8DP5
 
 | | Structure of the PEAK3/14-3-3 complex | | 分子名称: | 14-3-3 protein beta/alpha, 14-3-3 protein epsilon, Protein PEAK3, ... | | 著者 | Torosyan, H, Paul, M, Jura, N, Verba, K.A. | | 登録日 | 2022-07-14 | | 公開日 | 2023-06-28 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural insights into regulation of the PEAK3 pseudokinase scaffold by 14-3-3.
Nat Commun, 14, 2023
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1ZQT
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5BKD
 | | Crystal structure of AAD-1 in complex with (R)-cyhalofop, Mn(II), and 2-oxoglutarate | | 分子名称: | (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid, (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, ... | | 著者 | Chekan, J.R, Nair, S.K. | | 登録日 | 2019-06-02 | | 公開日 | 2019-06-12 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6SPS
 | | Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-(trifluoromethyl)benzamide | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(trifluoromethyl)benzamide, DIMETHYL SULFOXIDE, ... | | 著者 | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | | 登録日 | 2019-09-02 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
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2FZD
 | | Human aldose reductase complexed with tolrestat at 1.08 A resolution. | | 分子名称: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TOLRESTAT, aldose reductase | | 著者 | Steuber, H, Zentgraf, M, Gerlach, C, Sotriffer, C.A, Heine, A, Klebe, G. | | 登録日 | 2006-02-09 | | 公開日 | 2006-10-03 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | Expect the Unexpected or Caveat for Drug Designers: Multiple Structure Determinations Using Aldose Reductase Crystals Treated under Varying Soaking and Co-crystallisation Conditions.
J.Mol.Biol., 363, 2006
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5BNF
 | | Apo structure of porcine CD38 | | 分子名称: | Uncharacterized protein | | 著者 | Ting, K.Y, Leung, C.P.F, Graeff, R.M, Lee, H.C, Hao, Q, Kotaka, M. | | 登録日 | 2015-05-26 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Porcine CD38 exhibits prominent secondary NAD(+) cyclase activity.
Protein Sci., 25, 2016
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3M64
 | | Human aldose reductase mutant T113V complexed with IDD393 | | 分子名称: | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Koch, C, Heine, A, Klebe, G. | | 登録日 | 2010-03-15 | | 公開日 | 2011-03-09 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Ligand-induced fit affects binding modes and provokes changes in crystal packing of aldose reductase
Biochim.Biophys.Acta, 1810, 2011
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2F7Z
 | | Protein Kinase A bound to (R)-1-(1H-Indol-3-ylmethyl)-2-(2-pyridin-4-yl-[1,7]naphtyridin-5-yloxy)-ehylamine | | 分子名称: | (1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE, PKI, inhibitory peptide, ... | | 著者 | Li, Q, Woods, K.W, Thomas, S, Zhu, G.D, Packard, G, Fisher, J, Li, T, Gong, J, Dinges, J, Song, X, Abrams, J, Luo, Y, Johnson, E.F, Shi, Y, Liu, X, Klinghofer, V, Des Jong, R, Oltersdorf, T, Stoll, V.S, Jakob, C.G, Rosenberg, S.H, Giranda, V.L. | | 登録日 | 2005-12-01 | | 公開日 | 2006-06-27 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer.
Bioorg.Med.Chem.Lett., 16, 2006
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1AAT
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6SSX
 | | cryo-em structure of alpha-synuclein fibril polymorph 2A | | 分子名称: | Alpha-synuclein | | 著者 | Guerrero-Ferreira, R, Taylor, N.M.I, Arteni, A.A, Melki, R, Meier, B.H, Bockmann, A, Bousset, L, Stahlberg, H. | | 登録日 | 2019-09-09 | | 公開日 | 2019-12-18 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (2.98 Å) | | 主引用文献 | Two new polymorphic structures of human full-length alpha-synuclein fibrils solved by cryo-electron microscopy.
Elife, 8, 2019
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1ZQD
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6SST
 | | cryo-em structure of alpha-synuclein fibril polymorph 2B | | 分子名称: | Alpha-synuclein | | 著者 | Guerrero-Ferreira, R, Taylor, N.M.I, Arteni, A.A, Melki, R, Meier, B.H, Bockmann, A, Bousset, L, Stahlberg, H. | | 登録日 | 2019-09-09 | | 公開日 | 2019-12-18 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Two new polymorphic structures of human full-length alpha-synuclein fibrils solved by cryo-electron microscopy.
Elife, 8, 2019
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1ZQI
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1A96
 | | XPRTASE FROM E. COLI WITH BOUND CPRPP AND XANTHINE | | 分子名称: | 1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-METHANOL-5-PHOSPHATE, BORIC ACID, MAGNESIUM ION, ... | | 著者 | Vos, S, Parry, R.J, Burns, M.R, De Jersey, J, Martin, J.L. | | 登録日 | 1998-04-16 | | 公開日 | 1998-11-11 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structures of free and complexed forms of Escherichia coli xanthine-guanine phosphoribosyltransferase.
J.Mol.Biol., 282, 1998
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6VJ3
 | | Carbonic Anhydrase II in complex with pyrimidine-based inhibitor | | 分子名称: | 2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Lomelino, C.L, McKenna, R. | | 登録日 | 2020-01-14 | | 公開日 | 2020-03-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Inclusion of a 5-fluorouracil moiety in nitrogenous bases derivatives as human carbonic anhydrase IX and XII inhibitors produced a targeted action against MDA-MB-231 and T47D breast cancer cells.
Eur.J.Med.Chem., 190, 2020
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1PWM
 | | Crystal structure of human Aldose Reductase complexed with NADP and Fidarestat | | 分子名称: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | El-Kabbani, O, Darmanin, C, Schneider, T.R, Hazemann, I, Ruiz, F, Oka, M, Joachimiak, A, Schulze-Briese, C, Tomizaki, T, Mitschler, A, Podjarny, A. | | 登録日 | 2003-07-02 | | 公開日 | 2004-02-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (0.92 Å) | | 主引用文献 | Ultrahigh resolution drug design. II. Atomic resolution structures of human aldose reductase holoenzyme complexed with Fidarestat and Minalrestat: implications for the binding of cyclic imide inhibitors
PROTEINS, 55, 2004
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8DTL
 | | Cryo-EM structure of insulin receptor (IR) bound with S597 peptide | | 分子名称: | Insulin mimetic peptide S597, Insulin receptor | | 著者 | Park, J, Li, J, Mayer, J.P, Ball, K.A, Wu, J.Y, Hall, C, Accili, D, Stowell, M.H.B, Bai, X.C, Choi, E. | | 登録日 | 2022-07-25 | | 公開日 | 2022-09-07 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (5.4 Å) | | 主引用文献 | Activation of the insulin receptor by an insulin mimetic peptide.
Nat Commun, 13, 2022
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8DTM
 | | Cryo-EM structure of insulin receptor (IR) bound with S597 component 2 | | 分子名称: | Insulin mimetic peptide S597 component 2, Insulin receptor | | 著者 | Park, J, Li, J, Mayer, J.P, Ball, K.A, Wu, J.Y, Hall, C, Accili, D, Stowell, M.H.B, Bai, X.C, Choi, E. | | 登録日 | 2022-07-26 | | 公開日 | 2022-09-07 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Activation of the insulin receptor by an insulin mimetic peptide.
Nat Commun, 13, 2022
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3ML2
 | | Human carbonic anhydsase II in complex with an aryl sulfonamide inhibitor | | 分子名称: | 2-(7-methoxy-2-oxo-2H-chromen-4-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. | | 登録日 | 2010-04-16 | | 公開日 | 2011-04-20 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Coumarinyl-substituted sulfonamides strongly inhibit several human carbonic anhydrase isoforms: solution and crystallographic investigations.
Bioorg.Med.Chem., 18, 2010
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3MHM
 | | Crystal structure of human carbonic anhydrase isozyme II with 4-{[N-(6-benzylamino-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide | | 分子名称: | 4-({[6-(benzylamino)-5-nitropyrimidin-4-yl]amino}methyl)benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Grazulis, S, Manakova, E, Golovenko, D. | | 登録日 | 2010-04-08 | | 公開日 | 2010-10-20 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | 4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
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4FHE
 | | Spore photoproduct lyase C140A mutant | | 分子名称: | 1,2-ETHANEDIOL, IRON/SULFUR CLUSTER, SULFATE ION, ... | | 著者 | Benjdia, A, Heil, K, Barends, T.R.M, Carell, T, Schlichting, I. | | 登録日 | 2012-06-06 | | 公開日 | 2012-07-18 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural insights into recognition and repair of UV-DNA damage by Spore Photoproduct Lyase, a radical SAM enzyme.
Nucleic Acids Res., 40, 2012
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3O80
 | | Crystal structure of monomeric KlHxk1 in crystal form IX (open state) | | 分子名称: | Hexokinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | 著者 | Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N. | | 登録日 | 2010-08-02 | | 公開日 | 2010-10-13 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION.
J.Biol.Chem., 285, 2010
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3O8M
 | | Crystal structure of monomeric KlHxk1 in crystal form XI with glucose bound (closed state) | | 分子名称: | CHLORIDE ION, Hexokinase, alpha-D-glucopyranose, ... | | 著者 | Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N. | | 登録日 | 2010-08-03 | | 公開日 | 2010-10-13 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION.
J.Biol.Chem., 285, 2010
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3O96
 | | Crystal Structure of Human AKT1 with an Allosteric Inhibitor | | 分子名称: | 1-(1-(4-(7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-yl)benzyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one, RAC-alpha serine/threonine-protein kinase | | 著者 | Voegtli, W.C, Wu, W.-I, Lord-Ondash, H.A, Dizon, F.P, Vigers, G.P.A, Brandhuber, B.J. | | 登録日 | 2010-08-03 | | 公開日 | 2010-10-13 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structure of human AKT1 with an allosteric inhibitor reveals a new mode of kinase inhibition.
Plos One, 5, 2010
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3V7X
 | | Complex of human carbonic anhydrase II with N-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide | | 分子名称: | Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ... | | 著者 | Mader, P, Brynda, J, Rezacova, P. | | 登録日 | 2011-12-22 | | 公開日 | 2012-04-04 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | Synthesis, Structure-Activity Relationship Studies, and X-ray Crystallographic Analysis of Arylsulfonamides as Potent Carbonic Anhydrase Inhibitors.
J.Med.Chem., 55, 2012
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