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4OTK
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BU of 4otk by Molmil
A structural characterization of the isoniazid Mycobacterium tuberculosis drug target, Rv2971, in its unliganded form
分子名称: CHLORIDE ION, MALONATE ION, Mycobacterial Enzyme Rv2971
著者Shahine, A, Beddoe, T.
登録日2014-02-13
公開日2014-05-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A structural characterization of the isoniazid Mycobacterium tuberculosis drug target, Rv2971, in its unliganded form
Acta Crystallogr.,Sect.F, 70, 2014
4NKC
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BU of 4nkc by Molmil
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
4MHB
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BU of 4mhb by Molmil
Structure of a putative reductase from Yersinia pestis
分子名称: Putative aldo/keto reductase, SULFATE ION
著者Anderson, S.M, Wawrzak, Z, Kudritska, M, Kwon, K, Rembert, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-08-29
公開日2013-10-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of a putative reductase from Yersinia pestis
To be Published
3WG6
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BU of 3wg6 by Molmil
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
4LBR
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BU of 4lbr by Molmil
Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
登録日2013-06-21
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
4LBS
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BU of 4lbs by Molmil
Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
登録日2013-06-21
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.76 Å)
主引用文献Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
4LAU
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BU of 4lau by Molmil
Crystal structure of human AR complexed with NADP+ and {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
登録日2013-06-20
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.843 Å)
主引用文献Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
4LB4
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BU of 4lb4 by Molmil
Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
登録日2013-06-20
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
4LB3
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BU of 4lb3 by Molmil
Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
登録日2013-06-20
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
4LAZ
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BU of 4laz by Molmil
Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
登録日2013-06-20
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
3WCZ
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BU of 3wcz by Molmil
Crystal structure of Bombyx mori aldo-keto reductase (AKR2E4) in complex with NADP
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase 2E, CITRIC ACID, ...
著者Yamamoto, K, Wilson, D.K.
登録日2013-06-05
公開日2014-01-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Identification, characterization, and crystal structure of an aldo-keto reductase (AKR2E4) from the silkworm Bombyx mori.
Arch.Biochem.Biophys., 538, 2013
4L1X
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BU of 4l1x by Molmil
Crystal Structuer of Human 3-alpha Hydroxysteroid Dehydrogenase Type 3 V54L Mutant 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 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
4L1W
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BU of 4l1w by Molmil
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
3WBX
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BU of 3wbx by Molmil
Crystal structure of Gox0644 at apoform
分子名称: 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 (2.4 Å)
主引用文献Crystal structure of Gox0644 at apoform
TO BE PUBLISHED
3WBW
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BU of 3wbw by Molmil
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
3WBY
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BU of 3wby by Molmil
Crystal structure of Gox0644 D53A mutant in complex with NADPH
分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative 2,5-diketo-D-gluconic acid reductase
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 (3.2 Å)
主引用文献Crystal structure of Gox0644 D53A mutant in complex with NADPH
To be Published
4JTR
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BU of 4jtr by Molmil
AKR1C2 complex with ibuprofen
分子名称: (2R)-2-[4-(2-methylpropyl)phenyl]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2013-03-24
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural basis of NSAID selectivity for the AKR1C family
To be Published
4JTQ
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BU of 4jtq by Molmil
AKR1C2 complex with flurbiprofen
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, FLURBIPROFEN, ...
著者Yosaatmadja, Y, Flanagan, J.U, Squire, C.J.
登録日2013-03-24
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis of NSAID selectivity for the AKR1C family
To be Published
4JTC
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BU of 4jtc by Molmil
Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Charybdotoxin in Cs+
分子名称: (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, ...
著者Banerjee, A, Lee, A, Campbell, E, MacKinnon, R.
登録日2013-03-23
公開日2013-06-12
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel.
Elife, 2, 2013
4JTA
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BU of 4jta by Molmil
Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Charybdotoxin
分子名称: (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, ...
著者MacKinnon, R, Banerjee, A, Lee, A, Campbell, E.
登録日2013-03-23
公開日2013-06-12
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel.
Elife, 2, 2013
4JTD
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BU of 4jtd by Molmil
Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Lys27Met mutant of Charybdotoxin
分子名称: (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, ...
著者Banerjee, A, Lee, A, Campbell, E, MacKinnon, R.
登録日2013-03-23
公開日2013-06-12
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel.
Elife, 2, 2013
4JQA
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BU of 4jqa by Molmil
AKR1C2 complex with mefenamic acid
分子名称: 1,2-ETHANEDIOL, 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, Aldo-keto reductase family 1 member C2, ...
著者Yosaatmadja, Y, Flanagan, J.U, Squire, C.J.
登録日2013-03-20
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural basis of NSAID selectivity for the aldo-keto reductase 1C family
To be Published
4JQ2
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BU of 4jq2 by Molmil
AKR1C2 complex with sulindac
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, L(+)-TARTARIC ACID, ...
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 (1.75 Å)
主引用文献Structural basis of NSAID selectivity for the aldo-keto reductase 1C family
To be Published
4JQ3
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BU of 4jq3 by Molmil
AKR1C2 complex with zomepirac
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, L(+)-TARTARIC ACID, ...
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 (1.75 Å)
主引用文献Structural basis of NSAID selectivity for the aldo-keto reductase 1C family
To be Published
4JQ4
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AKR1C2 complex with indomethacin
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, INDOMETHACIN, ...
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 (1.52 Å)
主引用文献Structural basis of NSAID selectivity for the aldo-keto reductase 1C family
To be Published

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