8CRJ
 
 | | Crystal structure of LplA1 in complex with lipoyl-AMP (Listeria monocytogenes) | | 分子名称: | 1,2-ETHANEDIOL, 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE, GLYCEROL, ... | | 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
|
|
6QL4
 | | Crystal structure of nucleotide-free Mgm1 | | 分子名称: | 1,2-ETHANEDIOL, Putative mitochondrial dynamin protein | | 著者 | Faelber, K, Dietrich, L, Noel, J.K, Wollweber, F, Pfitzner, A.-K, Muehleip, A, Sanchez, R, Kudryashev, M, Chiaruttin, N, Lilie, H, Schlegel, J, Rosenbaum, E, Hessenberger, M, Matthaeus, C, Noe, F, Roux, A, vanderLaan, M, Kuehlbrandt, W, Daumke, O. | | 登録日 | 2019-01-31 | | 公開日 | 2019-07-03 | | 最終更新日 | 2019-07-31 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1.
Nature, 571, 2019
|
|
5G5W
 | | Structure guided design and discovery of Indazole ethers as highly potent, non-steroidal Glucocorticoid receptor modulators | | 分子名称: | 1,2-ETHANEDIOL, 2,2,2-trifluoro-N-[(1R,2S)-1-{[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy}-1-phenylpropan-2-yl]acetamide, GLUCOCORTICOID RECEPTOR, ... | | 著者 | Hemmerling, M, Edman, K, Lepisto, M, Eriksson, A, Ivanova, S, Dahmen, J, Rehwinkel, H, Berger, M, Hendrickx, R, Dearman, M, Jellesmark-Jensen, T, Wissler, L, Hansson, T. | | 登録日 | 2016-06-08 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of Indazole Ethers as Novel, Potent, Non-Steroidal Glucocorticoid Receptor Modulators.
Bioorg.Med.Chem.Lett., 26, 2017
|
|
8A0C
 | | Capsular polysaccharide synthesis multienzyme in complex with CMP | | 分子名称: | Bcs3, CYTIDINE-5'-MONOPHOSPHATE, GLYCEROL, ... | | 著者 | Cifuente, J.O, Schulze, J, Bethe, A, Di Domenico, V, Litschko, C, Budde, I, Eidenberger, L, Thiesler, H, Ramon-Roth, I, Berger, M, Claus, H, DAngelo, C, Marina, A, Gerardy-Schahn, R, Schubert, M, Guerin, M.E, Fiebig, T. | | 登録日 | 2022-05-27 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | A multi-enzyme machine polymerizes the Haemophilus influenzae type b capsule.
Nat.Chem.Biol., 19, 2023
|
|
8A0M
 | | Capsular polysaccharide synthesis multienzyme in complex with capsular polymer fragment | | 分子名称: | Bcs3, MAGNESIUM ION, beta-D-ribosyl-(1->1)-D-ribitol-5-phosphate | | 著者 | Cifuente, J.O, Schulze, J, Bethe, A, Di Domenico, V, Litschko, C, Budde, I, Eidenberger, L, Thiesler, H, Ramon-Roth, I, Berger, M, Claus, H, DAngelo, C, Marina, A, Gerardy-Schahn, R, Schubert, M, Guerin, M.E, Fiebig, T. | | 登録日 | 2022-05-29 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | A multi-enzyme machine polymerizes the Haemophilus influenzae type b capsule.
Nat.Chem.Biol., 19, 2023
|
|
5BRW
 | | Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | | 分子名称: | ACETATE ION, Carbonic anhydrase 2, SULFATE ION, ... | | 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 | 2015-06-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design.
J.Am.Chem.Soc., 137, 2015
|
|
5BRU
 | | Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | | 分子名称: | Carbonic anhydrase 2, SULFATE ION, ZINC ION, ... | | 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
|
|
3EPX
 | | Crystal structure of Trypanosoma vivax nucleoside hydrolase in complex with the inhibitor (2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidin-3,4-diol | | 分子名称: | (2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3,4-diol, CALCIUM ION, GLYCEROL, ... | | 著者 | Versees, W, Goeminne, A, Berg, M, Vandemeulebroucke, A, Haemers, A, Augustyns, K, Steyaert, J. | | 登録日 | 2008-09-30 | | 公開日 | 2009-03-24 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal structures of T. vivax nucleoside hydrolase in complex with new potent and specific inhibitors.
Biochim.Biophys.Acta, 1794, 2009
|
|
3EPW
 | | Crystal structure of Trypanosoma vivax nucleoside hydrolase in complex with the inhibitor (2R,3R,4S)-1-[(4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)pyrrolidin-3,4-diol | | 分子名称: | 7-(((2R,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl)methyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one, CALCIUM ION, IAG-nucleoside hydrolase, ... | | 著者 | Versees, W, Goeminne, A, Berg, M, Vandemeulebroucke, A, Haemers, A, Augustyns, K, Steyaert, J. | | 登録日 | 2008-09-30 | | 公開日 | 2009-03-24 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Crystal structures of T. vivax nucleoside hydrolase in complex with new potent and specific inhibitors.
Biochim.Biophys.Acta, 1794, 2009
|
|
8QOY
 | | Capsular polysaccharide synthesis multienzyme of Actinobacillus Pleuropneumoniae serotype 3 | | 分子名称: | SULFATE ION, TagF-like capsule polymerase Cps3D, ZINC ION | | 著者 | Di Domenico, V, Litschko, C, Schulze, J, Bethe, A, Cifuente, J.O, Marina, A, Budde, I, Mast, T.A, Sulewska, M, Berger, M, Buettner, F, Gerardy-Schahn, R, Fiebig, T, Guerin, M.E. | | 登録日 | 2023-09-29 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Transition transferases prime bacterial capsule polymerization.
Nat.Chem.Biol., 2024
|
|
7NTN
 | | The structure of RRM domain of human TRMT2A at 2 A resolution | | 分子名称: | CHLORIDE ION, SODIUM ION, SULFATE ION, ... | | 著者 | Davydova, E, Janowski, R, Witzenberger, M, Niessing, D. | | 登録日 | 2021-03-10 | | 公開日 | 2022-01-19 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.016 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
|
|
4I5M
 | | Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain | | 分子名称: | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK2 | | 著者 | Aubele, D.L, Hom, R.K, Adler, M, Galemmo Jr, R.A, Bowers, S, Truong, A.P, Pan, H, Beroza, P, Neitz, R.J, Yao, N, Lin, M, Tonn, G, Zhang, H, Bova, M.P, Ren, Z, Tam, D, Ruslim, L, Baker, J, Diep, L, Fitzgerald, K, Hoffman, J, Motter, R, Fauss, D, Tanaka, P, Dappen, M, Jagodzinski, J, Chan, W, Konradi, A.W, Latimer, L, Zhu, Y.L, Artis, D.R, Sham, H.L, Anderson, J.P, Bergeron, M. | | 登録日 | 2012-11-28 | | 公開日 | 2013-12-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | | 主引用文献 | Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
|
|
8B7S
 | | Crystal structure of the Chloramphenicol-inactivating oxidoreductase from Novosphingobium sp | | 分子名称: | Chloramphenicol-inactivating oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE | | 著者 | Zhang, L, Toplak, M, Saleem-Batcha, R, Hoeing, L, Jakob, R.P, Jehmlich, N, von Bergen, M, Maier, T, Teufel, R. | | 登録日 | 2022-10-03 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Bacterial Dehydrogenases Facilitate Oxidative Inactivation and Bioremediation of Chloramphenicol.
Chembiochem, 24, 2023
|
|
4EWI
 | | Crystal structure of the NLRP4 Pyrin domain | | 分子名称: | CHLORIDE ION, NACHT, LRR and PYD domains-containing protein 4, ... | | 著者 | Eibl, C, Hessenberger, M, Puehringer, S, Page, R, Diederichs, K, Peti, W. | | 登録日 | 2012-04-27 | | 公開日 | 2012-09-05 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Structural and Functional Analysis of the NLRP4 Pyrin Domain.
Biochemistry, 51, 2012
|
|
2JUY
 | | NMR ensemble of Neopetrosiamide A | | 分子名称: | Neopetrosiamide A | | 著者 | Austin, P, Williams, D.E, Heller, M, McIntosh, L.P, Andersen, R.J, Roberge, M, Roskelley, C.D. | | 登録日 | 2007-09-05 | | 公開日 | 2008-08-26 | | 最終更新日 | 2022-03-16 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR ensemble of Neopetrosiamide A
To be Published
|
|
4H1V
 | | GMP-PNP bound dynamin-1-like protein GTPase-GED fusion | | 分子名称: | Dynamin-1-like protein, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | 著者 | Wenger, J, Klinglmayr, E, Eibl, C, Hessenberger, M, Goettig, P. | | 登録日 | 2012-09-11 | | 公開日 | 2013-08-21 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Functional Mapping of Human Dynamin-1-Like GTPase Domain Based on X-ray Structure Analyses.
Plos One, 8, 2013
|
|
4N1L
 | | Crystal structures of NLRP14 pyrin domain reveal a conformational switch mechanism, regulating its molecular interactions | | 分子名称: | 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 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.986 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
|
|
4N1K
 | | Crystal structures of NLRP14 pyrin domain reveal a conformational switch mechanism, regulating its molecular interactions | | 分子名称: | 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 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3 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
|
|
2CH5
 | | Crystal structure of human N-acetylglucosamine kinase in complex with N-acetylglucosamine | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | 著者 | Weihofen, W.A, Berger, M, Chen, H, Saenger, W, Hinderlich, S. | | 登録日 | 2006-03-13 | | 公開日 | 2006-09-18 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structures of Human N-Acetylglucosamine Kinase in Two Complexes with N-Acetylglucosamine and with Adp/Glucose: Insights Into Substrate Specificity and Regulation.
J.Mol.Biol., 364, 2006
|
|
2CH6
 | | Crystal structure of human N-acetylglucosamine kinase in complex with ADP and glucose | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, N-ACETYL-D-GLUCOSAMINE KINASE, alpha-D-glucopyranose | | 著者 | Weihofen, W.A, Berger, M, Chen, H, Saenger, W, Hinderlich, S. | | 登録日 | 2006-03-13 | | 公開日 | 2006-09-18 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | | 主引用文献 | Structures of Human N-Acetylglucosamine Kinase in Two Complexes with N-Acetylglucosamine and with Adp/Glucose: Insights Into Substrate Specificity and Regulation.
J.Mol.Biol., 364, 2006
|
|
2NBT
 | | NEURONAL BUNGAROTOXIN, NMR, 10 STRUCTURES | | 分子名称: | NEURONAL BUNGAROTOXIN | | 著者 | Oswald, R.E, Sutcliffe, M.J, Bamberger, M, Loring, R.H, Braswell, E, Dobson, C.M. | | 登録日 | 1997-10-29 | | 公開日 | 1998-03-11 | | 最終更新日 | 2022-03-16 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of neuronal bungarotoxin determined by two-dimensional NMR spectroscopy: calculation of tertiary structure using systematic homologous model building, dynamical simulated annealing, and restrained molecular dynamics.
Biochemistry, 31, 1992
|
|
3PK2
 | | Artificial Transfer Hydrogenases for the Enantioselective Reduction of Cyclic Imines | | 分子名称: | IRIDIUM (III) ION, Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III) | | 著者 | Schirmer, T, Heinisch, T. | | 登録日 | 2010-11-11 | | 公開日 | 2011-04-13 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Artificial transfer hydrogenases for the enantioselective reduction of cyclic imines.
Angew.Chem.Int.Ed.Engl., 50, 2011
|
|
6F9A
 | | Solution structure of the MRH domain of Yos9 complexed with alpha3,alpha6-Man5 | | 分子名称: | ER quality-control lectin | | 著者 | Kniss, A, Kazemi, S, Lohr, F, Guntert, P, Dotsch, V. | | 登録日 | 2017-12-14 | | 公開日 | 2019-01-30 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the MRH domain of Yos9 complexed with alpha3,alpha6-Man5
To Be Published
|
|
6F99
 | |
5LKQ
 | | Protease domain of RadA | | 分子名称: | DNA repair protein RadA | | 著者 | Rapisarda, C, Fronzes, R. | | 登録日 | 2016-07-22 | | 公開日 | 2017-06-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.498 Å) | | 主引用文献 | Bacterial RadA is a DnaB-type helicase interacting with RecA to promote bidirectional D-loop extension.
Nat Commun, 8, 2017
|
|
