Author results

1DSI
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SOLUTION STRUCTURE OF A DUOCARMYCIN SA-INDOLE-ALKYLATED DNA DUPLEX
分子名称:DNA (5'-D(*GP*AP*CP*TP*AP*AP*TP*TP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*AP*AP*TP*TP*AP*GP*TP*C)-3'), 4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-8-METHYL-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER
著者Schnell, J.R., Ketchem, R.R., Boger, D.L., Chazin, W.J.
登録日1998-07-29
公開日1998-08-05
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献Binding-Induced Activation of DNA Alkylation by Duocarmycin SA: Insights from the Structure of an Indole Derivative-DNA Adduct
J.Am.Chem.Soc., 121, 1999
1C2T
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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:GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE, 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID, GLYCINAMIDE RIBONUCLEOTIDE
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2017-10-04
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
1C3E
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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:GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE, 2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, GLYCINAMIDE RIBONUCLEOTIDE
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2018-01-31
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
1JKX
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UNEXPECTED FORMATION OF AN EPOXIDE-DERIVED MULTISUBSTRATE ADDUCT INHIBITOR ON THE ACTIVE SITE OF GAR TRANSFORMYLASE
分子名称:PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE, N-[5'-O-PHOSPHONO-RIBOFURANOSYL]-2-[2-HYDROXY-2-[4-[GLUTAMIC ACID]-N-CARBONYLPHENYL]-3-[2-AMINO-4-HYDROXY-QUINAZOLIN-6-YL]-PROPANYLAMINO]-ACETAMIDE
著者Greasley, S.E., Marsilje, T.H., Cai, H., Baker, S., Benkovic, S.J., Boger, D.L., Wilson, I.A.
登録日2001-07-13
公開日2001-11-30
最終更新日2018-05-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Unexpected formation of an epoxide-derived multisubstrate adduct inhibitor on the active site of GAR transformylase.
Biochemistry, 40, 2001
1MEJ
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HUMAN GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE DOMAIN AT PH 8.5
分子名称:Phosphoribosylglycinamide formyltransferase, PHOSPHATE ION, GLYCEROL
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2011-07-13
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
1MEN
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COMPLEX STRUCTURE OF HUMAN GAR TFASE AND SUBSTRATE BETA-GAR
分子名称:Phosphoribosylglycinamide formyltransferase, GLYCINAMIDE RIBONUCLEOTIDE
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2011-07-13
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
1MEO
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HUMAN GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE AT PH 4.2
分子名称:Phosphoribosylglycinamide formyltransferase, PHOSPHATE ION, 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2011-07-13
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
1NJS
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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:Phosphoribosylglycinamide formyltransferase, PHOSPHATE ION, 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
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2011-07-13
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
1RBM
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HUMAN GAR TFASE COMPLEX STRUCTURE WITH POLYGLUTAMATED 10-(TRIFLUOROACETYL)-5,10-DIDEAZAACYCLIC-5,6,7,8-TETRAHYDROFOLIC ACID
分子名称:PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE, PHOSPHATE ION, N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO-PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID
著者Zhang, Y., Desharnais, J., Boger, D.L., Wilson, I.A.
登録日2003-11-03
公開日2005-06-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Human GAR Tfase complex structure
To be Published
1RBQ
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HUMAN GAR TFASE COMPLEX STRUCTURE WITH 10-(TRIFLUOROACETYL)-5,10-DIDEAZAACYCLIC-5,6,7,8-TETRAHYDROFOLIC ACID
分子名称:PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE, PHOSPHATE ION, 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
著者Zhang, Y., Desharnais, J., Boger, D.L., Wilson, I.A.
登録日2003-11-03
公開日2005-06-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献Human GAR Tfase complex structure with polyglutamated 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid
To be Published
1RBY
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HUMAN GAR TFASE COMPLEX STRUCTURE WITH 10-(TRIFLUOROACETYL)-5,10-DIDEAZAACYCLIC-5,6,7,8-TETRAHYDROFOLIC ACID AND SUBSTRATE BETA-GAR
分子名称:PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE, 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, GLYCINAMIDE RIBONUCLEOTIDE
著者Zhang, Y., Desharnais, J., Boger, D.L., Wilson, I.A.
登録日2003-11-03
公開日2005-06-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Human GAR Tfase complex structure
To be Published
1RBZ
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HUMAN GAR TFASE COMPLEX STRUCTURE WITH POLYGLUTAMATED 10-(TRIFLUOROACETYL)-5,10-DIDEAZAACYCLIC-5,6,7,8-TETRAHYDROFOLIC ACID
分子名称:PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE, N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO-PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID
著者Zhang, Y., Desharnais, J., Boger, D.L., Wilson, I.A.
登録日2003-11-03
公開日2005-06-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human GAR Tfase complex structure
To be Published
1RC0
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HUMAN GAR TFASE COMPLEX STRUCTURE WITH POLYGLUTAMATED 10-(TRIFLUOROACETYL)-5,10-DIDEAZAACYCLIC-5,6,7,8-TETRAHYDROFOLIC ACID
分子名称:PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE, N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO-PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID
著者Zhang, Y., Desharnais, J., Boger, D.L., Wilson, I.A.
登録日2003-11-03
公開日2005-06-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Human GAR Tfase complex structure
To be Published
1RC1
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HUMAN GAR TFASE COMPLEX STRUCTURE WITH POLYGLUTAMATED 10-(TRIFLUOROACETYL)-5,10-DIDEAZAACYCLIC-5,6,7,8-TETRAHYDROFOLIC ACID
分子名称:PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE, PHOSPHATE ION, N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO-PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID
著者Zhang, Y., Desharnais, J., Boger, D.L., Wilson, I.A.
登録日2003-11-03
公開日2005-06-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Human GAR Tfase complex structure
To be Published
2B1G
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CRYSTAL STRUCTURES OF TRANSITION STATE ANALOGUE INHIBITORS OF INOSINE MONOPHOSPHATE CYCLOHYDROLASE
分子名称:Bifunctional purine biosynthesis protein PURH, PHOSPHATE ION, 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2005-09-15
公開日2006-11-21
最終更新日2017-10-11
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
2B1I
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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2017-10-11
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
2IU0
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CRYSTAL STRUCTURES OF TRANSITION STATE ANALOGUE INHIBITORS OF INOSINE MONOPHOSPHATE CYCLOHYDROLASE
分子名称:BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, POTASSIUM ION, 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE
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2019-05-22
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
2IU3
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CRYSTAL STRUCTURES OF TRANSITION STATE ANALOGUE INHIBITORS OF INOSINE MONOPHOSPHATE CYCLOHYDROLASE
分子名称:BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, POTASSIUM ION, 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE
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2019-05-22
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
2WJ1
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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:FATTY-ACID AMIDE HYDROLASE 1, 7-phenyl-1-(4-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol, CHLORIDE ION
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2011-07-13
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
2WJ2
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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:FATTY ACID AMIDE HYDROLASE 1, 7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol, CHLORIDE ION
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2011-07-13
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
3K7F
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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:Fatty-acid amide hydrolase 1, 6-[2-(7-phenylheptanoyl)-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2011-07-13
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
3K83
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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:Fatty-acid amide hydrolase 1, 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2011-07-13
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
3K84
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CRYSTAL STRUCTURE ANALYSIS OF A OLEYL/OXADIAZOLE/PYRIDINE INHIBITOR BOUND TO A HUMANIZED VARIANT OF FATTY ACID AMIDE HYDROLASE
分子名称:Fatty-acid amide hydrolase 1, (9Z)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)octadec-9-en-1-one, 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2011-07-13
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
3OJ8
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ALPHA-KETOHETEROCYCLE INHIBITORS OF FATTY ACID AMIDE HYDROLASE CONTAINING ADDITIONAL CONFORMATIONAL CONTRAINTS IN THE ACYL SIDE CHAIN
分子名称:Fatty-acid amide hydrolase 1, (S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl](5-pyridin-2-yl-1,3-oxazol-2-yl)methanol, CHLORIDE ION
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
3PPM
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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:Fatty-acid amide hydrolase 1, 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
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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