4EW2
 
 | | The structure of human glycinamide ribonucleotide transformylase in complex with 10S-methylthio-DDATHF. | | 分子名称: | N-({4-[(1S)-4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-1-(methylsulfanyl)butyl]phenyl}carbonyl)-L-glutamic acid, PHOSPHATE ION, SULFATE ION, ... | | 著者 | Connelly, S, DeMartino, K, Boger, D.L, Wilson, I.A. | | 登録日 | 2012-04-26 | | 公開日 | 2013-07-31 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.602 Å) | | 主引用文献 | Biological and Structural Evaluation of 10R- and 10S-Methylthio-DDACTHF Reveals a New Role for Sulfur in Inhibition of Glycinamide Ribonucleotide Transformylase.
Biochemistry, 52, 2013
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8GJV
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1C3E
 | | NEW INSIGHTS INTO INHIBITOR DESIGN FROM THE CRYSTAL STRUCTURE AND NMR STUDIES OF E. COLI GAR TRANSFORMYLATE IN COMPLEX WITH BETA-GAR AND 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID. | | 分子名称: | 2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, GLYCINAMIDE RIBONUCLEOTIDE, GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE | | 著者 | Greasley, S.E, Yamashita, M.M, Cai, H, Benkovic, S.J, Boger, D.L, Wilson, I.A. | | 登録日 | 1999-07-27 | | 公開日 | 1999-12-29 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | New insights into inhibitor design from the crystal structure and NMR studies of Escherichia coli GAR transformylase in complex with beta-GAR and 10-formyl-5,8,10-trideazafolic acid.
Biochemistry, 38, 1999
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1C2T
 | | NEW INSIGHTS INTO INHIBITOR DESIGN FROM THE CRYSTAL STRUCTURE AND NMR STUDIES OF E. COLI GAR TRANSFORMYLASE IN COMPLEX WITH BETA-GAR AND 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID. | | 分子名称: | 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID, GLYCINAMIDE RIBONUCLEOTIDE, GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE | | 著者 | Greasley, S.E, Yamashita, M.M, Cai, H, Benkovic, S.J, Boger, D.L, Wilson, I.A. | | 登録日 | 1999-07-26 | | 公開日 | 2000-01-05 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | New insights into inhibitor design from the crystal structure and NMR studies of Escherichia coli GAR transformylase in complex with beta-GAR and 10-formyl-5,8,10-trideazafolic acid.
Biochemistry, 38, 1999
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3OJ8
 | | Alpha-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Containing Additional Conformational Contraints in the Acyl Side Chain | | 分子名称: | (S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl](5-pyridin-2-yl-1,3-oxazol-2-yl)methanol, CHLORIDE ION, Fatty-acid amide hydrolase 1 | | 著者 | Mileni, M, Stevens, R.C, Boger, D.L. | | 登録日 | 2010-08-20 | | 公開日 | 2011-07-06 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | alpha-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Containing Additional Conformational Contraints in the Acyl Side Chain
J.Med.Chem., 54, 2011
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4J5P
 | | Crystal Structure of a Covalently Bound alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to a Humanized Variant of Fatty Acid Amide Hydrolase | | 分子名称: | (1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Otrubova, K, Brown, M, McCormick, M.S, Han, G.W, O'Neal, S.T, Cravatt, B.F, Stevens, R.C, Lichtman, A.H, Boger, D.L. | | 登録日 | 2013-02-08 | | 公開日 | 2013-05-01 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Rational design of Fatty Acid amide hydrolase inhibitors that act by covalently bonding to two active site residues.
J.Am.Chem.Soc., 135, 2013
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4EW1
 | | High resolution structure of human glycinamide ribonucleotide transformylase in apo form. | | 分子名称: | PHOSPHATE ION, SULFATE ION, Trifunctional purine biosynthetic protein adenosine-3 | | 著者 | Connelly, S, DeMartino, K, Boger, D.L, Wilson, I.A. | | 登録日 | 2012-04-26 | | 公開日 | 2013-07-31 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.522 Å) | | 主引用文献 | Biological and Structural Evaluation of 10R- and 10S-Methylthio-DDACTHF Reveals a New Role for Sulfur in Inhibition of Glycinamide Ribonucleotide Transformylase.
Biochemistry, 52, 2013
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4EW3
 | | The structure of human glycinamide ribonucleotide transformylase in complex with 10R-methylthio-DDATHF. | | 分子名称: | N-({4-[(1R)-4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-1-(methylsulfanyl)butyl]phenyl}carbonyl)-L-glutamic acid, PHOSPHATE ION, SULFATE ION, ... | | 著者 | Connelly, S, DeMartino, K, Boger, D.L, Wilson, I.A. | | 登録日 | 2012-04-26 | | 公開日 | 2013-07-31 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.702 Å) | | 主引用文献 | Biological and Structural Evaluation of 10R- and 10S-Methylthio-DDACTHF Reveals a New Role for Sulfur in Inhibition of Glycinamide Ribonucleotide Transformylase.
Biochemistry, 52, 2013
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2WJ2
 | | 3D-crystal structure of humanized-rat fatty acid amide hydrolase (FAAH) conjugated with 7-phenyl-1-(5-(pyridin-2-yl)oxazol-2-yl)heptan- 1-one, an alpha-ketooxazole | | 分子名称: | 7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol, CHLORIDE ION, FATTY ACID AMIDE HYDROLASE 1 | | 著者 | Mileni, M, Garfunkle, J, DeMartino, J.K, Cravatt, B.F, Boger, D.L, Stevens, R.C. | | 登録日 | 2009-05-19 | | 公開日 | 2009-09-15 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Binding and Inactivation Mechanism of a Humanized Fatty Acid Amide Hydrolase by Alpha-Ketoheterocycle Inhibitors Revealed from Cocrystal Structures.
J.Am.Chem.Soc., 131, 2009
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2WJ1
 | | 3D-crystal structure of humanized-rat fatty acid amide hydrolase (FAAH) conjugated with 7-phenyl-1-(4-(pyridin-2-yl)oxazol-2-yl)heptan- 1-one, an alpha-ketooxazole | | 分子名称: | 7-phenyl-1-(4-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol, CHLORIDE ION, FATTY-ACID AMIDE HYDROLASE 1 | | 著者 | Mileni, M, Garfunkle, J, DeMartino, J.K, Cravatt, B.F, Boger, D.L, Stevens, R.C. | | 登録日 | 2009-05-19 | | 公開日 | 2009-09-15 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Binding and Inactivation Mechanism of a Humanized Fatty Acid Amide Hydrolase by Alpha-Ketoheterocycle Inhibitors Revealed from Cocrystal Structures.
J.Am.Chem.Soc., 131, 2009
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3PR0
 | | Crystal Structure of a Covalently Bound alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to a Humanized Variant of Fatty Acid Amide Hydrolase | | 分子名称: | 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Mileni, M, Han, G.W, Boger, D.L, Stevens, R.C. | | 登録日 | 2010-11-29 | | 公開日 | 2011-11-16 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Fluoride-mediated capture of a noncovalent bound state of a reversible covalent enzyme inhibitor: X-ray crystallographic analysis of an exceptionally potent alpha-ketoheterocycle inhibitor of fatty acid amide hydrolase.
J.Am.Chem.Soc., 133, 2011
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2IU3
 | | Crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase | | 分子名称: | 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, POTASSIUM ION | | 著者 | Xu, L, Chong, Y, Hwang, I, D'Onofrio, A, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A. | | 登録日 | 2006-05-27 | | 公開日 | 2007-02-20 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structure-based design, synthesis, evaluation, and crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase.
J. Biol. Chem., 282, 2007
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2IU0
 | | crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase | | 分子名称: | 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, POTASSIUM ION | | 著者 | Xu, L, Chong, Y, Hwang, I, Onofrio, A.D, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A. | | 登録日 | 2006-05-26 | | 公開日 | 2007-02-20 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Structure-Based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase
J.Biol.Chem., 282, 2007
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3PPM
 | | Crystal Structure of a Noncovalently Bound alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to a Humanized Variant of Fatty Acid Amide Hydrolase | | 分子名称: | 1-DODECANOL, 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one, CHLORIDE ION, ... | | 著者 | Mileni, M, Han, G.W, Boger, D.L, Stevens, R.C. | | 登録日 | 2010-11-24 | | 公開日 | 2011-11-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Fluoride-mediated capture of a noncovalent bound state of a reversible covalent enzyme inhibitor: X-ray crystallographic analysis of an exceptionally potent alpha-ketoheterocycle inhibitor of fatty acid amide hydrolase.
J.Am.Chem.Soc., 133, 2011
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3K7F
 | | Crystal Structure Analysis of a Phenhexyl/Oxazole/Carboxypyridine alpha-Ketoheterocycle Inhibitor Bound to a Humanized Variant of Fatty Acid Amide Hydrolase' | | 分子名称: | 6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid, CHLORIDE ION, Fatty-acid amide hydrolase 1, ... | | 著者 | Mileni, M, Stevens, R.C, Boger, D.L. | | 登録日 | 2009-10-13 | | 公開日 | 2009-12-01 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | X-ray crystallographic analysis of alpha-ketoheterocycle inhibitors bound to a humanized variant of fatty acid amide hydrolase.
J.Med.Chem., 53, 2010
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3K84
 | | Crystal Structure Analysis of a Oleyl/Oxadiazole/pyridine Inhibitor Bound to a Humanized Variant of Fatty Acid Amide Hydrolase | | 分子名称: | (9Z)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)octadec-9-en-1-one, CHLORIDE ION, Fatty-acid amide hydrolase 1 | | 著者 | Mileni, M, Stevens, R.C, Boger, D.L. | | 登録日 | 2009-10-13 | | 公開日 | 2009-12-01 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | X-ray crystallographic analysis of alpha-ketoheterocycle inhibitors bound to a humanized variant of fatty acid amide hydrolase.
J.Med.Chem., 53, 2010
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3K83
 | | Crystal Structure Analysis of a Biphenyl/Oxazole/Carboxypyridine alpha-ketoheterocycle Inhibitor Bound to a Humanized Variant of Fatty Acid Amide Hydrolase | | 分子名称: | 1-DODECANOL, 6-[2-(3-biphenyl-4-ylpropanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid, CHLORIDE ION, ... | | 著者 | Mileni, M, Stevens, R.C, Boger, D.L. | | 登録日 | 2009-10-13 | | 公開日 | 2009-12-01 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.251 Å) | | 主引用文献 | X-ray crystallographic analysis of alpha-ketoheterocycle inhibitors bound to a humanized variant of fatty acid amide hydrolase.
J.Med.Chem., 53, 2010
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1MEJ
 | | Human Glycinamide Ribonucleotide Transformylase domain at pH 8.5 | | 分子名称: | GLYCEROL, PHOSPHATE ION, Phosphoribosylglycinamide formyltransferase | | 著者 | Zhang, Y, Desharnais, J, Greasley, S.E, Beardsley, G.P, Boger, D.L, Wilson, I.A. | | 登録日 | 2002-08-08 | | 公開日 | 2002-12-18 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structures of human GAR Tfase of low and high pH and with substrate beta-GAR
Biochemistry, 41, 2002
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1MEO
 | | human glycinamide ribonucleotide Transformylase at pH 4.2 | | 分子名称: | PHOSPHATE ION, Phosphoribosylglycinamide formyltransferase, SULFATE ION | | 著者 | Zhang, Y, Desharnais, J, Greasley, S.E, Beardsley, G.P, Boger, D.L, Wilson, I.A. | | 登録日 | 2002-08-08 | | 公開日 | 2002-12-18 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Crystal structures of human GAR Tfase of low and high pH and with substrate beta-GAR
Biochemistry, 41, 2002
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1MEN
 | | complex structure of human GAR Tfase and substrate beta-GAR | | 分子名称: | GLYCINAMIDE RIBONUCLEOTIDE, Phosphoribosylglycinamide formyltransferase | | 著者 | Zhang, Y, Desharnais, J, Greasley, S.E, Beardsley, G.P, Boger, D.L, Wilson, I.A. | | 登録日 | 2002-08-08 | | 公開日 | 2002-12-18 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Crystal structures of human GAR Tfase of low and high pH and with substrate beta-GAR
Biochemistry, 41, 2002
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1NJS
 | | human GAR Tfase in complex with hydrolyzed form of 10-trifluoroacetyl-5,10-dideaza-acyclic-5,6,7,8-tetrahydrofolic acid | | 分子名称: | N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-D-GLUTAMIC ACID, PHOSPHATE ION, Phosphoribosylglycinamide formyltransferase | | 著者 | Zhang, Y, Desharnais, J, Marsilje, T.H, Li, C, Hedrick, M.P, Gooljarsingh, L.T, Tavassoli, A, Benkovic, S.J, Olson, A.J, Boger, D.L, Wilson, I.A. | | 登録日 | 2003-01-02 | | 公開日 | 2003-06-10 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Rational Design, Synthesis, Evaluation, and Crystal Structure of a Potent Inhibitor of Human GAR Tfase: 10-(Trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic Acid
Biochemistry, 42, 2003
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2B1G
 | | Crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase | | 分子名称: | 7-(3,4-DIHYDROXY-5R-HYDROXYMETHYLTETRAHYDROFURAN-2-YL)-2,2-DIOXO-1,2R,3R,7-TETRAHYDRO-2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN-4S-ONE, Bifunctional purine biosynthesis protein PURH, PHOSPHATE ION, ... | | 著者 | Xu, L, Chong, Y, Hwang, I, D'Onofrio, A, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A. | | 登録日 | 2005-09-15 | | 公開日 | 2006-11-21 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase.
J.Biol.Chem., 282, 2007
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2B1I
 | | crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase | | 分子名称: | Bifunctional purine biosynthesis protein PURH, POTASSIUM ION, [3,4-DIHYDROXY-5R-(2,2,4-TRIOXO-1,2R,3S,4R-TETRAHYDRO-2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN-7-YL)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE | | 著者 | Xu, L, Chong, Y, Hwang, I, D'Onofrio, A, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A. | | 登録日 | 2005-09-15 | | 公開日 | 2006-11-21 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Structure-based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase.
J.Biol.Chem., 282, 2007
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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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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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