Crystal structure of a soluble form of human monoglyceride lipase in complex with an inhibitor at 1.35 Å resolution

No abstract is available for this paper.

• Publication year

  2011

• Venue

  Protein Science

• Publication date

  2011-04-01

• Fields of study

  Medicine, Chemistry

• Identifiers
  DOI 10.1002/pro.596PMID 21308848PMCID PMC3081545
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• Crystal Structure of the Human Monoacylglycerol Lipase, a Key Actor in Endocannabinoid Signaling

  2010influential reference
• Structural basis for human monoglyceride lipase inhibition.

  2010influential reference
• Disulfiram is an Inhibitor of Human Purified Monoacylglycerol Lipase, the Enzyme Regulating 2‐Arachidonoylglycerol Signaling

  2007cited by this paper
• Intestinal Monoacylglycerol Metabolism

  2007cited by this paper
• PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations

  2007cited by this paper
• Phaser crystallographic software

  2007cited by this paper
• Iterative model building, structure refinement and density modification with the PHENIX AutoBuild wizard

  2007cited by this paper
• A Comprehensive Profile of Brain Enzymes that Hydrolyze the Endocannabinoid 2‐Arachidonoylglycerol

  2007cited by this paper
• CB2 cannabinoid receptor mediation of antinociception

  2006cited by this paper
• Entropy and surface engineering in protein crystallization.

  2006cited by this paper
• Modulation of the cannabinoid CB2 receptor in microglial cells in response to inflammatory stimuli

  2005cited by this paper
• Behavioral, pharmacological and molecular characterization of the saphenous nerve partial ligation: a new model of neuropathic pain.

  2005cited by this paper
• Crystal structures of RsbQ, a stress‐response regulator in Bacillus subtilis

  2005cited by this paper
• Thermodynamic stability of carbonic anhydrase: measurements of binding affinity and stoichiometry using ThermoFluor.

  2005cited by this paper
• RNA Interference Suggests a Primary Role for Monoacylglycerol Lipase in the Degradation of the Endocannabinoid 2-Arachidonoylglycerol

  2004cited by this paper
• Selective Activation of Cannabinoid CB2 Receptors Suppresses Hyperalgesia Evoked by Intradermal Capsaicin

  2004cited by this paper
• Coot: model-building tools for molecular graphics.

  2004cited by this paper
• Inhibition of Inflammatory Hyperalgesia by Activation of Peripheral CB2 Cannabinoid Receptors

  2003cited by this paper
• A role for monoglyceride lipase in 2-arachidonoylglycerol inactivation.

  2002cited by this paper
• The impact of Glu-->Ala and Glu-->Asp mutations on the crystallization properties of RhoGDI: the structure of RhoGDI at 1.3 A resolution.

  2002cited by this paper
• The PyMOL Molecular Graphics System

  2002cited by this paper
• Inhibition of pain responses by activation of CB(2) cannabinoid receptors.

  2002cited by this paper
• Brain monoglyceride lipase participating in endocannabinoid inactivation

  2002cited by this paper
• Spinal and peripheral mechanisms of cannabinoid antinociception: behavioral, neurophysiological and neuroanatomical perspectives.

  2002cited by this paper
• Protein crystallization by rational mutagenesis of surface residues: Lys to Ala mutations promote crystallization of RhoGDI.

  2001cited by this paper
• Electrostatics of nanosystems: Application to microtubules and the ribosome

  2001cited by this paper
• High-density miniaturized thermal shift assays as a general strategy for drug discovery.

  2001cited by this paper
• CB2 cannabinoid receptor‐mediated peripheral antinociception

  2001cited by this paper
• The GeneMine system for genome/proteome annotation and collaborative data mining

  2001cited by this paper
• Evidence That 2-Arachidonoylglycerol but Not N-Palmitoylethanolamine or Anandamide Is the Physiological Ligand for the Cannabinoid CB2 Receptor

  2000cited by this paper
• Endocannabinoid 2-arachidonyl glycerol is a full agonist through human type 2 cannabinoid receptor: antagonism by anandamide.

  2000cited by this paper
• Expression, purification, and characterization of histidine-tagged mouse monoglyceride lipase from baculovirus-infected insect cells.

  2000cited by this paper
• Cannabinoid CB(1) receptor expression in rat spinal cord.

  2000cited by this paper
• Alpha/Beta-hydrolase fold enzymes: structures, functions and mechanisms.

  2000cited by this paper
• Of barn owls and bankers: a lush variety of alpha/beta hydrolases.

  1999cited by this paper
• HU-308: a specific agonist for CB(2), a peripheral cannabinoid receptor.

  1999cited by this paper
• Of barn owls and bankers: a lush variety of α/β hydrolases

  1999cited by this paper
• The finer things in X-ray diffraction data collection.

  1999cited by this paper
• Cannabinoid receptors undergo axonal flow in sensory nerves.

  1999cited by this paper
• Protein Data Bank (PDB): database of three-dimensional structural information of biological macromolecules.

  1998cited by this paper
• Processing of X-ray diffraction data collected in oscillation mode.

  1997cited by this paper
• cDNA Cloning, Tissue Distribution, and Identification of the Catalytic Triad of Monoglyceride Lipase

  1997influential reference
• Gapped BLAST and PSI-BLAST: a new generation of protein database search programs.

  1997cited by this paper
• Purification and properties of a monoacylglycerol lipase in human erythrocytes.

  1995cited by this paper
• Expression of central and peripheral cannabinoid receptors in human immune tissues and leukocyte subpopulations.

  1995cited by this paper
• The CCP4 suite: programs for protein crystallography.

  1994cited by this paper
• Molecular characterization of a peripheral receptor for cannabinoids

  1993cited by this paper
• The α/β hydrolase fold

  1992cited by this paper
• The alpha/beta hydrolase fold.

  1992cited by this paper
• Accurate modeling of protein conformation by automatic segment matching.

  1992cited by this paper
• Basic local alignment search tool.

  1990cited by this paper
• Structure of a cannabinoid receptor and functional expression of the cloned cDNA

  1990cited by this paper
• A rapid and sensitive method for the quantitation of microgram quantities of protein utilizing the principle of protein-dye binding.

  1976cited by this paper
• Purification and some properties of a monoacylglycerol-hydrolyzing enzyme of rat adipose tissue.

  1976cited by this paper
• Electronic Reprint Biological Crystallography Phenix: Building New Software for Automated Crystallographic Structure Determination Biological Crystallography Phenix: Building New Software for Automated Crystallographic Structure Determination

  year unknowncited by this paper
• Electronic Reprint Biological Crystallography Iterative Model Building, Structure Refinement and Density Modification with the Phenix Autobuild Wizard Biological Crystallography Iterative Model Building, Structure Refinement and Density Modification with the Phenix Autobuild Wizard

  year unknowncited by this paper

• Partial glyceride lipase with unique glyceride specificity: Its origin, classification, structural features, enzymatic and catalytic properties, and application potential.

  2026cites this paper
• Synthesis and biological evaluation of methylene spacer incorporated 4-methylsulfonyl phenyl semicarbazones as dual FAAH-MAGL inhibitors

  2025cites this paper
• Integrating synthesis, enzyme inhibition and in silico studies: Carbamoyl luteolin derivatives targeting Alzheimer's disease

  2025cites this paper
• Carbamoyl flavonoids as dual inhibitors of acetylcholinesterase and monoacylglycerol lipase: synthesis, in vitro evaluation, and computational studies

  2025cites this paper
• Flavonoid carbamate hybrids: design, synthesis, and evaluation as multi-target enzyme inhibitors for Alzheimer's disease

  2025cites this paper
• Identifying a novel class of lead compounds for monoacylglycerol lipase inhibition: an integrated computational study.

  2025influential citation
• M. tuberculosis meets European Lead Factory – identification and structural characterization of novel Rv0183 inhibitors using X-ray crystallography

  2025cites this paper
• Discovery of reversible monoacylglycerol lipase (MAGL) inhibitors based on ortho-hydroxyanilide scaffold.

  2025cites this paper
• A Highly Selective and Versatile Probe Platform for Visualization of Monoacylglycerol Lipase

  2025cites this paper
• Methods for Assessing MAGL Enzymatic Activity: An Extensive Review of Past and Emerging Approaches

  2025cites this paper
• Tritium-Labeled Compounds in PET Tracer Discovery? A Case Study from Roche's Internal Monoacylglycerol Lipase Program.

  2025cites this paper
• Exploring Phytochemicals as Potential Inhibitors of Cancer Cell Metabolic Pathways: A Computational Study.

  2024cites this paper
• Input Pose is Key to Performance of Free Energy Perturbation: Benchmarking with Monoacylglycerol Lipase

  2024cites this paper
• Structure-Guided Discovery of cis-Hexahydro-pyrido-oxazinones as Reversible, Drug-like Monoacylglycerol Lipase Inhibitors.

  2024cites this paper
• Development of Potent and Selective Monoacylglycerol Lipase Inhibitors. SARs, Structural Analysis, and Biological Characterization.

  2024cites this paper
• Watermelon: setup and validation of an in silico fragment-based approach

  2024cites this paper
• Similar but Distinct—Biochemical Characterization of the  Staphylococcus aureus Serine Hydrolases FphH and FphI

  2024cites this paper
• A monoacylglycerol lipase inhibitor showing therapeutic efficacy in mice without central side effects or dependence

  2023cites this paper
• Design, synthesis, ADME and biological evaluation of benzylpiperidine and benzylpiperazine derivatives as novel reversible monoacylglycerol lipase (MAGL) inhibitors.

  2023cites this paper
• Synthesis and evaluation of dual fatty acid amide hydrolase-monoacylglycerol lipase inhibition and antinociceptive activities of 4-methylsulfonylaniline-derived semicarbazones.

  2022cites this paper
• Dipeptidyl Peptidase-IV Blockers Potently Inhibit Monoglyceride Lipase: Investigation By Docking Studies And In Vitro Bioassay

  2022cites this paper
• Insight into the Inhibitory Mechanism of Aryl Formyl Piperidine Derivatives on Monoacylglycerol Lipase through Molecular Dynamics Simulations

  2022cites this paper
• Reversible Monoacylglycerol Lipase Inhibitors: Discovery of a New Class of Benzylpiperidine Derivatives

  2022cites this paper
• A potent and selective inhibitor for the modulation of MAGL activity in the neurovasculature

  2022cites this paper
• A review on structurally diversified synthesized molecules as monoacylglycerol lipase inhibitors and their therapeutic uses.

  2022cites this paper
• Development of High Brain-Penetrant and Reversible Monoacylglycerol Lipase PET Tracers for Neuroimaging.

  2022cites this paper
• Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl Moiety.

  2021cites this paper
• Lipase - The fascinating dynamics of enzyme in seed storage and germination - A real challenge to pearl millet.

  2021cites this paper
• Development of a highly-specific 18F-labeled irreversible positron emission tomography tracer for monoacylglycerol lipase mapping

  2021cites this paper
• Analgesic and Anticancer Activity of Benzoxazole Clubbed 2-Pyrrolidinones as Novel Inhibitors of Monoacylglycerol Lipase

  2021cites this paper
• Structure and Dynamics of an Archeal Monoglyceride Lipase from Palaeococcus ferrophilus as Revealed by Crystallography and In Silico Analysis

  2021influential citation
• Anticancer Potential of Small‐Molecule Inhibitors of Fatty Acid Amide Hydrolase and Monoacylglycerol Lipase

  2021cites this paper
• Glycerol is Released from a New Path in MGL Lipase Catalytic Process

  2021cites this paper
• Discovery of 8-prenylnaringenin from hop (Humulus lupulus L.) as a potent monoacylglycerol lipase inhibitor for treatments of neuroinflammation and Alzheimer's disease

  2021cites this paper
• Interplay Between Endocannabinoid System and Neurodegeneration: Focus on Polypharmacology.

  2021cites this paper
• Structural Changes in the Cap of Rv0183/mtbMGL Modulate the Shape of the Binding Pocket

  2021cites this paper
• Pyrrolidin‐2‐one linked benzofused heterocycles as novel small molecule monoacylglycerol lipase inhibitors and antinociceptive agents

  2020cites this paper
• Therapeutic potential of targeting α/β-Hydrolase domain-containing 6 (ABHD6).

  2020cites this paper
• The discovery of azetidine-piperazine di-amides as potent, selective and reversible monoacylglycerol lipase (MAGL) inhibitors.

  2020cites this paper
• Identification of Anti-Mycobacterium and Anti-Legionella Compounds With Potential Distinctive Structural Scaffolds From an HD-PBL Using Phenotypic Screens in Amoebae Host Models

  2020cites this paper
• The discovery of diazetidinyl diamides as potent and reversible inhibitors of monoacylglycerol lipase (MAGL).

  2020cites this paper
• Regulating membrane lipid levels at the synapse by small-molecule inhibitors of monoacylglycerol lipase: new developments in therapeutic and PET imaging applications.

  2020cites this paper
• Conformational gating, dynamics and allostery in human monoacylglycerol lipase

  2020cites this paper
• Design, synthesis and biological evaluation of second-generation benzoylpiperidine derivatives as reversible monoacylglycerol lipase (MAGL) inhibitors.

  2020cites this paper
• Discovery of Aryl Formyl Piperidine Derivatives as Potent, Reversible, and Selective Monoacylglycerol Lipase Inhibitors.

  2020cites this paper
• Study on a Novel Cold-Active and Halotolerant Monoacylglycerol Lipase Widespread in Marine Bacteria Reveals a New Group of Bacterial Monoacylglycerol Lipases Containing Unusual C(A/S)HSMG Catalytic Motifs

  2020cites this paper
• Optimization of a Benzoylpiperidine Class Identifies a Highly Potent and Selective Reversible Monoacylglycerol Lipase (MAGL) Inhibitor.

  2019cites this paper
• Synthesis and evaluation of potent and selective MGL inhibitors as a glaucoma treatment.

  2019cites this paper
• The herbicide quinclorac as potent lipase inhibitor: Discovery via virtual screening and in vitro/in vivo validation

  2019cites this paper
• Computationally driven discovery of phenyl(piperazin-1-yl)methanone derivatives as reversible monoacylglycerol lipase (MAGL) inhibitors

  2019cites this paper
• Pharmacologic Characterization of JNJ-42226314, [1-(4-Fluorophenyl)indol-5-yl]-[3-[4-(thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone, a Reversible, Selective, and Potent Monoacylglycerol Lipase Inhibitor

  2019cites this paper
• Development of Thiazole-5-carboxylate Derivatives as Selective Inhibitors of Monoacylglycerol Lipase as Target in Cancer.

  2019cites this paper
• Inhibition of monoglyceride lipase by proton pump inhibitors: investigation using docking and in vitro experiments

  2019cites this paper
• Lipid-metabolizing serine hydrolases in the mammalian central nervous system: endocannabinoids and beyond.

  2019cites this paper
• ω-Quinazolinonylalkyl aryl ureas as reversible inhibitors of monoacylglycerol lipase.

  2019cites this paper
• Design, Synthesis and Evaluation of 18F-labeled Monoacylglycerol Lipase Inhibitors as Novel Positron Emission Tomography Probes.

  2019cites this paper
• Set-Up and Validation of a High Throughput Screening Method for Human Monoacylglycerol Lipase (MAGL) Based on a New Red Fluorescent Probe

  2019cites this paper
• Design, Synthesis, and Evaluation of Reversible and Irreversible Monoacylglycerol Lipase Positron Emission Tomography (PET) Tracers Using a "Tail Switching" Strategy on a Piperazinyl Azetidine Skeleton.

  2019cites this paper
• Monoacylglycerol lipase inhibitors: modulators for lipid metabolism in cancer malignancy, neurological and metabolic disorders

  2019influential citation
• Monoacylglycerol lipase (MAGL) as a promising therapeutic target.

  2018cites this paper
• In Vitro and in Vivo Evaluation of 11C-Labeled Azetidinecarboxylates for Imaging Monoacylglycerol Lipase by PET Imaging Studies.

  2018cites this paper
• A stereospecific carboxyl esterase from Bacillus coagulans hosting nonlipase activity within a lipase‐like fold

  2018cites this paper
• Identification of lipases with activity towards monoacylglycerol by criterion of conserved cap architectures.

  2018cites this paper
• Effects of Distal Mutations on the Structure, Dynamics and Catalysis of Human Monoacylglycerol Lipase

  2018cites this paper
• New Phenylethanoid Glycosides from Cistanche phelypaea and Their Activity as Inhibitors of Monoacylglycerol Lipase (MAGL)

  2018cites this paper
• Discovery of 1,5-Diphenylpyrazole-3-Carboxamide Derivatives as Potent, Reversible, and Selective Monoacylglycerol Lipase (MAGL) Inhibitors.

  2018cites this paper
• The crystal structure of monoacylglycerol lipase from M. tuberculosis reveals the basis for specific inhibition

  2018cites this paper
• Rational Development of MAGL Inhibitors.

  2018cites this paper
• Identification of ABX-1431, a Selective Inhibitor of Monoacylglycerol Lipase and Clinical Candidate for Treatment of Neurological Disorders.

  2018cites this paper
• Discovery of long-chain salicylketoxime derivatives as monoacylglycerol lipase (MAGL) inhibitors.

  2018cites this paper
• New diterpenes from Salvia pseudorosmarinus and their activity as inhibitors of monoacylglycerol lipase (MAGL).

  2018cites this paper
• Cloning and protein expression of the sn-1(3) regioselective lipase from Cordyceps militaris.

  2018cites this paper
• Design, Synthesis, and Evaluation of Piperazinyl Pyrrolidin-2-ones as a Novel Series of Reversible Monoacylglycerol Lipase Inhibitors.

  2018cites this paper
• Identification of novel anti-bacterial compounds from a chemically highly diverse pathways-based library using phenotypic screens in amoebae host models

  2018cites this paper
• ω‐Phthalimidoalkyl Aryl Ureas as Potent and Selective Inhibitors of Cholesterol Esterase

  2018cites this paper
• REGULATING HYDROLASES OF THE ENDOCANNABINOID SYSTEM: NOVEL PHOTOMETRIC ASSAYS FOR DRUG DISCOVERY

  2018influential citation
• Endocannabinoids: Molecular, Pharmacological, Behavioral and Clinical Features

  2018cites this paper
• The repeat structure of two paralogous genes, Yersinia ruckeri invasin (yrInv) and a "Y. ruckeri invasin-like molecule", (yrIlm) sheds light on the evolution of adhesive capacities of a fish pathogen.

  2017cites this paper
• The role of human monoacylglycerol lipase (hMAGL) binding pocket in breakup of unsaturated phospholipid membranes.

  2017cites this paper
• Lid domain plasticity and lipid flexibility modulate enzyme specificity in human monoacylglycerol lipase.

  2017cites this paper
• Crystal Structure of StnA for the Biosynthesis of Antitumor Drug Streptonigrin Reveals a Unique Substrate Binding Mode

  2017cites this paper
• Monoglyceride lipase as a drug target: At the crossroads of arachidonic acid metabolism and endocannabinoid signaling

  2017cites this paper
• Identification of lysophospholipase protein from Spiroplasma eriocheiris and verification of its function.

  2017cites this paper
• The Lid Domain in Lipases: Structural and Functional Determinant of Enzymatic Properties

  2017cites this paper
• A patent review of Monoacylglycerol Lipase (MAGL) inhibitors (2013-2017)

  2017cites this paper
• The characterization of the human monoacylglycerol lipase using mutagenesis, enzyme kinetics and NMR spectroscopy

  2017cites this paper
• Development and Pharmacological Characterization of Selective Blockers of 2-Arachidonoyl Glycerol Degradation with Efficacy in Rodent Models of Multiple Sclerosis and Pain.

  2016cites this paper
• Application of Molecular Modelling studies to the search of novel approaches for neuroprotection and stem cells applications

  2016cites this paper
• Structural Basis of Lipid Targeting and Destruction by the Type V Secretion System of Pseudomonas aeruginosa.

  2016cites this paper
• Understanding the activation mechanism of Thermomyces lanuginosus lipase using rational design and tryptophan‐induced fluorescence quenching

  2016cites this paper
• Title Development and Pharmacological Characterization of Selective Blockers of 2-Arachidonoyl Glycerol Degradation with Efficacy in Rodent Models of Multiple Sclerosis and Pain Permalink

  2016cites this paper
• Monoglyceride lipase: Structure and inhibitors.

  2016influential citation
• Structural Optimization of 4-Chlorobenzoylpiperidine Derivatives for the Development of Potent, Reversible, and Selective Monoacylglycerol Lipase (MAGL) Inhibitors.

  2016cites this paper
• Free-energy studies reveal a possible mechanism for oxidation-dependent inhibition of MGL

  2016cites this paper
• Hit to lead optimization of a series of N-[4-(1,3-benzothiazol-2-yl)phenyl]acetamides as monoacylglycerol lipase inhibitors with potential anticancer activity.

  2016cites this paper
• Crystal structure of the Saccharomyces cerevisiae monoglyceride lipase Yju3p.

  2016cites this paper
• Structure of a CGI-58 Motif Provides the Molecular Basis of Lipid Droplet Anchoring*

  2015cites this paper
• Purification, crystallization and preliminary X-ray diffraction analysis of a soluble variant of the monoglyceride lipase Yju3p from the yeast Saccharomyces cerevisiae

  2015cites this paper
• Loratadine analogues as MAGL inhibitors.

  2015cites this paper
• Peroxide-Dependent MGL Sulfenylation Regulates 2-AG-Mediated Endocannabinoid Signaling in Brain Neurons.

  2015cites this paper