8AGQ
 
 | | Crystal structure of anthocyanin-related GSTF8 from Populus trichocarpa in complex with (-)-catechin and glutathione | | 分子名称: | (2~{S},3~{R})-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2~{H}-chromene-3,5,7-triol, GLUTATHIONE, Glutathione transferase, ... | | 著者 | Eichenberger, M, Hueppi, S, Schwander, T, Mittl, P, Buller, M.R. | | 登録日 | 2022-07-20 | | 公開日 | 2023-08-30 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.093 Å) | | 主引用文献 | The catalytic role of glutathione transferases in heterologous anthocyanin biosynthesis.
Nat Catal, 6, 2023
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5G3J
 | | Discovery of New Selective Glucocorticoid Receptor Agonist Leads | | 分子名称: | 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5-[[(1S,2R,4R)-4-ethyl-6,7-bis(fluoranyl)-2,5-bis(oxidanyl)-2-(trifluoromethyl)-3,4-dihydro-1H-naphthalen-1-yl]amino]-1H-quinolin-2-one, ... | | 著者 | Berger, M, Edman, K, Wissler, L, Neuhaus, R, Rehwinkel, H, Schacke, H, Jaroch, S. | | 登録日 | 2016-04-27 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery of New Selective Glucocorticoid Receptor Agonist Leads.
Bioorg.Med.Chem.Lett., 27, 2017
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7Z4M
 | | Plasmodium falciparum pyruvate kinase complexed with Mg2+ and K+ | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Dillenberger, M, Rahlfs, S, Becker, K, Fritz-Wolf, K. | | 登録日 | 2022-03-04 | | 公開日 | 2022-08-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Prominent role of cysteine residues C49 and C343 in regulating Plasmodium falciparum pyruvate kinase activity.
Structure, 30, 2022
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7Z4R
 | | Plasmodium falciparum pyruvate kinase mutant - C343A | | 分子名称: | MAGNESIUM ION, POTASSIUM ION, Pyruvate kinase | | 著者 | Dillenberger, M, Rahlfs, S, Becker, K, Fritz-Wolf, K. | | 登録日 | 2022-03-04 | | 公開日 | 2022-08-24 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Prominent role of cysteine residues C49 and C343 in regulating Plasmodium falciparum pyruvate kinase activity.
Structure, 30, 2022
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7Z4N
 | | Plasmodium falciparum pyruvate kinase complexed with pyruvate | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Dillenberger, M, Rahlfs, S, Becker, K, Fritz-Wolf, K. | | 登録日 | 2022-03-04 | | 公開日 | 2022-08-24 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Prominent role of cysteine residues C49 and C343 in regulating Plasmodium falciparum pyruvate kinase activity.
Structure, 30, 2022
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7Z4Q
 | | Plasmodium falciparum pyruvate kinase mutant - C49A | | 分子名称: | MAGNESIUM ION, Pyruvate kinase | | 著者 | Dillenberger, M, Rahlfs, S, Becker, K, Fritz-Wolf, K. | | 登録日 | 2022-03-04 | | 公開日 | 2022-08-24 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Prominent role of cysteine residues C49 and C343 in regulating Plasmodium falciparum pyruvate kinase activity.
Structure, 30, 2022
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7PV5
 | | RBD domain of D. melanogaster tRNA (uracil-5-)-methyltransferase homolog A (TRMT2A) | | 分子名称: | CHLORIDE ION, FI05218p, SODIUM ION, ... | | 著者 | Witzenberger, M, Janowski, R, Niessing, D. | | 登録日 | 2021-10-01 | | 公開日 | 2023-04-19 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal structure of the RNA-recognition motif of Drosophila melanogaster tRNA (uracil-5-)-methyltransferase homolog A
Acta Crystallogr.,Sect.F, 80, 2024
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2NB9
 | | Solution structure of ZitP zinc finger | | 分子名称: | Uncharacterized protein, ZINC ION | | 著者 | Campagne, S, Berge, M, Viollier, P.H, Allain, F.H.-T. | | 登録日 | 2016-02-01 | | 公開日 | 2016-12-14 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Modularity and determinants of a (bi-)polarization control system from free-living and obligate intracellular bacteria.
Elife, 5, 2016
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7NTO
 | | The structure of RRM domain of human TRMT2A at 1.23 A resolution | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ... | | 著者 | Witzenberger, M, Janowski, R, Davydova, E, Niessing, D. | | 登録日 | 2021-03-10 | | 公開日 | 2022-01-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death.
Comput Struct Biotechnol J, 20, 2022
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8CUG
 | | Synthetic epi-Novo29 (2R,3S), synchrotron structure | | 分子名称: | ACETATE ION, Synthetic epi-Novo29 (2R,3S) | | 著者 | Kreutzer, A.G, Li, X, Krumberger, M, Nowick, J.S. | | 登録日 | 2022-05-17 | | 公開日 | 2023-01-11 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.131 Å) | | 主引用文献 | Synthesis and Stereochemical Determination of the Peptide Antibiotic Novo29.
J.Org.Chem., 88, 2023
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8CUF
 | | Synthetic epi-Novo29 (2R,3S), X-ray diffractometer structure | | 分子名称: | ACETATE ION, IODIDE ION, Synthetic epi-Novo29 (2R,3S) | | 著者 | Kreutzer, A.G, Li, X, Krumberger, M, Nowick, J.S. | | 登録日 | 2022-05-17 | | 公開日 | 2023-01-11 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Synthesis and Stereochemical Determination of the Peptide Antibiotic Novo29.
J.Org.Chem., 88, 2023
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6C83
 | | Structure of Aurora A (122-403) bound to inhibitory Monobody Mb2 and AMPPCP | | 分子名称: | Aurora kinase A, Mb2 Monobody, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | 著者 | Hoemberger, M, Kutter, S, Zorba, A, Nguyen, V, Shohei, A, Shohei, K, Kern, D. | | 登録日 | 2018-01-24 | | 公開日 | 2019-02-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Allosteric modulation of a human protein kinase with monobodies.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7ZZI
 | | Plasmodium falciparum hexokinase complexed with glucose and citrate | | 分子名称: | 1,2-ETHANEDIOL, CITRIC ACID, Phosphotransferase, ... | | 著者 | Fritz-Wolf, K, Dillenberger, M, Rahlfs, S, Becker, K. | | 登録日 | 2022-05-25 | | 公開日 | 2023-08-30 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural Analysis of Plasmodium falciparum Hexokinase Provides Novel Information about Catalysis Due to a Plasmodium -Specific Insertion.
Int J Mol Sci, 24, 2023
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5BRV
 | | Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | | 分子名称: | Carbonic anhydrase 2, ZINC ION, pentamethylcyclopentadienyl iridium [N-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride | | 著者 | Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. | | 登録日 | 2015-06-01 | | 公開日 | 2015-06-24 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design.
J.Am.Chem.Soc., 137, 2015
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5IJC
 | | The crystal structure of mouse TLR4/MD-2/neoseptin-3 complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte antigen 96, ... | | 著者 | Wang, Y, Su, L, Morin, M.D, Jones, B.T, Whitby, L.R, Surakattula, M, Huang, H, Shi, H, Choi, J.H, Wang, K, Moresco, E.M, Berger, M, Zhan, X, Zhang, H, Boger, D.L, Beutler, B. | | 登録日 | 2016-03-01 | | 公開日 | 2016-04-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5IJB
 | | The ligand-free structure of the mouse TLR4/MD-2 complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte antigen 96, ... | | 著者 | Wang, Y, Su, L, Morin, M.D, Jones, B.T, Whitby, L.R, Surakattula, M, Huang, H, Shi, H, Choi, J.H, Wang, K, Moresco, E.M, Berger, M, Zhan, X, Zhang, H, Boger, D.L, Beutler, B. | | 登録日 | 2016-03-01 | | 公開日 | 2016-04-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | | 主引用文献 | TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5IJD
 | | The crystal structure of mouse TLR4/MD-2/lipid A complex | | 分子名称: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Wang, Y, Su, L, Morin, M.D, Jones, B.T, Whitby, L.R, Surakattula, M, Huang, H, Shi, H, Choi, J.H, Wang, K, Moresco, E.M, Berger, M, Zhan, X, Zhang, H, Boger, D.L, Beutler, B. | | 登録日 | 2016-03-01 | | 公開日 | 2016-04-27 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS.
Proc.Natl.Acad.Sci.USA, 113, 2016
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4N1J
 | | Crystal structures of NLRP14 pyrin domain reveal a conformational switch mechanism, regulating its molecular interactions | | 分子名称: | GLYCEROL, NACHT, LRR and PYD domains-containing protein 14 | | 著者 | Eibl, C, Hessenberger, M, Wenger, J, Brandstetter, H. | | 登録日 | 2013-10-04 | | 公開日 | 2014-07-16 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structures of the NLRP14 pyrin domain reveal a conformational switch mechanism regulating its molecular interactions.
Acta Crystallogr.,Sect.D, 70, 2014
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1DMJ
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 5,6-CYCLIC-TETRAHYDROPTERIDINE | | 分子名称: | 7-AMINO-3,3A,4,5-TETRAHYDRO-8H-2-OXA-5,6,8,9B-TETRAAZA-CYCLOPENTA[A]NAPHTHALENE-1,9-DIONE, ACETATE ION, CACODYLATE ION, ... | | 著者 | Kotsonis, P, Frohlich, L.G, Raman, C.S, Li, H, Berg, M, Gerwig, R, Groehn, V, Kang, Y, Al-Masoudi, N, Taghavi-Moghadam, S, Mohr, D, Munch, U, Schnabel, J, Martasek, P, Masters, B.S, Strobel, H, Poulos, T, Matter, H, Pfleiderer, W, Schmidt, H.H. | | 登録日 | 1999-12-14 | | 公開日 | 2000-12-20 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structural basis for pterin antagonism in nitric-oxide synthase. Development of novel 4-oxo-pteridine antagonists of (6R)-5,6,7,8-tetrahydrobiopterin
J.Biol.Chem., 276, 2001
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1DMK
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 4-AMINO-6-PHENYL-TETRAHYDROPTERIDINE | | 分子名称: | 2,4-DIAMINO-6-PHENYL-5,6,7,8,-TETRAHYDROPTERIDINE, ACETATE ION, CACODYLATE ION, ... | | 著者 | Kotsonis, P, Frohlich, L.G, Raman, C.S, Li, H, Berg, M, Gerwig, R, Groehn, V, Kang, Y, Al-Masoudi, N, Taghavi-Moghadam, S, Mohr, D, Munch, U, Schnabel, J, Martasek, P, Masters, B.S, Strobel, H, Poulos, T, Matter, H, Pfleiderer, W, Schmidt, H.H. | | 登録日 | 1999-12-14 | | 公開日 | 2000-12-20 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural basis for pterin antagonism in nitric-oxide synthase. Development of novel 4-oxo-pteridine antagonists of (6R)-5,6,7,8-tetrahydrobiopterin
J.Biol.Chem., 276, 2001
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2Y9M
 | | Pex4p-Pex22p structure | | 分子名称: | 1,2-ETHANEDIOL, PEROXISOME ASSEMBLY PROTEIN 22, UBIQUITIN-CONJUGATING ENZYME E2-21 KDA | | 著者 | Williams, C, van den Berg, M, Panjikar, S, Distel, B, Wilmanns, M. | | 登録日 | 2011-02-15 | | 公開日 | 2011-10-26 | | 最終更新日 | 2017-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Insights Into Ubiquitin-Conjugating Enzyme/ Co-Activator Interactions from the Structure of the Pex4P:Pex22P Complex.
Embo J., 31, 2011
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2Y9P
 | | Pex4p-Pex22p mutant II structure | | 分子名称: | PEROXISOME ASSEMBLY PROTEIN 22, UBIQUITIN-CONJUGATING ENZYME E2-21 KDA | | 著者 | Williams, C, van den Berg, M, Panjikar, S, Distel, B, Wilmanns, M. | | 登録日 | 2011-02-16 | | 公開日 | 2012-02-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | Pex4P-Pex22P Structure
To be Published
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4BWF
 | | Pex4p-Pex22p disulphide bond mutant | | 分子名称: | 1,2-ETHANEDIOL, PEROXISOME ASSEMBLY PROTEIN 22, UBIQUITIN-CONJUGATING ENZYME E2-21 KDA | | 著者 | Williams, C, van den Berg, M, Stanley, W.A, Wilmanns, M, Distel, B. | | 登録日 | 2013-07-01 | | 公開日 | 2013-07-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.23 Å) | | 主引用文献 | A Disulphide Bond in the E2 Enzyme Pex4P Modulates Ubiquitin-Conjugating Activity
Sci.Rep., 3, 2013
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8CRL
 | | Crystal structure of LplA1 in complex with the inhibitor C3 (Listeria monocytogenes) | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, SODIUM ION, ... | | 著者 | Dienemann, J.-N, Chen, S.-Y, Hitzenberger, M, Sievert, M.L, Hacker, S.M, Prigge, S.T, Zacharias, M, Groll, M, Sieber, S.A. | | 登録日 | 2023-03-08 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8CRI
 | | Crystal structure of LplA1 in complex with lipoic acid (Listeria monocytogenes) | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, LIPOIC ACID, ... | | 著者 | Dienemann, J.-N, Chen, S.-Y, Hitzenberger, M, Sievert, M.L, Hacker, S.M, Prigge, S.T, Zacharias, M, Groll, M, Sieber, S.A. | | 登録日 | 2023-03-08 | | 公開日 | 2023-06-07 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites.
Angew.Chem.Int.Ed.Engl., 62, 2023
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