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2VYA
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BU of 2vya by Molmil
Crystal Structure of fatty acid amide hydrolase conjugated with the drug-like inhibitor PF-750
分子名称: 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid, CHLORIDE ION, FATTY-ACID AMIDE HYDROLASE 1, ...
著者Mileni, M, Johnson, D.S, Wang, Z, Everdeen, D.S, Liimatta, M, Pabst, B, Bhattacharya, K, Nugent, R.A, Kamtekar, S, Cravatt, B.F, Ahn, K, Stevens, R.C.
登録日2008-07-22
公開日2008-09-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure-Guided Inhibitor Design for Human Faah by Interspecies Active Site Conversion.
Proc.Natl.Acad.Sci.USA, 105, 2008
3K7F
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BU of 3k7f by Molmil
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
3K84
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BU of 3k84 by Molmil
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
2WJ2
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BU of 2wj2 by Molmil
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
2WJ1
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BU of 2wj1 by Molmil
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
3K83
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BU of 3k83 by Molmil
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
3LJ6
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BU of 3lj6 by Molmil
3D-CRYSTAL STRUCTURE OF HUMANIZED-RAT FATTY ACID AMIDE HYDROLASE (FAAH) CONJUGATED WITH THE DRUG-LIKE UREA INHIBITOR PF-3845 at 2.42A RESOLUTION
分子名称: 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid, CHLORIDE ION, Fatty-acid amide hydrolase 1
著者Mileni, M, Stevens, R.C, Kamtekar, S.
登録日2010-01-25
公開日2010-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Crystal structure of fatty acid amide hydrolase bound to the carbamate inhibitor URB597: discovery of a deacylating water molecule and insight into enzyme inactivation
J.Mol.Biol., 400, 2010
3LJ7
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BU of 3lj7 by Molmil
3D-crystal structure of humanized-rat fatty acid amide hydrolase (FAAH) conjugated with Carbamate inhibitor URB597
分子名称: CHLORIDE ION, CYCLOHEXANE AMINOCARBOXYLIC ACID, Fatty-acid amide hydrolase 1
著者Mileni, M, Stevens, R.C, Kamtekar, S.
登録日2010-01-25
公開日2010-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of fatty acid amide hydrolase bound to the carbamate inhibitor URB597: discovery of a deacylating water molecule and insight into enzyme inactivation
J.Mol.Biol., 400, 2010
3PR0
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BU of 3pr0 by Molmil
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
3PPM
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BU of 3ppm by Molmil
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
4J6S
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BU of 4j6s by Molmil
14-3-3gamma complexed with the N-terminal sequence of tyrosine hydroxylase (residues 1-43)
分子名称: 14-3-3 protein gamma, N-terminal motif of tyrosine hydroxylase
著者Mileni, M, Martinez, A, Stevens, R.C.
登録日2013-02-11
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献The N-terminal sequence of tyrosine hydroxylase is a conformationally versatile motif that binds 14-3-3 proteins and membranes.
J.Mol.Biol., 426, 2014
2WAP
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BU of 2wap by Molmil
3D-crystal structure of humanized-rat fatty acid amide hydrolase (FAAH) conjugated with the drug-like urea inhibitor PF-3845
分子名称: 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid, CHLORIDE ION, FATTY-ACID AMIDE HYDROLASE 1, ...
著者Mileni, M, Kamtekar, S, Stevens, R.C.
登録日2009-02-11
公開日2009-05-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery and Characterization of a Highly Selective Faah Inhibitor that Reduces Inflammatory Pain.
Chem.Biol., 16, 2009
3OJ8
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BU of 3oj8 by Molmil
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
4Z34
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BU of 4z34 by Molmil
Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO9780307
分子名称: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, Lysophosphatidic acid receptor 1, Soluble cytochrome b562, ...
著者Chrencik, J.E, Roth, C.B, Terakado, M, Kurata, H, Omi, R, Kihara, Y, Warshaviak, D, Nakade, S, Asmar-Rovira, G, Mileni, M, Mizuno, H, Griffith, M.T, Rodgers, C, Han, G.W, Velasquez, J, Chun, J, Stevens, R.C, Hanson, M.A, GPCR Network (GPCR)
登録日2015-03-30
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1.
Cell, 161, 2015
4Z35
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BU of 4z35 by Molmil
Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO-9910539
分子名称: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 3-{1-[(2S,3S)-3-(4-acetyl-3,5-dimethoxyphenyl)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1H-pyrrol-3-yl}propanoic acid, Lysophosphatidic acid receptor 1,Soluble cytochrome b562
著者Chrencik, J.E, Roth, C.B, Terakado, M, Kurata, H, Omi, R, Kihara, Y, Warshaviak, D, Nakade, S, Asmar-Rovira, G, Mileni, M, Mizuno, H, Griffith, M.T, Rodgers, C, Han, G.W, Velasquez, J, Chun, J, Stevens, R.C, Hanson, M.A, GPCR Network (GPCR)
登録日2015-03-30
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1.
Cell, 161, 2015
4DJH
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BU of 4djh by Molmil
Structure of the human kappa opioid receptor in complex with JDTic
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (3R)-7-hydroxy-N-{(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, CITRIC ACID, ...
著者Wu, H, Wacker, D, Katritch, V, Mileni, M, Han, G.W, Vardy, E, Liu, W, Thompson, A.A, Huang, X.P, Carroll, F.I, Mascarella, S.W, Westkaemper, R.B, Mosier, P.D, Roth, B.L, Cherezov, V, Stevens, R.C, GPCR Network (GPCR)
登録日2012-02-01
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献tructure of the human kappa-opioid receptor in complex with JDTic
Nature, 485, 2012
4Z36
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BU of 4z36 by Molmil
Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO-3080573
分子名称: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 1-(4-{[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropanecarboxylic acid, Lysophosphatidic acid receptor 1,Soluble cytochrome b562
著者Chrencik, J.E, Roth, C.B, Terakado, M, Kurata, H, Omi, R, Kihara, Y, Warshaviak, D, Nakade, S, Asmar-Rovira, G, Mileni, M, Mizuno, H, Griffith, M.T, Rodgers, C, Han, G.W, Velasquez, J, Chun, J, Stevens, R.C, Hanson, M.A, GPCR Network (GPCR)
登録日2015-03-30
公開日2015-06-03
最終更新日2015-07-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1.
Cell, 161, 2015
3POY
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BU of 3poy by Molmil
Crystal Structure of the alpha-Neurexin-1 ectodomain, LNS 2-6
分子名称: Neurexin-1-alpha, beta-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Miller, M.T, Mileni, M, Comoletti, D, Stevens, R.C, Harel, M, Taylor, P.
登録日2010-11-23
公開日2011-06-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献The crystal structure of the alpha-neurexin-1 extracellular region reveals a hinge point for mediating synaptic adhesion and function.
Structure, 19, 2011

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