3KXO
 
 | | An orally active inhibitor bound at the active site of HPGDS | | 分子名称: | 6-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide, GLUTATHIONE, Glutathione-requiring prostaglandin D synthase, ... | | 著者 | Kiefer, J.R, Day, J.E, Thorarensen, A. | | 登録日 | 2009-12-03 | | 公開日 | 2010-09-01 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery of an oral potent selective inhibitor of hematopoietic prostaglandin D synthase
TO BE PUBLISHED
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3TUD
 | | Crystal structure of SYK kinase domain with N-(4-methyl-3-(8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)phenyl)-3-(trifluoromethyl)benzamide | | 分子名称: | N-{4-methyl-3-[8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]phenyl}-3-(trifluoromethyl)benzamide, Tyrosine-protein kinase SYK | | 著者 | Lovering, F, McDonald, J, Whitlock, G, Glossop, P, Phillips, C, Sabnis, Y, Ryan, M, Fitz, L, Lee, J, Chang, J.S, Han, S, Kurumbail, R, Thorarenson, A. | | 登録日 | 2011-09-16 | | 公開日 | 2012-08-29 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Identification of Type-II Inhibitors Using Kinase Structures.
Chem.Biol.Drug Des., 80, 2012
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4EE0
 | | Crystal structure of hH-PGDS with water displacing inhibitor | | 分子名称: | 4-(isoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide, Hematopoietic prostaglandin D synthase, L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE, ... | | 著者 | Day, J.E, Thorarensen, A, Trujillo, J.I. | | 登録日 | 2012-03-28 | | 公開日 | 2012-07-18 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters.
Bioorg.Med.Chem.Lett., 22, 2012
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4EC0
 | | Crystal structure of hH-PGDS with water displacing inhibitor | | 分子名称: | 4-[2-(aminomethyl)naphthalen-1-yl]-N-[2-(morpholin-4-yl)ethyl]benzamide, GLUTATHIONE, Hematopoietic prostaglandin D synthase, ... | | 著者 | Day, J.E, Thorarensen, A, Trujillo, J.I. | | 登録日 | 2012-03-26 | | 公開日 | 2012-05-16 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters.
Bioorg.Med.Chem.Lett., 22, 2012
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4EDZ
 | | Crystal structure of hH-PGDS with water displacing inhibitor | | 分子名称: | 4-(3-methylisoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide, GLUTATHIONE, Hematopoietic prostaglandin D synthase, ... | | 著者 | Day, J.E, Thorarensen, A, Trujillo, J.I. | | 登録日 | 2012-03-27 | | 公開日 | 2012-05-16 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters.
Bioorg.Med.Chem.Lett., 22, 2012
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5BY3
 | | A novel family GH115 4-O-Methyl-alpha-glucuronidase, BtGH115A, with specificity for decorated arabinogalactans | | 分子名称: | BtGH115A, NICKEL (II) ION, SULFATE ION | | 著者 | Lammerts van Bueren, A, Davies, G.J, Turkenburg, J.P. | | 登録日 | 2015-06-10 | | 公開日 | 2015-07-22 | | 最終更新日 | 2015-12-09 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Structural and Functional Characterization of a Novel Family GH115 4-O-Methyl-alpha-Glucuronidase with Specificity for Decorated Arabinogalactans.
J.Mol.Biol., 427, 2015
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4EDY
 | | Crystal structure of hH-PGDS with water displacing inhibitor | | 分子名称: | 4-[2-(hydroxymethyl)naphthalen-1-yl]-N-[2-(morpholin-4-yl)ethyl]benzamide, DIMETHYL SULFOXIDE, GLUTATHIONE, ... | | 著者 | Day, J.E, Thorarensen, A, Trujillo, J.I, Kiefer, J.R. | | 登録日 | 2012-03-27 | | 公開日 | 2012-10-03 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters.
Bioorg.Med.Chem.Lett., 22, 2012
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5FTG
 | | Human choline kinase a1 in complex with compound 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1- yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N- dimethyl-pyridin-4-amine (compound 10a) | | 分子名称: | 1,2-ETHANEDIOL, 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N-dimethyl-pyridin-4-amine, CHOLINE KINASE ALPHA | | 著者 | Schiaffino-Ortega, S, Baglioni, E, Mariotto, E, Bortolozzi, R, Serran-Aguilera, L, Rios-Marco, P, Carrasco-Jimenez, M.P, Gallo, M.A, Hurtado-Guerrero, R, Marco, C, Basso, G, Viola, G, Entrena, A, Lopez-Cara, L.C. | | 登録日 | 2016-01-13 | | 公開日 | 2016-03-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Design, Synthesis, Crystallization and Biological Evaluation of New Symmetrical Biscationic Compounds as Selective Inhibitors of Human Choline Kinase Alpha1 (Chokalpha1)
Sci.Rep., 6, 2016
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5AJL
 | | Sdsa sulfatase tetragonal | | 分子名称: | ALKYL SULFATASE, ZINC ION | | 著者 | De la Mora, E, Flores-Hernandez, E, Jakoncic, J, Stojanoff, V, Sanchez-Puig, N, Moreno, A. | | 登録日 | 2015-02-25 | | 公開日 | 2015-10-07 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.45 Å) | | 主引用文献 | Sdsa Polymorph Isolation and Improvement of Their Crystal Quality Using Nonconventional Crystallization Techniques
J.Appl.Crystallogr., 48, 2015
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5A8Z
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(4R)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile, Neutrophil elastase, ... | | 著者 | von Nussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. | | 登録日 | 2015-07-17 | | 公開日 | 2016-08-03 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: in vivo Efficacy of the Polar Pyrimidopyridazine BAY-8040 in a Pulmonary Arterial Hypertension Rat Model.
ChemMedChem, 11, 2016
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3IBX
 | | Crystal structure of F47Y variant of TenA (HP1287) from Helicobacter pylori | | 分子名称: | Putative thiaminase II | | 著者 | Barison, N, Cendron, L, Trento, A, Angelini, A, Zanotti, G. | | 登録日 | 2009-07-17 | | 公開日 | 2009-11-17 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural and mutational analysis of TenA protein (HP1287) from the Helicobacter pylori thiamin salvage pathway - evidence of a different substrate specificity.
Febs J., 276, 2009
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4D4G
 | | Understanding bi-specificity of A-domains | | 分子名称: | APNAA1, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Kaljunen, H, Schiefelbein, S.H.H, Stummer, D, Kozak, S, Meijers, R, Christiansen, G, Rentmeister, A. | | 登録日 | 2014-10-29 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structural Elucidation of the Bispecificity of a Domains as a Basis for Activating Non-Natural Amino Acids.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4D57
 | | Understanding bi-specificity of A-domains | | 分子名称: | ADENOSINE MONOPHOSPHATE, APNA A1, ARGININE, ... | | 著者 | Kaljunen, H, Schiefelbein, S.H.H, Stummer, D, Kozak, S, Meijers, R, Christiansen, G, Rentmeister, A. | | 登録日 | 2014-11-03 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Elucidation of the Bispecificity of a Domains as a Basis for Activating Non-Natural Amino Acids.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4D4H
 | | Understanding bi-specificity of A-domains | | 分子名称: | APNAA1, GLYCEROL | | 著者 | Kaljunen, H, Schiefelbein, S.H.H, Stummer, D, Kozak, S, Meijers, R, Christiansen, G, Rentmeister, A. | | 登録日 | 2014-10-29 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.019 Å) | | 主引用文献 | Structural Elucidation of the Bispecificity of a Domains as a Basis for Activating Non-Natural Amino Acids.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4IG8
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1XOB
 | | THIOREDOXIN (REDUCED DITHIO FORM), NMR, 20 STRUCTURES | | 分子名称: | THIOREDOXIN | | 著者 | Jeng, M.-F, Campbell, A.P, Begley, T, Holmgren, A, Case, D.A, Wright, P.E, Dyson, H.J. | | 登録日 | 1995-11-28 | | 公開日 | 1996-06-10 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | High-resolution solution structures of oxidized and reduced Escherichia coli thioredoxin.
Structure, 2, 1994
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1XOA
 | | THIOREDOXIN (OXIDIZED DISULFIDE FORM), NMR, 20 STRUCTURES | | 分子名称: | THIOREDOXIN | | 著者 | Jeng, M.-F, Campbell, A.P, Begley, T, Holmgren, A, Case, D.A, Wright, P.E, Dyson, H.J. | | 登録日 | 1995-11-28 | | 公開日 | 1996-06-10 | | 最終更新日 | 2017-11-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | High-resolution solution structures of oxidized and reduced Escherichia coli thioredoxin.
Structure, 2, 1994
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1PLK
 | | CRYSTALLOGRAPHIC STUDIES ON P21H-RAS USING SYNCHROTRON LAUE METHOD: IMPROVEMENT OF CRYSTAL QUALITY AND MONITORING OF THE GTPASE REACTION AT DIFFERENT TIME POINTS | | 分子名称: | C-H-RAS P21 PROTEIN, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | | 著者 | Scheidig, A, Sanchez-Llorente, A, Lautwein, A, Pai, E.F, Corrie, J.E.T, Reid, G.P, Wittinghofer, A, Goody, R.S. | | 登録日 | 1994-03-13 | | 公開日 | 1994-07-31 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystallographic studies on p21(H-ras) using the synchrotron Laue method: improvement of crystal quality and monitoring of the GTPase reaction at different time points.
Acta Crystallogr.,Sect.D, 50, 1994
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1PLJ
 | | CRYSTALLOGRAPHIC STUDIES ON P21H-RAS USING SYNCHROTRON LAUE METHOD: IMPROVEMENT OF CRYSTAL QUALITY AND MONITORING OF THE GTPASE REACTION AT DIFFERENT TIME POINTS | | 分子名称: | C-H-RAS P21 PROTEIN, GUANOSINE 5'-TRIPHOSPHATE P3-[1-(2-NITROPHENYL)ETHYL ESTER], MAGNESIUM ION | | 著者 | Scheidig, A, Sanchez-Llorente, A, Lautwein, A, Pai, E.F, Corrie, J.E.T, Reid, G.P, Wittinghofer, A, Goody, R.S. | | 登録日 | 1994-03-13 | | 公開日 | 1994-07-31 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystallographic studies on p21(H-ras) using the synchrotron Laue method: improvement of crystal quality and monitoring of the GTPase reaction at different time points.
Acta Crystallogr.,Sect.D, 50, 1994
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1PLL
 | | CRYSTALLOGRAPHIC STUDIES ON P21H-RAS USING SYNCHROTRON LAUE METHOD: IMPROVEMENT OF CRYSTAL QUALITY AND MONITORING OF THE GTPASE REACTION AT DIFFERENT TIME POINTS | | 分子名称: | C-H-RAS P21 PROTEIN, GUANOSINE-5'-DIPHOSPHATE | | 著者 | Scheidig, A, Sanchez-Llorente, A, Lautwein, A, Pai, E.F, Corrie, J.E.T, Reid, G.P, Wittinghofer, A, Goody, R.S. | | 登録日 | 1994-03-13 | | 公開日 | 1994-07-31 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystallographic studies on p21(H-ras) using the synchrotron Laue method: improvement of crystal quality and monitoring of the GTPase reaction at different time points.
Acta Crystallogr.,Sect.D, 50, 1994
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3ZSE
 | | 3D Structure of a thermophilic family GH11 xylanase from Thermobifida fusca | | 分子名称: | 1,2-ETHANEDIOL, ENDO-1,4-BETA-XYLANASE, beta-D-xylopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-xylopyranose | | 著者 | Lammerts van Bueren, A, Otani, S, Friis, E.P, S Wilson, K, Davies, G.J. | | 登録日 | 2011-06-27 | | 公開日 | 2012-02-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Three-Dimensional Structure of a Thermophilic Family Gh11 Xylanase from Thermobifida Fusca.
Acta Crystallogr.,Sect.F, 68, 2012
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4D4I
 | | Understanding bi-specificity of A-domains | | 分子名称: | APNAA1, ARGININE, GLYCEROL, ... | | 著者 | Kaljunen, H, Schiefelbein, S.H.H, Stummer, D, Kozak, S, Meijers, R, Christiansen, G, Rentmeister, A. | | 登録日 | 2014-10-29 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Elucidation of the Bispecificity of a Domains as a Basis for Activating Non-Natural Amino Acids.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4D56
 | | Understanding bi-specificity of A-domains | | 分子名称: | ADENOSINE MONOPHOSPHATE, APNAA1, GLYCEROL, ... | | 著者 | Kaljunen, H, Schiefelbein, S.H.H, Stummer, D, Kozak, S, Meijers, R, Christiansen, G, Rentmeister, A. | | 登録日 | 2014-11-03 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural Elucidation of the Bispecificity of a Domains as a Basis for Activating Non-Natural Amino Acids.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4G8K
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4G8L
 | | Active state of intact sensor domain of human RNase L with 2-5A bound | | 分子名称: | 2-5A-dependent ribonuclease, 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE | | 著者 | Han, Y, Whitney, G, Donovan, J, Korennykh, A. | | 登録日 | 2012-07-23 | | 公開日 | 2012-10-31 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Innate Immune Messenger 2-5A Tethers Human RNase L into Active High-Order Complexes.
Cell Rep, 2, 2012
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