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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
Descriptor: 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid, CHLORIDE ION, FATTY-ACID AMIDE HYDROLASE 1, ...
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:2023-12-13
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
1AG5
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BU of 1ag5 by Molmil
THE SOLUTION STRUCTURE OF AN AFLATOXIN B1 EPOXIDE ADDUCT AT THE N7 POSITION OF GUANINE OPPOSITE AN ADENINE IN THE COMPLEMENTARY STRAND OF AN OLIGODEOXYNUCLEOTIDE DUPLEX, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1, DNA (5'-D(*CP*CP*AP*TP*CP*GP*AP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*TP*CP*AP*GP*AP*TP*GP*G)-3')
Authors:Johnson, D.S, Stone, M.P.
Deposit date:1997-04-01
Release date:1997-09-17
Last modified:2019-01-30
Method:SOLUTION NMR
Cite:Refined solution structure of 8,9-dihydro-8-(N7-guanyl)-9-hydroxyaflatoxin B1 opposite CpA in the complementary strand of an oligodeoxynucleotide duplex as determined by 1H NMR.
Biochemistry, 34, 1995
6AX1
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BU of 6ax1 by Molmil
Structure of human monoacylglycerol lipase bound to a covalent inhibitor
Descriptor: 1,1,1,3,3,3-hexafluoropropan-2-yl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate, GLYCEROL, Monoglyceride lipase
Authors:Pandit, J.
Deposit date:2017-09-06
Release date:2017-12-27
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Azetidine and Piperidine Carbamates as Efficient, Covalent Inhibitors of Monoacylglycerol Lipase.
J. Med. Chem., 60, 2017
6BQ0
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BU of 6bq0 by Molmil
Structure of human monoacylglycerol lipase bound to a covalent inhibitor
Descriptor: 1-({(1R,5S,6r)-6-[1-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carbonyl}oxy)pyrrolidine-2,5-dione, Monoglyceride lipase
Authors:Pandit, J.
Deposit date:2017-11-27
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Trifluoromethyl Glycol Carbamates as Potent and Selective Covalent Monoacylglycerol Lipase (MAGL) Inhibitors for Treatment of Neuroinflammation.
J. Med. Chem., 61, 2018
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
Descriptor: 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid, CHLORIDE ION, FATTY-ACID AMIDE HYDROLASE 1, ...
Authors:Mileni, M, Kamtekar, S, Stevens, R.C.
Deposit date:2009-02-11
Release date:2009-05-05
Last modified:2023-12-13
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
1DSI
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BU of 1dsi by Molmil
Solution structure of a duocarmycin sa-indole-alkylated dna dupleX
Descriptor: 4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-8-METHYL-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER, 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')
Authors:Schnell, J.R, Ketchem, R.R, Boger, D.L, Chazin, W.J.
Deposit date:1998-07-29
Release date:1998-08-05
Last modified:2022-02-16
Method:SOLUTION NMR
Cite: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
1E75
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BU of 1e75 by Molmil
NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN IM1 POINT MUTATION VARIANT R7L
Descriptor: ALPHA-CONOTOXIN IM1(R7L)
Authors:Rogers, J.P, Luginbuhl, P, Pemberton, K, Harty, P, Wemmer, D.E, Stevens, R.C.
Deposit date:2000-08-24
Release date:2000-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-Activity Relationships in a Peptidic Alpha7 Nicotinic Acetylcholine Receptor Antagonist
J.Mol.Biol., 304, 2000
1E76
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BU of 1e76 by Molmil
NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN IM1 POINT MUTATION VARIANT D5N
Descriptor: ALPHA-CONOTOXIN IM1(D5N)
Authors:Rogers, J.P, Luginbuhl, P, Pemberton, K, Harty, P, Wemmer, D.E, Stevens, R.C.
Deposit date:2000-08-24
Release date:2000-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-Activity Relationships in a Peptidic Alpha7 Nicotinic Acetylcholine Receptor Antagonist
J.Mol.Biol., 304, 2000
1E74
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NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN IM1 POINT MUTATION VARIANT R11E
Descriptor: ALPHA-CONOTOXIN IM1(R11E)
Authors:Rogers, J.P, Luginbuhl, P, Pemberton, K, Harty, P, Wemmer, D.E, Stevens, R.C.
Deposit date:2000-08-24
Release date:2000-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-Activity Relationships in a Peptidic Alpha7 Nicotinic Acetylcholine Receptor Antagonist
J.Mol.Biol., 304, 2000
1IM1
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BU of 1im1 by Molmil
NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN IM1, 20 STRUCTURES
Descriptor: ALPHA-CONOTOXIN IM1
Authors:Rogers, J.P, Luginbuhl, P, Shen, G.S, Mccabe, R.T, Stevens, R.C, Wemmer, D.E.
Deposit date:1998-11-18
Release date:1999-06-15
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:NMR solution structure of alpha-conotoxin ImI and comparison to other conotoxins specific for neuronal nicotinic acetylcholine receptors.
Biochemistry, 38, 1999

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