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1YE4
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BU of 1ye4 by Molmil
Crystal structure of the Lys-274 to Arg mutant of Candida tenuis xylose reductase (AKR2B5) bound to NAD+
Descriptor: NAD(P)H-dependent D-xylose reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Leitgeb, S, Petschacher, B, Wilson, D.K, Nidetzky, B.
Deposit date:2004-12-28
Release date:2005-02-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fine tuning of coenzyme specificity in family 2 aldo-keto reductases revealed by crystal structures of the Lys-274-->Arg mutant of Candida tenuis xylose reductase (AKR2B5) bound to NAD(+) and NADP(+).
FEBS Lett., 579, 2005
3LQG
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BU of 3lqg by Molmil
Human aldose reductase mutant T113A complexed with IDD388
Descriptor: (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID, Aldose reductase, BROMIDE ION, ...
Authors:Koch, C, Heine, A, Klebe, G.
Deposit date:2010-02-09
Release date:2010-12-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors
J.Mol.Biol., 406, 2011
2ACQ
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BU of 2acq by Molmil
AN ANION BINDING SITE IN HUMAN ALDOSE REDUCTASE: MECHANISTIC IMPLICATIONS FOR THE BINDING OF CITRATE, CACODYLATE, AND GLUCOSE-6-PHOSPHATE
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, ALDOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Harrison, D.H, Bohren, K.M, Gabbay, K.H, Petsko, G.A, Ringe, D.
Deposit date:1994-04-15
Release date:1994-07-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:An anion binding site in human aldose reductase: mechanistic implications for the binding of citrate, cacodylate, and glucose 6-phosphate.
Biochemistry, 33, 1994
3LEP
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BU of 3lep by Molmil
Human Aldose Reductase mutant T113C in complex with IDD388
Descriptor: (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID, Aldose reductase, BROMIDE ION, ...
Authors:Koch, C, Heine, A, Klebe, G.
Deposit date:2010-01-15
Release date:2010-12-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors
J.Mol.Biol., 406, 2011
1XJB
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BU of 1xjb by Molmil
Crystal structure of human type 3 3alpha-hydroxysteroid dehydrogenase in complex with NADP(H), citrate and acetate molecules
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Aldo-keto reductase family 1 member C2, ...
Authors:Couture, J.-F, Pereira de Jesus-Tran, K, Roy, A.-M, Legrand, P, Cantin, L, Cote, P.-L, Luu-The, V, Labrie, F, Breton, R.
Deposit date:2004-09-23
Release date:2005-06-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Comparison of crystal structures of human type 3 3alpha-hydroxysteroid dehydrogenase reveals an "induced-fit" mechanism and a conserved basic motif involved in the binding of androgen
Protein Sci., 14, 2005
3ONC
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Bond breakage and relocation of a covalently bound bromine of IDD594 in a complex with hAR T113A mutant after moderate radiation dose
Descriptor: Aldose reductase, BROMIDE ION, CITRIC ACID, ...
Authors:Koch, C, Heine, A, Klebe, G.
Deposit date:2010-08-28
Release date:2011-08-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Radiation damage reveals promising interaction position
J.SYNCHROTRON RADIAT., 18, 2011
2ACS
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BU of 2acs by Molmil
AN ANION BINDING SITE IN HUMAN ALDOSE REDUCTASE: MECHANISTIC IMPLICATIONS FOR THE BINDING OF CITRATE, CACODYLATE, AND GLUCOSE-6-PHOSPHATE
Descriptor: ALDOSE REDUCTASE, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Harrison, D.H, Bohren, K.M, Gabbay, K.H, Petsko, G.A, Ringe, D.
Deposit date:1994-04-15
Release date:1994-07-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:An anion binding site in human aldose reductase: mechanistic implications for the binding of citrate, cacodylate, and glucose 6-phosphate.
Biochemistry, 33, 1994
2ACR
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BU of 2acr by Molmil
AN ANION BINDING SITE IN HUMAN ALDOSE REDUCTASE: MECHANISTIC IMPLICATIONS FOR THE BINDING OF CITRATE, CACODYLATE, AND GLUCOSE-6-PHOSPHATE
Descriptor: ALDOSE REDUCTASE, CACODYLATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Harrison, D.H, Bohren, K.M, Gabbay, K.H, Petsko, G.A, Ringe, D.
Deposit date:1994-04-15
Release date:1994-07-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:An anion binding site in human aldose reductase: mechanistic implications for the binding of citrate, cacodylate, and glucose 6-phosphate.
Biochemistry, 33, 1994
2AGT
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BU of 2agt by Molmil
Aldose Reductase Mutant Leu 300 Pro complexed with Fidarestat
Descriptor: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ...
Authors:Petrova, T, Steuber, H, Hazemann, I, Cousido-Siah, A, Mitschler, A, Chung, R, Oka, M, Klebe, G, El-Kabbani, O, Joachimiak, A, Podjarny, A.
Deposit date:2005-07-27
Release date:2005-09-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1 Å)
Cite:Factorizing Selectivity Determinants of Inhibitor Binding toward Aldose and Aldehyde Reductases: Structural and Thermodynamic Properties of the Aldose Reductase Mutant Leu300Pro-Fidarestat Complex
J.Med.Chem., 48, 2005
4FZI
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BU of 4fzi by Molmil
Crystal structure of prostaglandin F synthase from Trypanosoma cruzi
Descriptor: GLUTAMIC ACID, Prostaglandin F synthase, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-07-06
Release date:2012-07-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of prostaglandin F synthase from the protozoa Leishmania major and Trypanosoma cruzi with NADP.
Acta Crystallogr F Struct Biol Commun, 71, 2015
4GAB
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BU of 4gab by Molmil
Human AKR1B10 mutant V301L complexed with NADP+ and fidarestat
Descriptor: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldo-keto reductase family 1 member B10, CHLORIDE ION, ...
Authors:Cousido-Siah, A, Ruiz Figueras, F.X, Mitschler, A, Podjarny, A.
Deposit date:2012-07-25
Release date:2013-03-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5971 Å)
Cite: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
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BU of 4gac by Molmil
High resolution structure of mouse aldehyde reductase (AKR1a4) in its apo-form
Descriptor: 1,2-ETHANEDIOL, Alcohol dehydrogenase [NADP(+)], CITRATE ANION
Authors:Faucher, F, Jia, Z.
Deposit date:2012-07-25
Release date:2012-11-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:High-resolution structure of AKR1a4 in the apo form and its interaction with ligands.
Acta Crystallogr.,Sect.F, 68, 2012
4G5D
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BU of 4g5d by Molmil
X-ray crystal structure of Prostaglandin f synthase from Leishmania major Friedlin bound to NADPH
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin f2-alpha synthase/D-arabinose dehydrogenase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-07-17
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of prostaglandin F synthase from the protozoa Leishmania major and Trypanosoma cruzi with NADP.
Acta Crystallogr F Struct Biol Commun, 71, 2015
4GIE
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BU of 4gie by Molmil
Crystal structure of prostaglandin F synthase from Trypanosoma cruzi bound to NADP
Descriptor: ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin F synthase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-08-08
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structures of prostaglandin F synthase from the protozoa Leishmania major and Trypanosoma cruzi with NADP.
Acta Crystallogr F Struct Biol Commun, 71, 2015
4HMN
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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)
Descriptor: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors: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.
Deposit date:2012-10-18
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Morpholylureas are a new class of potent and selective inhibitors of the type 5 17-beta-hydroxysteroid dehydrogenase (AKR1C3).
Bioorg.Med.Chem., 22, 2014
4I5X
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BU of 4i5x by Molmil
Crystal Structure Of AKR1B10 Complexed With NADP+ And Flufenamic acid
Descriptor: 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, L, Zheng, X, Chen, S, Zhai, J, Zhang, H, Zhao, Y.
Deposit date:2012-11-29
Release date:2013-10-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111)
Febs Lett., 587, 2013
4IJR
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BU of 4ijr by Molmil
Crystal structure of Saccharomyces cerevisiae arabinose dehydrogenase Ara1 complexed with NADPH
Descriptor: D-arabinose dehydrogenase [NAD(P)+] heavy chain, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hu, X.Q, Guo, P.C, Li, W.F, Zhou, C.Z.
Deposit date:2012-12-23
Release date:2013-11-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Saccharomyces cerevisiaeD-arabinose dehydrogenase Ara1 and its complex with NADPH: implications for cofactor-assisted substrate recognition
Acta Crystallogr.,Sect.F, 69, 2013
4GCA
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BU of 4gca by Molmil
Complex of Aldose Reductase with inhibitor IDD 1219
Descriptor: 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
Authors:Podjarny, A.D, Van Zandt, M, Geraci, L.S.
Deposit date:2012-07-30
Release date:2013-07-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Complex of Aldose Reductase with inhibitor IDD 1219
TO BE PUBLISHED
4GQG
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BU of 4gqg by Molmil
Crystal structure of AKR1B10 complexed with NADP+
Descriptor: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, L, Zheng, X, Chen, S, Zhai, J, Hu, X.
Deposit date:2012-08-23
Release date:2013-08-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111)
Febs Lett., 587, 2013
4H8N
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BU of 4h8n by Molmil
Crystal structure of conjugated polyketone reductase C2 from candida parapsilosis complexed with NADPH
Descriptor: Conjugated polyketone reductase C2, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Qin, H.-M, Yamamura, A, Miyakawa, T, Maruoka, S, Ohtsuka, J, Nagata, K, Kataoka, M, Shimizu, S, Tanokura, M.
Deposit date:2012-09-23
Release date:2013-08-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of conjugated polyketone reductase from Candida parapsilosis IFO 0708 reveals conformational changes for substrate recognition upon NADPH binding
Appl.Microbiol.Biotechnol., 98, 2014
4HBK
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BU of 4hbk by Molmil
Structure of the Aldose Reductase from Schistosoma japonicum
Descriptor: Aldo-keto reductase family 1, member B4 (Aldose reductase)
Authors:Liu, J, Cheng, J, Zhang, X, Yang, Z, Hu, W, Xu, Y.
Deposit date:2012-09-28
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Aldose reductase from Schistosoma japonicum: crystallization and structure-based inhibitor screening for discovering antischistosomal lead compounds.
Parasit Vectors, 6, 2013
4H7C
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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
Descriptor: 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
Authors: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.
Deposit date:2012-09-20
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.97 Å)
Cite: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
4ICC
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BU of 4icc by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and JF0064
Descriptor: 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors: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.
Deposit date:2012-12-10
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.752 Å)
Cite: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
4IJC
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BU of 4ijc by Molmil
Crystal structure of arabinose dehydrogenase Ara1 from Saccharomyces cerevisiae
Descriptor: D-arabinose dehydrogenase [NAD(P)+] heavy chain, GLYCEROL, SULFATE ION
Authors:Hu, X.Q, Guo, P.C, Li, W.F, Zhou, C.Z.
Deposit date:2012-12-21
Release date:2013-11-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of Saccharomyces cerevisiaeD-arabinose dehydrogenase Ara1 and its complex with NADPH: implications for cofactor-assisted substrate recognition
Acta Crystallogr.,Sect.F, 69, 2013
4GQ0
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BU of 4gq0 by Molmil
Crystal structure of AKR1B10 complexed with NADP+ and Caffeic acid phenethyl ester
Descriptor: 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Liping, Z, Xuehua, Z, Shangke, C, Jing, Z, Xiaopeng, H.
Deposit date:2012-08-22
Release date:2013-08-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of AKR1B10 complexed with NADP+ and Caffeic acid phenethyl ester
To be Published

222415

건을2024-07-10부터공개중

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