4OTK
| A structural characterization of the isoniazid Mycobacterium tuberculosis drug target, Rv2971, in its unliganded form | Descriptor: | CHLORIDE ION, MALONATE ION, Mycobacterial Enzyme Rv2971 | Authors: | Shahine, A, Beddoe, T. | Deposit date: | 2014-02-13 | Release date: | 2014-05-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A structural characterization of the isoniazid Mycobacterium tuberculosis drug target, Rv2971, in its unliganded form Acta Crystallogr.,Sect.F, 70, 2014
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4NKC
| Human Aldose Reductase complexed with Schl7764 at 1.12 A | Descriptor: | (2Z)-3-(3'-nitrobiphenyl-3-yl)prop-2-enoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Rechlin, C, Heine, A, Klebe, G. | Deposit date: | 2013-11-12 | Release date: | 2015-03-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Keys to open the specificity pocket: Biaryl Inhibitors of the human aldose reductase To be Published
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4MHB
| Structure of a putative reductase from Yersinia pestis | Descriptor: | Putative aldo/keto reductase, SULFATE ION | Authors: | Anderson, S.M, Wawrzak, Z, Kudritska, M, Kwon, K, Rembert, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-08-29 | Release date: | 2013-10-16 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of a putative reductase from Yersinia pestis To be Published
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3WG6
| Crystal structure of conjugated polyketone reductase C1 from Candida parapsilosis complexed with NADPH | Descriptor: | Conjugated polyketone reductase C1, 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: | 2013-07-28 | Release date: | 2013-08-21 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of conjugated polyketone reductase (CPR-C1) from Candida parapsilosis IFO 0708 complexed with NADPH. Proteins, 81, 2013
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4LBR
| Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | Deposit date: | 2013-06-21 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.8 Å) | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning. Acs Chem.Biol., 8, 2013
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4LBS
| Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | Deposit date: | 2013-06-21 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.76 Å) | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning. Acs Chem.Biol., 8, 2013
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4LAU
| Crystal structure of human AR complexed with NADP+ and {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | Deposit date: | 2013-06-20 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.843 Å) | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning. Acs Chem.Biol., 8, 2013
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4LB4
| Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | Deposit date: | 2013-06-20 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.8 Å) | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning. Acs Chem.Biol., 8, 2013
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4LB3
| Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | Deposit date: | 2013-06-20 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.8 Å) | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning. Acs Chem.Biol., 8, 2013
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4LAZ
| Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | Deposit date: | 2013-06-20 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning. Acs Chem.Biol., 8, 2013
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3WCZ
| Crystal structure of Bombyx mori aldo-keto reductase (AKR2E4) in complex with NADP | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase 2E, CITRIC ACID, ... | Authors: | Yamamoto, K, Wilson, D.K. | Deposit date: | 2013-06-05 | Release date: | 2014-01-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Identification, characterization, and crystal structure of an aldo-keto reductase (AKR2E4) from the silkworm Bombyx mori. Arch.Biochem.Biophys., 538, 2013
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4L1X
| Crystal Structuer of Human 3-alpha Hydroxysteroid Dehydrogenase Type 3 V54L Mutant in Complex with NADP+ and Progesterone | Descriptor: | Aldo-keto reductase family 1 member C2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROGESTERONE, ... | Authors: | Zhang, B, Hu, X.-J, Lin, S.-X. | Deposit date: | 2013-06-03 | Release date: | 2014-04-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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
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4L1W
| Crystal Structuer of Human 3-alpha Hydroxysteroid Dehydrogenase Type 3 in Complex with NADP+ and Progesterone | Descriptor: | Aldo-keto reductase family 1 member C2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROGESTERONE, ... | Authors: | Zhang, B, Hu, X.-J, Lin, S.-X. | Deposit date: | 2013-06-03 | Release date: | 2014-04-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 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
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3WBX
| Crystal structure of Gox0644 at apoform | Descriptor: | Putative 2,5-diketo-D-gluconic acid reductase, SULFATE ION | Authors: | Yuan, Y.A, Wang, C. | Deposit date: | 2013-05-22 | Release date: | 2014-05-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of Gox0644 at apoform TO BE PUBLISHED
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3WBW
| Crystal structure of Gox0644 in complex with NADPH | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative 2,5-diketo-D-gluconic acid reductase, SULFATE ION | Authors: | Yuan, Y.A, Wang, C. | Deposit date: | 2013-05-22 | Release date: | 2014-05-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of Gox0644 in complex with NADPH To be Published
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3WBY
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4JTR
| AKR1C2 complex with ibuprofen | Descriptor: | (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, ... | Authors: | Yosaatmadja, Y, Flanagan, J.U, Squire, C.J. | Deposit date: | 2013-03-24 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural basis of NSAID selectivity for the AKR1C family To be Published
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4JTQ
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4JTC
| Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Charybdotoxin in Cs+ | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Banerjee, A, Lee, A, Campbell, E, MacKinnon, R. | Deposit date: | 2013-03-23 | Release date: | 2013-06-12 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel. Elife, 2, 2013
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4JTA
| Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Charybdotoxin | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ... | Authors: | MacKinnon, R, Banerjee, A, Lee, A, Campbell, E. | Deposit date: | 2013-03-23 | Release date: | 2013-06-12 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel. Elife, 2, 2013
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4JTD
| Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Lys27Met mutant of Charybdotoxin | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ... | Authors: | Banerjee, A, Lee, A, Campbell, E, MacKinnon, R. | Deposit date: | 2013-03-23 | Release date: | 2013-06-12 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel. Elife, 2, 2013
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4JQA
| AKR1C2 complex with mefenamic acid | Descriptor: | 1,2-ETHANEDIOL, 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, Aldo-keto reductase family 1 member C2, ... | Authors: | Yosaatmadja, Y, Flanagan, J.U, Squire, C.J. | Deposit date: | 2013-03-20 | Release date: | 2014-04-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural basis of NSAID selectivity for the aldo-keto reductase 1C family To be Published
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4JQ2
| AKR1C2 complex with sulindac | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, L(+)-TARTARIC ACID, ... | Authors: | Yosaatmadja, Y, Flanagan, J.U, Squire, C.J. | Deposit date: | 2013-03-19 | Release date: | 2014-04-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis of NSAID selectivity for the aldo-keto reductase 1C family To be Published
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4JQ3
| AKR1C2 complex with zomepirac | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, L(+)-TARTARIC ACID, ... | Authors: | Yosaatmadja, Y, Flanagan, J.U, Squire, C.J. | Deposit date: | 2013-03-19 | Release date: | 2014-04-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis of NSAID selectivity for the aldo-keto reductase 1C family To be Published
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4JQ4
| AKR1C2 complex with indomethacin | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, INDOMETHACIN, ... | Authors: | Yosaatmadja, Y, Flanagan, J.U, Squire, C.J. | Deposit date: | 2013-03-19 | Release date: | 2014-04-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structural basis of NSAID selectivity for the aldo-keto reductase 1C family To be Published
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