PDB: 486 件ウェブページステータス検索Chemie searchBIRD

---

4NKC	Human Aldose Reductase complexed with Schl7764 at 1.12 A 分子名称: (2Z)-3-(3'-nitrobiphenyl-3-yl)prop-2-enoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Rechlin, C, Heine, A, Klebe, G. 登録日 2013-11-12 公開日 2015-03-04 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Keys to open the specificity pocket: Biaryl Inhibitors of the human aldose reductase To be Published
4L1W	Crystal Structuer of Human 3-alpha Hydroxysteroid Dehydrogenase Type 3 in Complex with NADP+ and Progesterone 分子名称: Aldo-keto reductase family 1 member C2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROGESTERONE, ... 著者 Zhang, B, Hu, X.-J, Lin, S.-X. 登録日 2013-06-03 公開日 2014-04-16 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Human 3-alpha hydroxysteroid dehydrogenase type 3 (3 alpha-HSD3): The V54L mutation restricting the steroid alternative binding and enhancing the 20 alpha-HSD activity J.Steroid Biochem.Mol.Biol., 141, 2014
3WBW	Crystal structure of Gox0644 in complex with NADPH 分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative 2,5-diketo-D-gluconic acid reductase, SULFATE ION 著者 Yuan, Y.A, Wang, C. 登録日 2013-05-22 公開日 2014-05-28 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Crystal structure of Gox0644 in complex with NADPH To be Published
3WG6	Crystal structure of conjugated polyketone reductase C1 from Candida parapsilosis complexed with NADPH 分子名称: Conjugated polyketone reductase C1, 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 2013-07-28 公開日 2013-08-21 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal structure of conjugated polyketone reductase (CPR-C1) from Candida parapsilosis IFO 0708 complexed with NADPH. Proteins, 81, 2013
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
3BUR	Crystal structure of Delta(4)-3-ketosteroid 5-beta-reductase in complex with NADP and TESTOSTERONE. RESOLUTION: 1.62 A. 分子名称: 3-oxo-5-beta-steroid 4-dehydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Di Costanzo, L, Christianson, D.W. 登録日 2008-01-03 公開日 2008-04-01 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.62 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
4AUB	the complex Structure of the bacterial aldo-keto reductase AKR14A1 with NADP and citrate 分子名称: ALDO-KETO REDUCTASE AKR14A1, CITRATE ANION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Zhu, X, Ellis, E.M, Lapthorn, A. 登録日 2012-05-16 公開日 2012-06-06 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 The Diversity of Microbial Aldo/Keto Reductases from Escherichia Coli K12. Chem.Biol.Interact, 202, 2013
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
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
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
1A80	Native 2,5-DIKETO-D-GLUCONIC acid reductase a from CORYNBACTERIUM SP. complexed with nadph 分子名称: 2,5-DIKETO-D-GLUCONIC ACID REDUCTASE A, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Khurana, S, Powers, D.B, Anderson, S, Blaber, M. 登録日 1998-03-31 公開日 1999-03-30 最終更新日 2023-08-02 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structure of 2,5-diketo-D-gluconic acid reductase A complexed with NADPH at 2.1-A resolution. Proc.Natl.Acad.Sci.USA, 95, 1998
1ADS	AN UNLIKELY SUGAR SUBSTRATE SITE IN THE 1.65 ANGSTROMS STRUCTURE OF THE HUMAN ALDOSE REDUCTASE HOLOENZYME IMPLICATED IN DIABETIC COMPLICATIONS 分子名称: ALDOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Wilson, D.K, Quiocho, F.A. 登録日 1992-07-08 公開日 1993-10-31 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 An unlikely sugar substrate site in the 1.65 A structure of the human aldose reductase holoenzyme implicated in diabetic complications. Science, 257, 1992
8A4N	Structure of Human Aldose Reductase Mutant L300G with a Citrate Molecule Bound in the Anion Binding Pocket 分子名称: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Hubert, L.-S, Heine, A, Klebe, G. 登録日 2022-06-13 公開日 2023-07-05 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (0.93 Å) 主引用文献 Structure of Human Aldose Reductase Mutant L300G with a Citrate Molecule Bound in the Anion Binding Pocket To Be Published
8AQG	Structure of Human Aldose Reductase Mutant A299G/L300G with a Citrate Molecule Bound in the Anion Binding Pocket 分子名称: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Hubert, L.-S, Heine, A, Klebe, G. 登録日 2022-08-12 公開日 2023-08-23 実験手法 X-RAY DIFFRACTION (0.95 Å) 主引用文献 Structure of Human Aldose Reductase Mutant A299/L300G with a Citrate Molecule Bound in the Anion Binding Pocket To Be Published
8AQP	Structure of Human Aldose Reductase Mutant A299G/L300A with a Citrate Molecule Bound in the Anion Binding Pocket 分子名称: Aldo-keto reductase family 1 member B1, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... 著者 Hubert, L.-S, Heine, A, Klebe, G. 登録日 2022-08-13 公開日 2023-08-23 実験手法 X-RAY DIFFRACTION (0.96 Å) 主引用文献 Structure of Human Aldose Reductase Mutant A299G/L300A with a Citrate Molecule Bound in the Anion Binding Pocket To Be Published
8AUU	Human Aldose Reductase Mutant A299G in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) 分子名称: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Hubert, L.-S, Heine, A, Klebe, G. 登録日 2022-08-25 公開日 2023-09-06 実験手法 X-RAY DIFFRACTION (0.95 Å) 主引用文献 Human Aldose Reductase Mutant A299G in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) To Be Published
8AE9	Human Aldose Reductase in Complex with a Hydroxyphenyl-Thiophen-Acid Inhibitor (Schl32357) 分子名称: 5-(5-(3-hydroxyphenyl)thiophen-2-yl)pentanoic acid, Aldose reductase, DIMETHYL SULFOXIDE, ... 著者 Hubert, L.-S, Heine, A, Klebe, G, Reul, S. 登録日 2022-07-12 公開日 2023-08-16 実験手法 X-RAY DIFFRACTION (0.95 Å) 主引用文献 Human Aldose Reductase in Complex with a Hydroxyphenyl-Thiophen-Acid Inhibitor (Schl32357) To Be Published
8BBS	Structure of AKR1C3 in complex with a bile acid fused tetrazole inhibitor 分子名称: (4~{R})-4-[(1~{R},2~{S},5~{R},6~{R},13~{S},14~{S},17~{R},19~{R})-6,14-dimethyl-17-oxidanyl-7,8,9,10-tetrazapentacyclo[11.8.0.0^{2,6}.0^{7,11}.0^{14,19}]henicosa-8,10-dien-5-yl]pentanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Petri, E.T, Skerlova, J, Marinovic, M, Brynda, J, Kugler, M, Skoric, D, Bekic, S, Celic, A.S, Rezacova, P. 登録日 2022-10-14 公開日 2023-03-08 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 X-ray structure of human aldo-keto reductase 1C3 in complex with a bile acid fused tetrazole inhibitor: experimental validation, molecular docking and structural analysis. Rsc Med Chem, 14, 2023
8B3N	Human Aldose Reductase Mutant A299G/L300G in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) 分子名称: 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldo-keto reductase family 1 member B1, CITRIC ACID, ... 著者 Hubert, L.-S, Heine, A, Klebe, G. 登録日 2022-09-16 公開日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.03 Å) 主引用文献 Human Aldose Reductase Mutant A299G/L300G in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) To Be Published
8B34	Structure of Human Aldose Reductase Mutant A299G with a Citrate Molecule Bound in the Anion Binding Pocket 分子名称: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Hubert, L.-S, Heine, A, Klebe, G. 登録日 2022-09-15 公開日 2023-09-27 実験手法 X-RAY DIFFRACTION (0.97 Å) 主引用文献 Structure of Human Aldose Reductase Mutant A299G with a Citrate Molecule Bound in the Anion Binding Pocket To Be Published
8B3R	Human Aldose Reductase Mutant A299G/L300G in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) 分子名称: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Hubert, L.-S, Heine, A, Klebe, G. 登録日 2022-09-16 公開日 2023-09-27 実験手法 X-RAY DIFFRACTION (0.96 Å) 主引用文献 Human Aldose Reductase Mutant A299G/L300G in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) To Be Published
8B66	Human Aldose Reductase Mutant A299G in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) 分子名称: 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldo-keto reductase family 1 member B1, CITRIC ACID, ... 著者 Hubert, L.-S, Heine, A, Klebe, G. 登録日 2022-09-26 公開日 2023-10-11 実験手法 X-RAY DIFFRACTION (0.95 Å) 主引用文献 Human Aldose Reductase Mutant A299G in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) To Be Published
8BJL	Human Aldose Reductase in Complex with a Ligand with a Fluoro-Indol-Acetic-Acid Structure (Schl44172) 分子名称: 2-(6-fluoranylindol-1-yl)ethanoic acid, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... 著者 Hubert, L.-S, Heine, A, Klebe, G. 登録日 2022-11-04 公開日 2023-11-15 実験手法 X-RAY DIFFRACTION (0.97 Å) 主引用文献 Human Aldose Reductase in Complex with a Ligand with a Fluoro-Indol-Acetic-Acid Structure (Schl44172) To Be Published
1AZ2	CITRATE BOUND, C298A/W219Y MUTANT HUMAN ALDOSE REDUCTASE 分子名称: ALDOSE REDUCTASE, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Harrison, D.H, Bohren, K.M, Ringe, D, Petsko, G.A, Gabbay, K.H. 登録日 1997-11-24 公開日 1998-03-18 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 The alrestatin double-decker: binding of two inhibitor molecules to human aldose reductase reveals a new specificity determinant. Biochemistry, 36, 1997
1AE4	ALDEHYDE REDUCTASE COMPLEXED WITH COFACTOR AND INHIBITOR, ALPHA CARBON ATOMS ONLY 分子名称: ALDEHYDE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TOLRESTAT 著者 El-Kabbani, O. 登録日 1997-03-05 公開日 1998-03-11 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Studies on the inhibitor-binding site of porcine aldehyde reductase: crystal structure of the holoenzyme-inhibitor ternary complex. Proteins, 29, 1997

<234567891011121314151617>