2JCL
 
 | | Crystal structure of alpha-1,3 Galactosyltransferase (R365K) in the absence of ligands | | 分子名称: | N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, SULFATE ION | | 著者 | Jamaluddin, H, Tumbale, P, Withers, S.G, Acharya, K.R, Brew, K. | | 登録日 | 2006-12-26 | | 公開日 | 2007-05-22 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (3.29 Å) | | 主引用文献 | Conformational Changes Induced by Binding Udp-2F-Galactose to Alpha-1,3 Galactosyltransferase-Implications for Catalysis.
J.Mol.Biol., 369, 2007
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2ZE2
 | | Crystal structure of L100I/K103N mutant HIV-1 reverse transcriptase (RT) in complex with TMC278 (rilpivirine), a non-nucleoside RT inhibitor | | 分子名称: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | | 著者 | Das, K, Bauman, J.D, Clark Jr, A.D, Shatkin, A.J, Arnold, E. | | 登録日 | 2007-12-05 | | 公開日 | 2008-02-12 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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4JZZ
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3IXK
 | | Potent beta-secretase 1 inhibitor | | 分子名称: | Beta-secretase 1, N-[(2S,3S,5R)-1-[(3,5-difluorophenyl)methoxy]-3-hydroxy-5-methyl-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | | 著者 | Borkakoti, N, Lindberg, J.D, Nystrom, S. | | 登録日 | 2009-09-04 | | 公開日 | 2010-09-08 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Synthesis of potent BACE-1 inhibitors incorporating a hydroxyethylene isostere as central core.
Eur.J.Med.Chem., 45, 2010
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1QMC
 | | C-terminal DNA-binding domain of HIV-1 integrase, NMR, 42 structures | | 分子名称: | HIV-1 INTEGRASE | | 著者 | Eijkelenboom, A.P.A.M, Sprangers, R, Hard, K, Puras Lutzke, R.A, Plasterk, R.H.A, Boelens, R, Kaptein, R. | | 登録日 | 1999-09-27 | | 公開日 | 1999-12-14 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Refined Solution Structure of the C-Terminal DNA-Binding Domain of Human Immunovirus-1 Integrase.
Proteins: Struct.,Funct., Genet., 36, 1999
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4HW3
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2GTW
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4I0Z
 | | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates | | 分子名称: | 2-{(1S)-1-[(6-CHLORO-3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)AMINO]-2-PHENYLETHYL}-4-OXO-1,4-DIHYDROPYRIMIDINE-5-CARBONITRILE, 2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-4-oxo-1,4-dihydropyrimidine-5-carbonitrile, ZINC ION | | 著者 | Lougheed, J.C, Brecht, E, Yao, N.H. | | 登録日 | 2012-11-19 | | 公開日 | 2013-03-06 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
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1DZY
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4K80
 | | Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 2:0 ceramide-1-phosphate (2:0-C1P) | | 分子名称: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1 | | 著者 | Simanshu, D.K, Brown, R.E, Patel, D.J. | | 登録日 | 2013-04-17 | | 公開日 | 2013-07-17 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.051 Å) | | 主引用文献 | Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
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4KA2
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2OU3
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4IIS
 | | Crystal structure of a glycosylated beta-1,3-glucanase (HEV B 2), An allergen from Hevea Brasiliensis (Space group P41) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-1,3-glucanase form 'RRII Gln 2', CACODYLATE ION, ... | | 著者 | Rodriguez-Romero, A, Hernandez-Santoyo, A. | | 登録日 | 2012-12-20 | | 公開日 | 2013-11-27 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.6676 Å) | | 主引用文献 | Structural analysis of the endogenous glycoallergen Hev b 2 (endo-beta-1,3-glucanase) from Hevea brasiliensis and its recognition by human basophils.
Acta Crystallogr.,Sect.D, 70, 2014
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4ID1
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1EI9
 | | CRYSTAL STRUCTURE OF PALMITOYL PROTEIN THIOESTERASE 1 | | 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, PALMITOYL PROTEIN THIOESTERASE 1 | | 著者 | Bellizzi III, J.J, Widom, J, Kemp, C, Lu, J.Y, Das, A.K, Hofmann, S.L, Clardy, J. | | 登録日 | 2000-02-24 | | 公開日 | 2000-04-26 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | The crystal structure of palmitoyl protein thioesterase 1 and the molecular basis of infantile neuronal ceroid lipofuscinosis.
Proc.Natl.Acad.Sci.USA, 97, 2000
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3RJL
 | | Crystal structure of 1-pyrroline-5-carboxylate dehydrogenase from Bacillus licheniformis (Target NYSGRC-000337) | | 分子名称: | 1-pyrroline-5-carboxylate dehydrogenase, ACETATE ION, CADMIUM ION | | 著者 | Patskovsky, Y, Toro, R, Foti, R, Seidel, R.D, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2011-04-15 | | 公開日 | 2011-04-27 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal Structure of 1-Pyrroline-5-Carboxylate Dehydrogenase from Bacillus Licheniformis
To be Published
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2JIH
 | | Crystal Structure of Human ADAMTS-1 catalytic Domain and Cysteine- Rich Domain (complex-form) | | 分子名称: | (2S,3R)-N~4~-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide, ADAMTS-1, CADMIUM ION, ... | | 著者 | Gerhardt, S, Hassall, G, Hawtin, P, McCall, E, Flavell, L, Minshull, C, Hargreaves, D, Ting, A, Pauptit, R.A, Parker, A.E, Abbott, W.M. | | 登録日 | 2007-06-28 | | 公開日 | 2008-01-15 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structures of human ADAMTS-1 reveal a conserved catalytic domain and a disintegrin-like domain with a fold homologous to cysteine-rich domains.
J. Mol. Biol., 373, 2007
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2P54
 | | a crystal structure of PPAR alpha bound with SRC1 peptide and GW735 | | 分子名称: | 2-METHYL-2-(4-{[({4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL}CARBONYL)AMINO]METHYL}PHENOXY)PROPANOIC ACID, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha | | 著者 | Xu, R.X, Xu, H.E, Sierra, M.L, Montana, V.G, Lambert, M.H, Pianetti, P.M. | | 登録日 | 2007-03-14 | | 公開日 | 2007-04-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Substituted 2-[(4-Aminomethyl)phenoxy]-2-methylpropionic Acid PPAR Agonists. 1.Discovery of a Novel Series of Potent HDLc Raising Agents.
J.Med.Chem., 50, 2007
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4K84
 | | Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 16:0 ceramide-1-phosphate (16:0-C1P) | | 分子名称: | (2S,3R,4E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1 | | 著者 | Simanshu, D.K, Brown, R.E, Patel, D.J. | | 登録日 | 2013-04-17 | | 公開日 | 2013-07-17 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.897 Å) | | 主引用文献 | Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
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1EXW
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3ROJ
 | | D-fructose 1,6-bisphosphatase class 2/sedoheptulose 1,7-bisphosphatase of Synechocystis sp. PCC 6803 | | 分子名称: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, D-fructose 1,6-bisphosphatase class 2/sedoheptulose 1,7-bisphosphatase, ... | | 著者 | Hu, X, Hui, D, Lingling, F, Jian, W. | | 登録日 | 2011-04-26 | | 公開日 | 2012-05-02 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | New insights into the structural and interactional basis for a promising route towards fructose-1,6-/sedoheptulose-1,7-bisphosphatases controlling
To be Published
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2L18
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4K0A
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1VG9
 | | The crystal structures of the REP-1 protein in complex with C-terminally truncated Rab7 protein | | 分子名称: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Rak, A, Pylypenko, O, Niculae, A, Pyatkov, K, Goody, R.S, Alexandrov, K. | | 登録日 | 2004-04-23 | | 公開日 | 2004-07-20 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure of the Rab7:REP-1 complex: insights into the mechanism of Rab prenylation and choroideremia disease
Cell(Cambridge,Mass.), 117, 2004
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3R2F
 | | Crystal structure of beta-site app-cleaving enzyme 1 (BACE-WT) complex with BMS-693391 AKA (2S)-2-((3R)-3-acetamido-3-isobutyl-2-oxo-1-pyrrolidinyl)-N-((1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-2-((2R,4R)-4-propoxy-2-pyrrolidinyl)ethyl)-4-phenylbutanamide | | 分子名称: | (2S)-2-[(3R)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-{(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-propoxypyrrolidin-2-yl]propan-2-yl}-4-phenylbutanamide, Beta-secretase 1 | | 著者 | Muckelbauer, J.K. | | 登録日 | 2011-03-14 | | 公開日 | 2011-08-31 | | 最終更新日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Monosubstituted {gamma}-lactam and conformationally constrained 1,3-diaminopropan-2-ol transition-state isostere inhibitors of {beta}-secretase (BACE).
Bioorg.Med.Chem.Lett., 21, 2011
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