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2VYA
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CRYSTAL STRUCTURE OF FATTY ACID AMIDE HYDROLASE CONJUGATED WITH THE DRUG-LIKE INHIBITOR PF-750
Descriptor:FATTY-ACID AMIDE HYDROLASE 1, UNKNOWN ATOM OR ION, 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid, ...
Authors: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.
Deposit date:2008-07-22
Release date:2008-09-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure-Guided Inhibitor Design for Human Faah by Interspecies Active Site Conversion.
Proc.Natl.Acad.Sci.USA, 105, 2008
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
Descriptor:FATTY-ACID AMIDE HYDROLASE 1, 7-phenyl-1-(4-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol, CHLORIDE ION
Authors:Mileni, M., Garfunkle, J., DeMartino, J.K., Cravatt, B.F., Boger, D.L., Stevens, R.C.
Deposit date:2009-05-19
Release date:2009-09-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite: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
Descriptor:FATTY ACID AMIDE HYDROLASE 1, 7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol, CHLORIDE ION
Authors:Mileni, M., Garfunkle, J., DeMartino, J.K., Cravatt, B.F., Boger, D.L., Stevens, R.C.
Deposit date:2009-05-19
Release date:2009-09-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite: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'
Descriptor:Fatty-acid amide hydrolase 1, 6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid, CHLORIDE ION, ...
Authors:Mileni, M., Stevens, R.C., Boger, D.L.
Deposit date:2009-10-13
Release date:2009-12-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor:Fatty-acid amide hydrolase 1, 6-[2-(3-biphenyl-4-ylpropanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid, CHLORIDE ION, ...
Authors:Mileni, M., Stevens, R.C., Boger, D.L.
Deposit date:2009-10-13
Release date:2009-12-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.251 Å)
Cite: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
Descriptor:Fatty-acid amide hydrolase 1, (9Z)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)octadec-9-en-1-one, CHLORIDE ION
Authors:Mileni, M., Stevens, R.C., Boger, D.L.
Deposit date:2009-10-13
Release date:2009-12-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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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3D-CRYSTAL STRUCTURE OF HUMANIZED-RAT FATTY ACID AMIDE HYDROLASE (FAAH) CONJUGATED WITH THE DRUG-LIKE UREA INHIBITOR PF-3845 AT 2.42A RESOLUTION
Descriptor:Fatty-acid amide hydrolase 1, 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid, CHLORIDE ION
Authors:Mileni, M., Stevens, R.C., Kamtekar, S.
Deposit date:2010-01-25
Release date:2010-06-09
Last modified:2011-12-14
Method:X-RAY DIFFRACTION (2.42 Å)
Cite: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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3D-CRYSTAL STRUCTURE OF HUMANIZED-RAT FATTY ACID AMIDE HYDROLASE (FAAH) CONJUGATED WITH CARBAMATE INHIBITOR URB597
Descriptor:Fatty-acid amide hydrolase 1, CYCLOHEXANE AMINOCARBOXYLIC ACID, CHLORIDE ION
Authors:Mileni, M., Stevens, R.C., Kamtekar, S.
Deposit date:2010-01-25
Release date:2010-06-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
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
Descriptor:Fatty-acid amide hydrolase 1, 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one, CHLORIDE ION, ...
Authors:Mileni, M., Han, G.W., Boger, D.L., Stevens, R.C.
Deposit date:2010-11-24
Release date:2011-11-09
Method:X-RAY DIFFRACTION (1.78 Å)
Cite: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
3PR0
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CRYSTAL STRUCTURE OF A COVALENTLY BOUND ALPHA-KETOHETEROCYCLE INHIBITOR (PHENHEXYL/OXADIAZOLE/PYRIDINE) TO A HUMANIZED VARIANT OF FATTY ACID AMIDE HYDROLASE
Descriptor:Fatty Acid Amide Hydrolase 1, 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol, CHLORIDE ION, ...
Authors:Mileni, M., Han, G.W., Boger, D.L., Stevens, R.C.
Deposit date:2010-11-29
Release date:2011-11-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
2WAP
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3D-CRYSTAL STRUCTURE OF HUMANIZED-RAT FATTY ACID AMIDE HYDROLASE (FAAH) CONJUGATED WITH THE DRUG-LIKE UREA INHIBITOR PF-3845
Descriptor:FATTY-ACID AMIDE HYDROLASE 1, 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid, CHLORIDE ION, ...
Authors:Mileni, M., Kamtekar, S., Stevens, R.C.
Deposit date:2009-02-11
Release date:2009-05-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and Characterization of a Highly Selective Faah Inhibitor that Reduces Inflammatory Pain.
Chem.Biol., 16, 2009
3OJ8
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ALPHA-KETOHETEROCYCLE INHIBITORS OF FATTY ACID AMIDE HYDROLASE CONTAINING ADDITIONAL CONFORMATIONAL CONTRAINTS IN THE ACYL SIDE CHAIN
Descriptor: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
Authors:Mileni, M., Stevens, R.C., Boger, D.L.
Deposit date:2010-08-20
Release date:2011-07-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:alpha-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Containing Additional Conformational Contraints in the Acyl Side Chain
J.Med.Chem., 54, 2011
4J6S
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14-3-3GAMMA COMPLEXED WITH THE N-TERMINAL SEQUENCE OF TYROSINE HYDROXYLASE (RESIDUES 1-43)
Descriptor:14-3-3 protein gamma, N-terminal motif of tyrosine hydroxylase
Authors:Mileni, M., Martinez, A., Stevens, R.C.
Deposit date:2013-02-11
Release date:2013-10-02
Last modified:2014-01-08
Method:X-RAY DIFFRACTION (3.08 Å)
Cite: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
3POY
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CRYSTAL STRUCTURE OF THE ALPHA-NEUREXIN-1 ECTODOMAIN, LNS 2-6
Descriptor:Neurexin-1-alpha, BETA-D-GLUCOSE, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Miller, M.T., Mileni, M., Comoletti, D., Stevens, R.C., Harel, M., Taylor, P.
Deposit date:2010-11-23
Release date:2011-06-08
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:The crystal structure of the alpha-neurexin-1 extracellular region reveals a hinge point for mediating synaptic adhesion and function.
Structure, 19, 2011
4Z34
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CRYSTAL STRUCTURE OF HUMAN LYSOPHOSPHATIDIC ACID RECEPTOR 1 IN COMPLEX WITH ONO9780307
Descriptor:Lysophosphatidic acid receptor 1, Soluble cytochrome b562, {1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1H-pyrrol-3-yl}acetic acid, ...
Authors: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)
Deposit date:2015-03-30
Release date:2015-06-03
Last modified:2015-07-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1.
Cell, 161, 2015
4Z35
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CRYSTAL STRUCTURE OF HUMAN LYSOPHOSPHATIDIC ACID RECEPTOR 1 IN COMPLEX WITH ONO-9910539
Descriptor:Lysophosphatidic acid receptor 1,Soluble cytochrome b562, 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, (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate
Authors: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)
Deposit date:2015-03-30
Release date:2015-06-03
Last modified:2015-07-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1.
Cell, 161, 2015
4Z36
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CRYSTAL STRUCTURE OF HUMAN LYSOPHOSPHATIDIC ACID RECEPTOR 1 IN COMPLEX WITH ONO-3080573
Descriptor:Lysophosphatidic acid receptor 1,Soluble cytochrome b562, 1-(4-{[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropanecarboxylic acid, (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate
Authors: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)
Deposit date:2015-03-30
Release date:2015-06-03
Last modified:2015-07-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1.
Cell, 161, 2015
4DJH
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STRUCTURE OF THE HUMAN KAPPA OPIOID RECEPTOR IN COMPLEX WITH JDTIC
Descriptor:Kappa-type opioid receptor, Lysozyme, (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, ...
Authors: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)
Deposit date:2012-02-01
Release date:2012-03-21
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:tructure of the human kappa-opioid receptor in complex with JDTic
Nature, 485, 2012