4YVX
 
 | | Crystal structure of AKR1C3 complexed with glimepiride | | 分子名称: | 3-ethyl-4-methyl-N-[2-(4-{[(cis-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-car boxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Zhao, Y, Zheng, X, Zhang, H, Hu, X. | | 登録日 | 2015-03-20 | | 公開日 | 2015-11-25 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis
Chem.Biol.Interact., 240, 2015
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4YVP
 | | Crystal Structure of AKR1C1 complexed with glibenclamide | | 分子名称: | 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Zhao, Y, Zheng, X, Zhang, H, Hu, X. | | 登録日 | 2015-03-20 | | 公開日 | 2015-11-25 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis
Chem.Biol.Interact., 240, 2015
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4X2A
 | | Crystal structure of mouse glyoxalase I complexed with baicalein | | 分子名称: | 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one, Lactoylglutathione lyase, ZINC ION | | 著者 | Zhang, H, Zhai, J, Zhang, L, Li, C, Zhao, Y, Hu, X. | | 登録日 | 2014-11-26 | | 公開日 | 2015-09-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | In Vitro Inhibition of Glyoxalase І by Flavonoids: New Insights from Crystallographic Analysis.
Curr Top Med Chem, 16, 2016
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4GQG
 | | Crystal structure of AKR1B10 complexed with NADP+ | | 分子名称: | Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Zhang, L, Zheng, X, Chen, S, Zhai, J, Hu, X. | | 登録日 | 2012-08-23 | | 公開日 | 2013-08-28 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111)
Febs Lett., 587, 2013
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4JIH
 | | Crystal Structure Of AKR1B10 Complexed With NADP+ And Epalrestat | | 分子名称: | Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid | | 著者 | Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC) | | 登録日 | 2013-03-06 | | 公開日 | 2013-10-23 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
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4JIR
 | | Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And Epalrestat | | 分子名称: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... | | 著者 | Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X. | | 登録日 | 2013-03-06 | | 公開日 | 2013-10-23 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
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4JII
 | | Crystal Structure Of AKR1B10 Complexed With NADP+ And Zopolrestat | | 分子名称: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC) | | 登録日 | 2013-03-06 | | 公開日 | 2013-10-23 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
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6U7V
 | | xRRM structure of spPof8 | | 分子名称: | NITRATE ION, Protein pof8 | | 著者 | Kim, J.-K, Hu, X, Yu, C, Jun, H.-I, Liu, J, Sankaran, B, Huang, L, Qiao, F. | | 登録日 | 2019-09-03 | | 公開日 | 2020-09-09 | | 最終更新日 | 2021-03-24 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Quality-Control Mechanism for Telomerase RNA Folding in the Cell.
Cell Rep, 33, 2020
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6V6A
 | | Inhibitory scaffolding of the ancient MAPK, ERK7 | | 分子名称: | 1,2-ETHANEDIOL, Apical Cap Protein 9 (AC9), Mitogen-activated protein kinase | | 著者 | Dewangan, P.S, O'Shaughnessy, W.J, Back, P.S, Hu, X, Bradley, P.J, Reese, M.L. | | 登録日 | 2019-12-04 | | 公開日 | 2020-05-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Ancient MAPK ERK7 is regulated by an unusual inhibitory scaffold required forToxoplasmaapical complex biogenesis.
Proc.Natl.Acad.Sci.USA, 117, 2020
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4JBH
 | | 2.2A resolution structure of cobalt and zinc bound thermostable alcohol dehydrogenase from Pyrobaculum aerophilum | | 分子名称: | Alcohol dehydrogenase (Zinc), CHLORIDE ION, COBALT (II) ION, ... | | 著者 | Lovell, S, Battaile, K.P, Vitale, A, Throne, N, Hu, X, Shen, M, D'Auria, S, Auld, D.S. | | 登録日 | 2013-02-19 | | 公開日 | 2013-06-19 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Physicochemical Characterization of a Thermostable Alcohol Dehydrogenase from Pyrobaculum aerophilum.
Plos One, 8, 2013
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4JBI
 | | 2.35A resolution structure of NADPH bound thermostable alcohol dehydrogenase from Pyrobaculum aerophilum | | 分子名称: | Alcohol dehydrogenase (Zinc), NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION | | 著者 | Lovell, S, Battaile, K.P, Vitale, A, Throne, N, Hu, X, Shen, M, D'Auria, S, Auld, D.S. | | 登録日 | 2013-02-19 | | 公開日 | 2013-06-19 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Physicochemical Characterization of a Thermostable Alcohol Dehydrogenase from Pyrobaculum aerophilum.
Plos One, 8, 2013
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2KAX
 | | Solution structure and dynamics of S100A5 in the apo and Ca2+ -bound states | | 分子名称: | Protein S100-A5 | | 著者 | Bertini, I, Das Gupta, S, Hu, X, Karavelas, T, Luchinat, C, Parigi, G, Yuan, J, Structural Proteomics in Europe (SPINE), Structural Proteomics in Europe 2 (SPINE-2) | | 登録日 | 2008-11-17 | | 公開日 | 2009-06-30 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure and dynamics of S100A5 in the apo and Ca2+-bound states
J.Biol.Inorg.Chem., 14, 2009
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4JBG
 | | 1.75A resolution structure of a thermostable alcohol dehydrogenase from Pyrobaculum aerophilum | | 分子名称: | Alcohol dehydrogenase (Zinc), CHLORIDE ION, PHOSPHATE ION, ... | | 著者 | Lovell, S, Battaile, K.P, Vitale, A, Throne, N, Hu, X, Shen, M, D'Auria, S, Auld, D.S. | | 登録日 | 2013-02-19 | | 公開日 | 2013-06-19 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Physicochemical Characterization of a Thermostable Alcohol Dehydrogenase from Pyrobaculum aerophilum.
Plos One, 8, 2013
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2KAY
 | | Solution structure and dynamics of S100A5 in the Ca2+ -bound states | | 分子名称: | CALCIUM ION, Protein S100-A5 | | 著者 | Bertini, I, Das Gupta, S, Hu, X, Karavelas, T, Luchinat, C, Parigi, G, Yuan, J, Structural Proteomics in Europe (SPINE), Structural Proteomics in Europe 2 (SPINE-2) | | 登録日 | 2008-11-17 | | 公開日 | 2009-06-30 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure and dynamics of S100A5 in the apo and Ca2+-bound states
J.Biol.Inorg.Chem., 14, 2009
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2L51
 | | Solution structure of calcium bound S100A16 | | 分子名称: | CALCIUM ION, Protein S100-A16 | | 著者 | Babini, E, Bertini, I, Borsi, V, Calderone, V, Hu, X, Luchinat, C, Parigi, G. | | 登録日 | 2010-10-22 | | 公開日 | 2010-11-03 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural characterization of human S100A16, a low-affinity calcium binder.
J.Biol.Inorg.Chem., 16, 2011
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2L50
 | | Solution structure of apo S100A16 | | 分子名称: | Protein S100-A16 | | 著者 | Babini, E, Bertini, I, Borsi, V, Calderone, V, Hu, X, Luchinat, C, Parigi, G. | | 登録日 | 2010-10-22 | | 公開日 | 2010-11-03 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural characterization of human S100A16, a low-affinity calcium binder.
J.Biol.Inorg.Chem., 16, 2011
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5HNT
 | | Crystal Structure of AKR1C3 complexed with CAPE | | 分子名称: | 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Li, C, Zhao, Y, Zhang, H, Hu, X. | | 登録日 | 2016-01-18 | | 公開日 | 2017-03-15 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structure of AKR1C3 complexed with octyl gallate
To Be Published
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5HNU
 | | Crystal Structure of AKR1C3 complexed with octyl gallate | | 分子名称: | Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, octyl 3,4,5-trihydroxybenzoate | | 著者 | Li, C, Zhao, Y, Zhang, H, Hu, X. | | 登録日 | 2016-01-18 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structure of AKR1C3 complexed with octyl gallte
To Be Published
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5WE1
 | | Structural Basis for Shelterin Bridge Assembly | | 分子名称: | Protection of telomeres protein poz1,Protection of telomeres protein poz1, Protection of telomeres protein tpz1, ZINC ION | | 著者 | Kim, J.-K, Liu, J, Hu, X, Yu, C, Roskamp, K, Sankaran, B, Huang, L, Komives, E.-A, Qiao, F. | | 登録日 | 2017-07-06 | | 公開日 | 2017-12-20 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.202 Å) | | 主引用文献 | Structural Basis for Shelterin Bridge Assembly.
Mol. Cell, 68, 2017
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5WE0
 | | Structural Basis for Shelterin Bridge Assembly | | 分子名称: | DNA-binding protein rap1, Protection of telomeres protein poz1, Protection of telomeres protein tpz1, ... | | 著者 | Kim, J.-K, Liu, J, Hu, X, Yu, C, Roskamp, K, Sankaran, B, Huang, L, Komives, E.-A, Qiao, F. | | 登録日 | 2017-07-06 | | 公開日 | 2017-12-20 | | 最終更新日 | 2020-01-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural Basis for Shelterin Bridge Assembly.
Mol. Cell, 68, 2017
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5WE2
 | | Structural Basis for Telomere Length Regulation by the Shelterin Bridge | | 分子名称: | DNA-binding protein rap1, Protection of telomeres protein poz1, Protection of telomeres protein tpz1, ... | | 著者 | Kim, J.-K, Liu, J, Hu, X, Sankaran, B, Qiao, F. | | 登録日 | 2017-07-06 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural Basis for Shelterin Bridge Assembly.
Mol. Cell, 68, 2017
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6HAC
 | | Crystal structure of [Fe]-hydrogenase (Hmd) holoenzyme from Methanococcus aeolicus (open form) | | 分子名称: | 5,10-methenyltetrahydromethanopterin hydrogenase, GLYCEROL, PENTAETHYLENE GLYCOL, ... | | 著者 | Huang, G, Wagner, T, Wodrich, M.D, Ataka, K, Bill, E, Ermler, U, Hu, X, Shima, S. | | 登録日 | 2018-08-07 | | 公開日 | 2019-08-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The atomic-resolution crystal structure of activated [Fe]-hydrogenase
Nat Catal, 2019
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6IJX
 | | Crystal Structure of AKR1C1 complexed with meclofenamic acid | | 分子名称: | 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Zheng, X, Zhao, Y, Zhang, L, Zhang, H, Chen, Y, Hu, X. | | 登録日 | 2018-10-12 | | 公開日 | 2019-10-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
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8W59
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8W5A
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