3D3F
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3DN5
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![BU of 3dn5 by Molmil](/molmil-images/mine/3dn5) | Aldose Reductase in complex with novel biarylic inhibitor | 分子名称: | 3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Steuber, H, Klebe, G. | 登録日 | 2008-07-01 | 公開日 | 2009-04-07 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structure-Based Optimization of Aldose Reductase Inhibitors Originating from Virtual Screening Chemmedchem, 4, 2009
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3GHR
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![BU of 3ghr by Molmil](/molmil-images/mine/3ghr) | Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. First stage of radiation damage | 分子名称: | Aldose reductase, CITRIC ACID, IDD594, ... | 著者 | Petrova, T, Ginell, S, Hazemann, I, Mitschler, A, Podjarny, A, Joachimiak, A. | 登録日 | 2009-03-04 | 公開日 | 2009-03-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | X-ray-radiation-induced cooperative atomic movements in protein. J.Mol.Biol., 387, 2009
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3G5E
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![BU of 3g5e by Molmil](/molmil-images/mine/3g5e) | Human aldose reductase complexed with IDD 740 inhibitor | 分子名称: | 2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetic acid, Aldose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Podjarny, A.D, Van Zandt, M.C. | 登録日 | 2009-02-05 | 公開日 | 2009-03-24 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of [3-(4,5,7-trifluoro-benzothiazol-2-ylmethyl)-pyrrolo[2,3-b]pyridin-1-yl]acetic acids as highly potent and selective inhibitors of aldose reductase for treatment of chronic diabetic complications. Bioorg.Med.Chem.Lett., 19, 2009
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3GHU
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![BU of 3ghu by Molmil](/molmil-images/mine/3ghu) | Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. Forth stage of radiation damage. | 分子名称: | Aldose reductase, CITRIC ACID, IDD594, ... | 著者 | Petrova, T, Ginell, S, Hazemann, I, Mitschler, A, Podjarny, A, Joachimiak, A. | 登録日 | 2009-03-04 | 公開日 | 2009-03-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | X-ray-radiation-induced cooperative atomic movements in protein. J.Mol.Biol., 387, 2009
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3GHS
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![BU of 3ghs by Molmil](/molmil-images/mine/3ghs) | Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. Second stage of radiation damage. | 分子名称: | Aldose reductase, CITRIC ACID, IDD594, ... | 著者 | Petrova, T, Ginell, S, Hazemann, I, Mitschler, A, Podjarny, A, Joachimiak, A. | 登録日 | 2009-03-04 | 公開日 | 2009-03-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | X-ray-radiation-induced cooperative atomic movements in protein. J.Mol.Biol., 387, 2009
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3GHT
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![BU of 3ght by Molmil](/molmil-images/mine/3ght) | Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. Third stage of radiation damage. | 分子名称: | Aldose reductase, CITRIC ACID, IDD594, ... | 著者 | Petrova, T, Ginell, S, Hazemann, I, Mitschler, A, Podjarny, A, Joachimiak, A. | 登録日 | 2009-03-04 | 公開日 | 2009-03-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | X-ray-radiation-induced cooperative atomic movements in protein. J.Mol.Biol., 387, 2009
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3CV6
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![BU of 3cv6 by Molmil](/molmil-images/mine/3cv6) | The crystal structure of mouse 17-alpha hydroxysteroid dehydrogenase GG225.226PP mutant in complex with inhibitor and cofactor NADP+. | 分子名称: | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol, Aldo-keto reductase family 1 member C21, BETA-MERCAPTOETHANOL, ... | 著者 | Dhagat, U, El-Kabbani, O. | 登録日 | 2008-04-17 | 公開日 | 2009-03-03 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of the G225P/G226P mutant of mouse 3(17)alpha-hydroxysteroid dehydrogenase (AKR1C21) ternary complex: implications for the binding of inhibitor and substrate. Acta Crystallogr.,Sect.D, 65, 2009
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2R24
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![BU of 2r24 by Molmil](/molmil-images/mine/2r24) | Human Aldose Reductase structure | 分子名称: | Aldose reductase, IDD594, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Blakeley, M.P, Ruiz, F, Cachau, R, Hazemann, I, Meilleur, F, Mitschler, A, Ginell, S, Afonine, P, Ventura, O.N, Cousido-Siah, A, Haertlein, M, Joachimiak, A, Myles, D, Podjarny, A. | 登録日 | 2007-08-24 | 公開日 | 2008-12-23 | 最終更新日 | 2024-02-21 | 実験手法 | NEUTRON DIFFRACTION (1.752 Å), X-RAY DIFFRACTION | 主引用文献 | Quantum model of catalysis based on mobile proton revealed by subatomic X-Ray and neutron diffraction studies of h-Aldose Reductase Proc.Natl.Acad.Sci.USA, 105, 2008
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3CAS
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![BU of 3cas by Molmil](/molmil-images/mine/3cas) | Crystal structure of 5beta-reductase (AKR1D1) in complex with NADP+ and 4-androstenedione | 分子名称: | 1,2-ETHANEDIOL, 3-oxo-5-beta-steroid 4-dehydrogenase, 4-ANDROSTENE-3-17-DIONE, ... | 著者 | Faucher, F, Cantin, L, Breton, R. | 登録日 | 2008-02-20 | 公開日 | 2008-12-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structures of Human Delta4-3-Ketosteroid 5beta-Reductase (AKR1D1) Reveal the Presence of an Alternative Binding Site Responsible for Substrate Inhibition (dagger) (,) (double dagger). Biochemistry, 47, 2008
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3CAQ
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![BU of 3caq by Molmil](/molmil-images/mine/3caq) | Crystal structure of 5beta-reductase (AKR1D1) in complex with NADPH | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3-oxo-5-beta-steroid 4-dehydrogenase, ... | 著者 | Faucher, F, Cantin, L, Breton, R. | 登録日 | 2008-02-20 | 公開日 | 2008-12-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal Structures of Human Delta4-3-Ketosteroid 5beta-Reductase (AKR1D1) Reveal the Presence of an Alternative Binding Site Responsible for Substrate Inhibition (dagger) (,) (double dagger). Biochemistry, 47, 2008
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3F7J
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![BU of 3f7j by Molmil](/molmil-images/mine/3f7j) | B.subtilis YvgN | 分子名称: | NITRATE ION, POTASSIUM ION, YvgN protein | 著者 | Zhou, Y.F, Lei, J, Liang, Y.H, Su, X.-D. | 登録日 | 2008-11-09 | 公開日 | 2008-11-25 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural and biochemical analyses of YvgN and YtbE from Bacillus subtilis Protein Sci., 18, 2009
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3ERP
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![BU of 3erp by Molmil](/molmil-images/mine/3erp) | Structure of IDP01002, a putative oxidoreductase from and essential gene of Salmonella typhimurium | 分子名称: | 1,2-ETHANEDIOL, CACODYLATE ION, CHLORIDE ION, ... | 著者 | Singer, A.U, Minasov, G, Evdokimova, E, Brunzelle, J.S, Kudritska, M, Edwards, A.M, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2008-10-02 | 公開日 | 2008-11-04 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structural and biochemical studies of novel aldo-keto reductases for the biocatalytic conversion of 3-hydroxybutanal to 1,3-butanediol. Appl.Environ.Microbiol., 2017
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3CV7
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![BU of 3cv7 by Molmil](/molmil-images/mine/3cv7) | Crystal structure of porcine aldehyde reductase ternary complex | 分子名称: | 3,5-dichloro-2-hydroxybenzoic acid, Alcohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Carbone, V, El-Kabbani, O. | 登録日 | 2008-04-18 | 公開日 | 2008-10-28 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.412 Å) | 主引用文献 | Structure of aldehyde reductase in ternary complex with coenzyme and the potent 20alpha-hydroxysteroid dehydrogenase inhibitor 3,5-dichlorosalicylic acid: Implications for inhibitor binding and selectivity Arch.Biochem.Biophys., 479, 2008
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3DOP
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![BU of 3dop by Molmil](/molmil-images/mine/3dop) | Crystal structure of 5beta-reductase (AKR1D1) in complex with NADP+ and 5beta-dihydrotestosterone, Resolution 2.00A | 分子名称: | 3-oxo-5-beta-steroid 4-dehydrogenase, 5-beta-DIHYDROTESTOSTERONE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Di Costanzo, L, Drury, J.E, Penning, T.M, Christianson, D.W. | 登録日 | 2008-07-05 | 公開日 | 2008-10-28 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure and catalytic mechanism of human steroid 5beta-reductase (AKR1D1) Mol.Cell.Endocrinol., 301, 2009
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3B3D
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![BU of 3b3d by Molmil](/molmil-images/mine/3b3d) | B.subtilis YtbE | 分子名称: | CALCIUM ION, Putative morphine dehydrogenase | 著者 | Zhou, Y.F, Li, L.F, Liang, Y.H, Su, X.-D. | 登録日 | 2007-10-20 | 公開日 | 2008-10-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural and biochemical analyses of YvgN and YtbE from Bacillus subtilis Protein Sci., 18, 2009
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3EB3
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![BU of 3eb3 by Molmil](/molmil-images/mine/3eb3) | Voltage-dependent K+ channel beta subunit (W121A) in complex with cortisone | 分子名称: | 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Voltage-gated potassium channel subunit beta-2 | 著者 | Pan, Y, Weng, J, Kabaleeswaran, V, Li, H, Cao, Y, Bhosle, R.C, Zhou, M. | 登録日 | 2008-08-26 | 公開日 | 2008-09-23 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Cortisone dissociates the Shaker family K+ channels from their beta subunits. Nat.Chem.Biol., 4, 2008
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3EAU
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![BU of 3eau by Molmil](/molmil-images/mine/3eau) | Voltage-dependent K+ channel beta subunit in complex with cortisone | 分子名称: | 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Voltage-gated potassium channel subunit beta-2 | 著者 | Pan, Y, Weng, J, Kabaleeswaran, V, Li, H, Cao, Y, Bhosle, R.C, Zhou, M. | 登録日 | 2008-08-26 | 公開日 | 2008-09-23 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Cortisone dissociates the Shaker family K+ channels from their beta subunits. Nat.Chem.Biol., 4, 2008
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3EB4
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![BU of 3eb4 by Molmil](/molmil-images/mine/3eb4) | Voltage-dependent K+ channel beta subunit (I211R) in complex with cortisone | 分子名称: | 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Voltage-gated potassium channel subunit beta-2 | 著者 | Pan, Y, Weng, J, Kabaleeswaran, V, Li, H, Cao, Y, Bhosle, R.C, Zhou, M. | 登録日 | 2008-08-26 | 公開日 | 2008-09-23 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Cortisone dissociates the Shaker family K+ channels from their beta subunits. Nat.Chem.Biol., 4, 2008
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3C3U
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![BU of 3c3u by Molmil](/molmil-images/mine/3c3u) | Crystal structure of AKR1C1 in complex with NADP and 3,5-dichlorosalicylic acid | 分子名称: | 3,5-dichloro-2-hydroxybenzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Dhagat, U, El-Kabbani, O. | 登録日 | 2008-01-28 | 公開日 | 2008-08-26 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Selectivity determinants of inhibitor binding to human 20alpha-hydroxysteroid dehydrogenase: crystal structure of the enzyme in ternary complex with coenzyme and the potent inhibitor 3,5-dichlorosalicylic acid J.Med.Chem., 51, 2008
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3CAV
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![BU of 3cav by Molmil](/molmil-images/mine/3cav) | Crystal structure of 5beta-reductase (AKR1D1) in complex with NADP+ and 5beta-pregnan-3,20-dione | 分子名称: | (5BETA)-PREGNANE-3,20-DIONE, 1,2-ETHANEDIOL, 3-oxo-5-beta-steroid 4-dehydrogenase, ... | 著者 | Faucher, F, Cantin, L, Breton, R. | 登録日 | 2008-02-20 | 公開日 | 2008-07-29 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The crystal structure of human Delta4-3-ketosteroid 5beta-reductase defines the functional role of the residues of the catalytic tetrad in the steroid double bond reduction mechanism. Biochemistry, 47, 2008
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2PZN
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![BU of 2pzn by Molmil](/molmil-images/mine/2pzn) | The crystallographic structure of Aldose Reductase IDD393 complex confirms Leu300 as a specificity determinant | 分子名称: | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Ruiz, F, Hazemann, I, Darmanin, C, Mitschler, A, Van Zandt, M, Joachimiak, A, El-Kabbani, O, Podjarny, A. | 登録日 | 2007-05-18 | 公開日 | 2008-05-27 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | The Crystallographic Structure of Alr2-Idd393 Complex Confirms Leu300 as a Specificity Determinant To be Published
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3COT
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![BU of 3cot by Molmil](/molmil-images/mine/3cot) | Crystal structure of human liver delta(4)-3-ketosteroid 5beta-reductase (akr1d1) in complex with progesterone and nadp. Resolution: 2.03 A. | 分子名称: | 3-oxo-5-beta-steroid 4-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROGESTERONE | 著者 | Di Costanzo, L, Drury, J, Penning, T.M, Christianson, D.W. | 登録日 | 2008-03-29 | 公開日 | 2008-04-08 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Crystal Structure of Human Liver {Delta}4-3-Ketosteroid 5{beta}-Reductase (AKR1D1) and Implications for Substrate Binding and Catalysis. J.Biol.Chem., 283, 2008
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3CMF
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![BU of 3cmf by Molmil](/molmil-images/mine/3cmf) | Crystal structure of human liver 5beta-reductase (AKR1D1) in complex with NADP and CORTISONE. Resolution 1.90 A. | 分子名称: | 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, 3-oxo-5-beta-steroid 4-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Di Costanzo, L, Drury, J, Penning, T.M, Christianson, D.W. | 登録日 | 2008-03-21 | 公開日 | 2008-04-08 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal Structure of Human Liver {Delta}4-3-Ketosteroid 5{beta}-Reductase (AKR1D1) and Implications for Substrate Binding and Catalysis. J.Biol.Chem., 283, 2008
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3BCJ
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![BU of 3bcj by Molmil](/molmil-images/mine/3bcj) | Crystal structure of Aldose Reductase complexed with 2S4R (Stereoisomer of Fidarestat, 2S4S) at 0.78 A | 分子名称: | (2S,4R)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CITRIC ACID, ... | 著者 | Zhao, H.T, El-Kabbani, O. | 登録日 | 2007-11-13 | 公開日 | 2008-04-08 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (0.78 Å) | 主引用文献 | Unusual Binding Mode of the 2S4R Stereoisomer of the Potent Aldose Reductase Cyclic Imide Inhibitor Fidarestat (2S4S) in the 15 K Crystal Structure of the Ternary Complex Refined at 0.78 A Resolution: Implications for the Inhibition Mechanism J.Med.Chem., 51, 2008
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