2ATI
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![BU of 2ati by Molmil](/molmil-images/mine/2ati) | Glycogen Phosphorylase Inhibitors | 分子名称: | Glycogen phosphorylase, liver form, N-(2-CHLORO-4-FLUOROBENZOYL)-N'-(5-HYDROXY-2-METHOXYPHENYL)UREA, ... | 著者 | Klabunde, T, Wendt, K.U, Kadereit, D, Brachvogel, V, Burger, H.J, Herling, A.W, Oikonomakos, N.G, Schmoll, D, Sarubbi, E, von Roedern, E, Schoenafinger, K, Defossa, E. | 登録日 | 2005-08-25 | 公開日 | 2006-08-25 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Acyl ureas as human liver glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. J.Med.Chem., 48, 2005
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4FA3
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![BU of 4fa3 by Molmil](/molmil-images/mine/4fa3) | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with (R)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid (86) | 分子名称: | (3R)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, ACETATE ION, ... | 著者 | Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A. | 登録日 | 2012-05-21 | 公開日 | 2012-10-10 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3 J.Med.Chem., 55, 2012
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4FAM
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![BU of 4fam by Molmil](/molmil-images/mine/4fam) | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoic acid (17) | 分子名称: | 1,2-ETHANEDIOL, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid, Aldo-keto reductase family 1 member C3, ... | 著者 | Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A. | 登録日 | 2012-05-22 | 公開日 | 2012-10-10 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3 J.Med.Chem., 55, 2012
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4FAL
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![BU of 4fal by Molmil](/molmil-images/mine/4fal) | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-methylbenzamide (80) | 分子名称: | 1,2-ETHANEDIOL, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-methylbenzamide, Aldo-keto reductase family 1 member C3, ... | 著者 | Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A. | 登録日 | 2012-05-22 | 公開日 | 2012-10-10 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3 J.Med.Chem., 55, 2012
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1Z7S
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![BU of 1z7s by Molmil](/molmil-images/mine/1z7s) | The crystal structure of coxsackievirus A21 | 分子名称: | CALCIUM ION, GUANOSINE-5'-MONOPHOSPHATE, Human COXSACKIEVIRUS A21, ... | 著者 | Xiao, C, Bator-Kelly, C.M, Rieder, E, Chipman, P.R, Craig, A, Kuhn, R.J, Wimmer, E, Rossmann, M.G. | 登録日 | 2005-03-28 | 公開日 | 2005-08-02 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | The crystal structure of coxsackievirus a21 and its interaction with icam-1. Structure, 13, 2005
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1Z7Z
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![BU of 1z7z by Molmil](/molmil-images/mine/1z7z) | Cryo-em structure of human coxsackievirus A21 complexed with five domain icam-1kilifi | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Intercellular adhesion molecule-1, human coxsackievirus A21 | 著者 | Xiao, C, Bator-Kelly, C.M, Rieder, E, Chipman, P.R, Craig, A, Kuhn, R.J, Wimmer, E, Rossmann, M.G. | 登録日 | 2005-03-28 | 公開日 | 2005-08-02 | 最終更新日 | 2021-10-20 | 実験手法 | ELECTRON MICROSCOPY (8 Å) | 主引用文献 | The crystal structure of coxsackievirus a21 and its interaction with icam-1. Structure, 13, 2005
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1NY3
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![BU of 1ny3 by Molmil](/molmil-images/mine/1ny3) | Crystal structure of ADP bound to MAP KAP kinase 2 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAP kinase-activated protein kinase 2 | 著者 | Underwood, K.W, Parris, K.D, Federico, E, Mosyak, L, Shane, T, Taylor, M, Svenson, K, Liu, Y, Hsiao, C.L, Wolfrom, S, Maguire, M, Malakian, K, Telliez, J.B, Lin, L.L, Kriz, R.W, Seehra, J, Somers, W.S, Stahl, M.L. | 登録日 | 2003-02-11 | 公開日 | 2003-10-14 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Catalytically active MAP KAP kinase 2 structures in complex with staurosporine and ADP reveal differences with the autoinhibited enzyme Structure, 11, 2003
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1NXK
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![BU of 1nxk by Molmil](/molmil-images/mine/1nxk) | Crystal structure of staurosporine bound to MAP KAP kinase 2 | 分子名称: | MAP kinase-activated protein kinase 2, STAUROSPORINE, SULFATE ION | 著者 | Underwood, K.W, Parris, K.D, Federico, E, Mosyak, L, Czerwinski, R.M, Shane, T, Taylor, M, Svenson, K, Liu, Y, Hsiao, C.L, Wolfrom, S, Malakian, K, Telliez, J.B, Lin, L.L, Kriz, R.W, Seehra, J, Somers, W.S, Stahl, M.L. | 登録日 | 2003-02-10 | 公開日 | 2003-10-14 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Catalytically active MAP KAP kinase 2 structures in complex with staurosporine and ADP reveal differences with the autoinhibited enzyme Structure, 11, 2003
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7QFL
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![BU of 7qfl by Molmil](/molmil-images/mine/7qfl) | Crystal structure of S-layer protein SlpA from Lactobacillus acidophilus, domain II (aa 199-308) | 分子名称: | ACETATE ION, PHOSPHATE ION, S-layer protein | 著者 | Sagmeister, T, Dordic, A, Eder, E, Pavkov-Keller, T. | 登録日 | 2021-12-06 | 公開日 | 2022-12-21 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids. Proc.Natl.Acad.Sci.USA, 121, 2024
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7QLH
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![BU of 7qlh by Molmil](/molmil-images/mine/7qlh) | Crystal structure of S-layer protein SlpA from Lactobacillus amylovorus, domain I (aa 48-213) | 分子名称: | PHOSPHATE ION, S-layer, SODIUM ION | 著者 | Grininger, C, Sagmeister, T, Eder, E, Vejzovic, D, Pavkov-Keller, T. | 登録日 | 2021-12-20 | 公開日 | 2022-12-28 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids. Proc.Natl.Acad.Sci.USA, 121, 2024
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1EUW
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![BU of 1euw by Molmil](/molmil-images/mine/1euw) | ATOMIC RESOLUTION STRUCTURE OF E. COLI DUTPASE | 分子名称: | DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, ETHYL MERCURY ION, GLYCEROL | 著者 | Gonzalez, A, Cedergren, E, Larsson, G, Persson, R. | 登録日 | 2000-04-17 | 公開日 | 2000-05-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Atomic resolution structure of Escherichia coli dUTPase determined ab initio. Acta Crystallogr.,Sect.D, 57, 2001
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4UWM
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![BU of 4uwm by Molmil](/molmil-images/mine/4uwm) | Type II Baeyer-Villiger monooxygenase.The oxygenating constituent of 3,6-diketocamphane monooxygenase from CAM plasmid of Pseudomonas putida in complex with FMN. | 分子名称: | 3,6-DIKETOCAMPHANE 1,6 MONOOXYGENASE, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ... | 著者 | Isupov, M.N, Schroeder, E, Gibson, R.P, Beecher, J, Donadio, G, Saneei, V, Dcunha, S, McGhie, E.J, Sayer, C, Davenport, C.F, Lau, P.C, Hasegawa, Y, Iwaki, H, Kadow, M, Loschinski, K, Bornscheuer, U.T, Bourenkov, G, Littlechild, J.A. | 登録日 | 2014-08-12 | 公開日 | 2015-08-26 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The Oxygenating Constituent of 3,6-Diketocamphane Monooxygenase from the Cam Plasmid of Pseudomonas Putida: The First Crystal Structure of a Type II Baeyer-Villiger Monooxygenase. Acta Crystallogr.,Sect.D, 71, 2015
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1WV0
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![BU of 1wv0 by Molmil](/molmil-images/mine/1wv0) | Crystallographic studies on acyl ureas, a new class of inhibitors of glycogen phosphorylase. Broad specificity of the allosteric site | 分子名称: | 4-[4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-2,3-DIMETHYLPHENOXY]BUTANOIC ACID, Glycogen phosphorylase, muscle form, ... | 著者 | Oikonomakos, N.G, Kosmopoulou, M.N, Chrysina, E.D, Leonidas, D.D, Klabunde, T, Wendt, K.U, Defossa, E. | 登録日 | 2004-12-10 | 公開日 | 2005-12-10 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs Protein Sci., 14, 2005
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1WV1
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![BU of 1wv1 by Molmil](/molmil-images/mine/1wv1) | Crystallographic studies on acyl ureas, a new class of inhibitors of glycogenphosphorylase. Broad specificity of the allosteric site | 分子名称: | 5-[3-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-2-METHYLPHENOXY]PENTANOIC ACID, Glycogen phosphorylase, muscle form, ... | 著者 | Oikonomakos, N.G, Kosmopoulou, M.N, Chrysina, E.D, Leonidas, D.D, Klabunde, T, Wendt, K.U, Defossa, E. | 登録日 | 2004-12-10 | 公開日 | 2005-12-10 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs Protein Sci., 14, 2005
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1WUY
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![BU of 1wuy by Molmil](/molmil-images/mine/1wuy) | Crystallographic studies on acyl ureas, a new class of inhibitors of glycogen phosphorylase. Broad specificity of the allosteric site | 分子名称: | 4-[3-CHLORO-4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]BUTANOIC ACID, Glycogen phosphorylase, muscle form, ... | 著者 | Oikonomakos, N.G, Kosmopoulou, M.N, Chrysina, E.D, Leonidas, D.D, Klabunde, T, Wendt, K.U, Defossa, E. | 登録日 | 2004-12-09 | 公開日 | 2005-12-09 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs Protein Sci., 14, 2005
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1WUT
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![BU of 1wut by Molmil](/molmil-images/mine/1wut) | Acyl Ureas as Human Liver Glycogen Phosphorylase Inhibitors for the Treatment of Type 2 Diabetes | 分子名称: | 7-[2,6-DICHLORO-4-({[(2-CHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]HEPTANOIC ACID, Glycogen phosphorylase, muscle form, ... | 著者 | Klabunde, T, Wendt, K.U, Kadereit, D, Brachvogel, V, Burger, H.-J, Herling, A.W, Oikonomakos, N.G, Kosmopoulou, M.N, Schmoll, D, Sarubbi, E, von Roedern, E, Schonafinger, K, Defossa, E. | 登録日 | 2004-12-08 | 公開日 | 2005-12-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs Protein Sci., 14, 2005
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1DUP
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![BU of 1dup by Molmil](/molmil-images/mine/1dup) | DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDO HYDROLASE (D-UTPASE) | 分子名称: | DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE | 著者 | Dauter, Z, Wilson, K.S, Larsson, G, Nyman, P.O, Cedergren, E. | 登録日 | 1995-09-01 | 公開日 | 1995-11-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of a dUTPase. Nature, 355, 1992
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5AEC
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![BU of 5aec by Molmil](/molmil-images/mine/5aec) | Type II Baeyer-Villiger monooxygenase.The oxygenating constituent of 3,6-diketocamphane monooxygenase from CAM plasmid of Pseudomonas putida in complex with FMN. | 分子名称: | 3,6-DIKETOCAMPHANE 1,6 MONOOXYGENASE, CHLORIDE ION, GLYCEROL, ... | 著者 | Isupov, M.N, Schroeder, E, Gibson, R.P, Beecher, J, Donadio, G, Saneei, V, Dcunha, S, McGhie, E.J, Sayer, C, Davenport, C.F, Lau, P.C, Hasegawa, Y, Iwaki, H, Kadow, M, Loschinski, K, Bornscheuer, U.T, Bourenkov, G, Littlechild, J.A. | 登録日 | 2015-08-28 | 公開日 | 2015-09-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | The Oxygenating Constituent of 3,6-Diketocamphane Monooxygenase from the Cam Plasmid of Pseudomonas Putida: The First Crystal Structure of a Type II Baeyer-Villiger Monooxygenase. Acta Crystallogr.,Sect.D, 71, 2015
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2WZR
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![BU of 2wzr by Molmil](/molmil-images/mine/2wzr) | The Structure of Foot and Mouth Disease Virus Serotype SAT1 | 分子名称: | POLYPROTEIN | 著者 | Adams, P, Lea, S, Newman, J, Blakemore, W, King, A, Stuart, D, Fry, E. | 登録日 | 2009-12-02 | 公開日 | 2010-12-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | The Structure of Foot-and-Mouth Disease Virus Serotype Sat1. To be Published
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7RP0
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![BU of 7rp0 by Molmil](/molmil-images/mine/7rp0) | Structural Snapshots of Intermediates in the Gating of a K+ Channel | 分子名称: | DIACYL GLYCEROL, KcsA Fab chain A, KcsA Fab chain B, ... | 著者 | Reddi, R, Matulef, K, Riederer, E.A, Valiyaveetil, F.I. | 登録日 | 2021-08-02 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Structures of Gating Intermediates in a K + channell. J.Mol.Biol., 433, 2021
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4H7C
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![BU of 4h7c by Molmil](/molmil-images/mine/4h7c) | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 1-{4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl}-2-pyrrolidinone | 分子名称: | 1-(4-{[(2R)-2-methylpiperidin-1-yl]sulfonyl}phenyl)-1,3-dihydro-2H-pyrrol-2-one, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Turnbull, A.P, Heinrich, D, Jamieson, S.M.F, Flanagan, J.U, Silva, S, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Denny, W.A. | 登録日 | 2012-09-20 | 公開日 | 2013-03-20 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Synthesis and structure-activity relationships for 1-(4-(piperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-ones as novel non-carboxylate inhibitors of the aldo-keto reductase enzyme AKR1C3. Eur.J.Med.Chem., 62C, 2013
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4HMN
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![BU of 4hmn by Molmil](/molmil-images/mine/4hmn) | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with (4-(4-Chlorophenyl)piperazin-1-yl)(morpholino)methanone (24) | 分子名称: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Turnbull, A.P, Flanagan, J.U, Atwell, G.J, Heinrich, D.M, Jamieson, S.M.F, Brooke, D.G, Silva, S, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Denny, W.A. | 登録日 | 2012-10-18 | 公開日 | 2013-11-13 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Morpholylureas are a new class of potent and selective inhibitors of the type 5 17-beta-hydroxysteroid dehydrogenase (AKR1C3). Bioorg.Med.Chem., 22, 2014
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5FR9
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![BU of 5fr9 by Molmil](/molmil-images/mine/5fr9) | Structure of transaminase ATA-117 arRmut11 from Arthrobacter sp. KNK168 inhibited with 1-(4-Bromophenyl)-2-fluoroethylamine | 分子名称: | (R)-AMINE TRANSAMINASE, [4-[3-(4-bromophenyl)-3-oxidanylidene-propyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl phosphate | 著者 | Cuetos, A, Kroutil, W, Lavandera, I, Grogan, G. | 登録日 | 2015-12-16 | 公開日 | 2016-03-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Catalytic Promiscuity of Transaminases: Preparation of Enantioenriched Beta-Fluoroamines by Formal Tandem Hydrodefluorination/Deamination. Angew.Chem.Int.Ed.Engl., 55, 2016
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6D4B
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![BU of 6d4b by Molmil](/molmil-images/mine/6d4b) | Crystal structure of Candida boidinii formate dehydrogenase V123A mutant complexed with NAD+ and azide | 分子名称: | AZIDE ION, CHLORIDE ION, Formate dehydrogenase, ... | 著者 | Guo, Q, Ye, H, Gakhar, L, Cheatum, C.M, Kohen, A. | 登録日 | 2018-04-17 | 公開日 | 2019-04-24 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Oscillatory Active-site Motions Correlate with Kinetic Isotope Effects in Formate Dehydrogenase Acs Catalysis, 2019
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6D4C
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![BU of 6d4c by Molmil](/molmil-images/mine/6d4c) | Crystal structure of Candida boidinii formate dehydrogenase V123G mutant complexed with NAD+ and azide | 分子名称: | AZIDE ION, CHLORIDE ION, Formate dehydrogenase, ... | 著者 | Guo, Q, Ye, H, Gakhar, L, Cheatum, C.M, Kohen, A. | 登録日 | 2018-04-17 | 公開日 | 2019-04-24 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Oscillatory Active-site Motions Correlate with Kinetic Isotope Effects in Formate Dehydrogenase Acs Catalysis, 2019
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