commun, 71, 2015
4GCA
DownloadVisualize
BU of 4gca by Molmil
Complex of Aldose Reductase with inhibitor IDD 1219
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2,6-dimethyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-yl}acetic acid
著者Podjarny, A.D, Van Zandt, M, Geraci, L.S.
登録日2012-07-30
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Complex of Aldose Reductase with inhibitor IDD 1219
TO BE PUBLISHED
4GA8
DownloadVisualize
BU of 4ga8 by Molmil
Human AKR1B10 mutant V301L complexed with NADP+ and sorbinil
分子名称: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SORBINIL
著者Cousido-Siah, A, Ruiz Figueras, F.X, Mitschler, A, Podjarny, A.
登録日2012-07-25
公開日2013-08-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.942 Å)
主引用文献

4GAB
DownloadVisualize
BU of 4gab by Molmil
Human AKR1B10 mutant V301L complexed with NADP+ and fidarestat
分子名称: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldo-keto reductase family 1 member B10, CHLORIDE ION, ...
著者Cousido-Siah, A, Ruiz Figueras, F.X, Mitschler, A, Podjarny, A.
登録日2012-07-25
公開日2013-03-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5971 Å)
主引用文献X-ray structure of the V301L aldo-keto reductase 1B10 complexed with NADP(+) and the potent aldose reductase inhibitor fidarestat: Implications for inhibitor binding and selectivity.
Chem.Biol.Interact, 202, 2013
4GAC
DownloadVisualize
BU of 4gac by Molmil
High resolution structure of mouse aldehyde reductase (AKR1a4) in its apo-form
分子名称: 1,2-ETHANEDIOL, Alcohol dehydrogenase [NADP(+)], CITRATE ANION
著者Faucher, F, Jia, Z.
登録日2012-07-25
公開日2012-11-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献High-resolution structure of AKR1a4 in the apo form and its interaction with ligands.
Acta Crystallogr.,Sect.F, 68, 2012
4G5D
DownloadVisualize
BU of 4g5d by Molmil
X-ray crystal structure of Prostaglandin f synthase from Leishmania major Friedlin bound to NADPH
分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin f2-alpha synthase/D-arabinose dehydrogenase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-07-17
公開日2012-08-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of prostaglandin F synthase from the protozoa Leishmania major and Trypanosoma cruzi with NADP.
Acta Crystallogr F Struct Biol Commun, 71, 2015
4FZI
DownloadVisualize
BU of 4fzi by Molmil
Crystal structure of prostaglandin F synthase from Trypanosoma cruzi
分子名称: GLUTAMIC ACID, Prostaglandin F synthase, SULFATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-07-06
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of prostaglandin F synthase from the protozoa Leishmania major and Trypanosoma cruzi with NADP.
Acta Crystallogr F Struct Biol Commun, 71, 2015
4FAM
DownloadVisualize
BU of 4fam by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoic acid (17)
分子名称: 1,2-ETHANEDIOL, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid, Aldo-keto reductase family 1 member C3, ...
著者Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A.
登録日2012-05-22
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3
J.Med.Chem., 55, 2012
4FAL
DownloadVisualize
BU of 4fal by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-methylbenzamide (80)
分子名称: 1,2-ETHANEDIOL, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-methylbenzamide, Aldo-keto reductase family 1 member C3, ...
著者Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A.
登録日2012-05-22
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3
J.Med.Chem., 55, 2012

221051

件を2024-06-12に公開中

PDB statisticsPDBj update infoContact PDBjnumon