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torca-ACHE

Torpedo californica (Tetronarce californica) (Pacific electric ray) (Torpedo californica) acetylcholinesterase

Comment

Acetylcholinesterase (ACHE\; EC 3.1.1.7) controls synaptic and neurohumoral cholinergic activity by hydrolyzing the neurotransmitter acetylcholine. ACHE function relies on precise regulation of its expression and localization. In particular, alternative splicing of the 3-prime region of ACHE results in ACHE isoforms with distinct C-terminal peptides that determine posttranslational maturation and oligomeric assembly || Alternate Cterminus: T or H peptide

Relationship

Family : ACHE

Block : C

Position in NCBI Life Tree : Torpedo californica

(Below N is a link to NCBI taxonomic web page and E link to ESTHER at designed phylum.)

> cellular organisms N E > Eukaryota N E > Opisthokonta N E > Metazoa N E > Eumetazoa N E > Bilateria N E > Deuterostomia N E > Chordata N E > Craniata N E > Vertebrata N E > Gnathostomata N E > Chondrichthyes N E > Elasmobranchii N E > Batoidea N E > Torpediniformes N E > Torpedinidae N E > Tetronarce N E > Tetronarce californica N E

Molecular evidence

No mutation

1AMN - Torpedo acetylcholinesterase complexed with transition state analog with m-(N,N,N-trimethyammonio)trifluoroacetophenone (TMTFA, NAF) 1ACJ - Torpedo acetylcholinesterase + tacrine 2ACK - Torpedo acetylcholinesterase + edrophonium 1ACL - Torpedo acetylcholinesterase + decamethonium 1FSS - Torpedo acetylcholinesterase + fasciculin2 1VOT - Torpedo acetylcholinesterase native + HuperzineA 2ACE - Torpedo acetylcholinesterase native + acetylcholine 1EVE - Torpedo acetylcholinesterase + Aricept (Donepezil E2020) 1OCE - Acetylcholinesterase + MF268 1AX9 - Torpedo acetylcholinesterase + edrophonium, (Laue Data) 2DFP - Acetylcholinesterase + DFP 1SOM - Torpedo acetylcholinesterase + soman 1VXO - Torpedo acetylcholinesterase + VX 1VXR - Torpedo acetylcholinesterase + VX 1QID - Torpedo acetylcholinesterase structural damage (timepointA) caused by intense synchrotron radiation 1QIE - Torpedo acetylcholinesterase structural damage (timepointB) caused by intense synchrotron radiation 1QIF - Torpedo acetylcholinesterase structural damage (timepointC) caused by intense synchrotron radiation 1QIG - Torpedo acetylcholinesterase structural damage (timepointD) caused by intense synchrotron radiation 1QIH - Torpedo acetylcholinesterase structural damage (timepointE) caused by intense synchrotron radiation 1QII - Torpedo acetylcholinesterase structural damage (timepointF) caused by intense synchrotron radiation 1QIJ - Torpedo acetylcholinesterase structural damage (timepointG) caused by intense synchrotron radiation 1QIK - Torpedo acetylcholinesterase structural damage (timepointH) caused by intense synchrotron radiation 1QIM - Torpedo acetylcholinesterase structural damage (timepointI) caused by intense synchrotron radiation 1CFJ - Torpedo acetylcholinesterase methylphosphonylated by reaction with O-isopropylmethylphosphonofluoridate (GB, Sarin) 1QTI - Acetylcholinesterase complexed with the alkaloid, (-)-Galanthamine 1DX6 - Acetylcholinesterase complexed with the alkaloid, (-)-Galanthamin at 2.3A resolution 1E3Q - Torpedo acetylcholinesterase complexed with BW284C51 1EA5 - Torpedo californica acetylcholinesterase at 1.8 A resolution 1E66 - Acetylcholinesterase complexed with (-)-Huprine X at 2.1A resolution 1HBJ - Torpedo californica AChE complexed with reversible inhibitor 4-Amino-5-fluoro-2-methyl-3-(3-trifluoroacetylbenzylthiomethyl)quinoline 1JJB - A neutral molecule in cation-binding site: Specific binding of PEG-SH to Acetylcholinesterase from Torpedo californica 1W4L - Complex of Torpedo acetylcholinesterase with bis-acting Galanthamine derivative 2BAG - 3D Structure of Torpedo californica acetylcholinesterase complexed with Ganstigmine 2C5F - Torpedo californica acetylcholinesterase in complex with a non hydrolysable substrate analogue, 4-oxo-N,N,N-trimethylammonium 1GQS - Acetylcholinesterase complexe with NAP 1W6R - Complex of Torpedo acetylcholinesterase With Galanthamine derivative 1W76 - Orthorhombic form of Torpedo californica acetylcholinesterase ( AChE) complexed with bis-acting galanthamine derivative 7AIT - Crystal structure of Torpedo Californica acetylcholinesterase in complex with 7-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)heptanamide compound 5c 7AIS - Crystal structure of Torpedo Californica acetylcholinesterase in complex with 6-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)hexanamide compound 5b 7AIU - Crystal structure of Torpedo Californica acetylcholinesterase in complex with 8-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)octanamide compound 5d 7AIV - Crystal structure of Torpedo Californica acetylcholinesterase in complex with 4-{[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]methyl}-N-(4-hydroxy-3-methoxybenzyl)benzamide compound 5f 7AIW - Crystal structure of Torpedo Californica acetylcholinesterase in complex with (E)-10-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)-6-decenamide compound 5g 7AIX - Crystal structure of Torpedo Californica acetylcholinesterase in complex with 2-{1-[4-(12-Amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl)butyl]-1H-1,2,3-triazol-4-yl}-N-[4-hydroxy-3-methoxybenzyl]acetamide compound 5i 7B38 - Torpedo californica acetylcholinesterase complexed with Mg+2 7B8E - Torpedo californica acetylcholinesterase complexed with Ca+2 7B2W - Torpedo californica acetylcholinesterase complexed with UO2 7AJ1 - WITHDRAWN trans-AzoTHA bound to T. californica acetylcholinesterase 7AJ3 - WITHDRAWN cis-AzoTHA bound to T. californica acetylcholinesterase 6TT0 - Crystal structure of Torpedo californica ACHE complexed with MC1420 6H12 - Crystal structure of Torpedo californica ACHE complexed to 1-(6-Oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)-3-(4-(((1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)methyl)pyridin-2-yl)urea 6H13 - Crystal structure of Torpedo californica ACHE complexed to1-(4-((Methyl((1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)methyl)amino)methyl)pyridin-2-yl)-3-(6-oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)urea 6H14 - Crystal structure of Torpedo californica ACHE complexed to 1-(6-oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)-3-(4-(1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)pyridin-2-yl)urea 6G17 - Non-aged form of Torpedo californica acetylcholinesterase inhibited by nerve agent tabun 6FQN - Carbamylated Torpedo californica acetylcholineterase bound to uncharged hybrid reactivator Tacrine-pyridinealdoxime-2 6G4P - Non-aged form of Torpedo californica acetylcholinesterase inhibited by tabun analog NEDPA bound to uncharged reactivator Tacrine-pyridinealdoxime-2 6G4O - Non-aged form of Torpedo californica acetylcholinesterase inhibited by tabun analog NEDPA bound to uncharged reactivator Tacrine-pyridinealdoxime-1 6G4N - Torpedo californica acetylcholinesterase bound to uncharged hybrid reactivator Tacrine-pyridinealdoxime-2 6G4M - Torpedo californica acetylcholinesterase bound to uncharged hybrid reactivator Tacrine-pyridinealdoxime-1 6G1W - Crystal structure of Torpedo Californica acetylcholinesterase in complex with 2-{1-[2-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1H-1,2,3-triazol-4-yl}-N-[4-(hydroxy)-3-methoxybenzyl]acetamide 6G1V - Crystal structure of Torpedo Californica acetylcholinesterase in complex with 12-Amino-3-chloro-6,7,10,11-tetrahydro-5,9-dimethyl-7,11-methanocycloocta[b]quinolin-5-ium 6G1U - Crystal structure of Torpedo Californica acetylcholinesterase in complex with 9-Amino-6-chloro-1,2,3,4-tetrahydro-10-methylacridin-10-ium 6FLD - Carbamylated Torpedo californica acetylcholineterase bound to uncharged hybrid reactivator Tacrine-pyridinealdoxime-1 6EWK - Torpedo californica AChE in complex with a 3-hydroxy-2-pyridine aldoxime 6EUC - Reactivating oxime bound to Torpedo californica AChE's catalytic gorge. 6EUE - Rivastigmine analogue bound to Torpedo californica AChE 6EZG - Torpedo californica acetylcholinesterase in complex with MR33112 6EZH - Torpedo californica acetylcholinesterase in complex with indolic multi-target directed ligand MR28926 5NUU - Torpedo californica acetylcholinesterase in complex with a chlorotacrine-tryptophan hybrid inhibitor 5NAP - Torpedo californica acetylcholinesterase in complex with a non-chiral donepezil-like inhibitor 17 5NAU - Torpedo californica acetylcholinesterase in complex with a non-chiral donepezil-like inhibitor 20 5IH7 - Acetylcholinesterase of Torpedo californica in complex with the N-methyl-indoxylacetate hydrolysis products 5EHX - Crystal structure of MSF-aged Torpedo californica Acetylcholinesterase 5EI5 - Crystal structure of MSF-aged Torpedo californica Acetylcholinesterase in complex with alkylene-linked bis-tacrine dimer (7 carbon linker) 5BWB - Acetylcholinesterase (E.C. 3.1.1.7) from Torpedo californica in complex with the bis-imidazolium oxime 2BIM-7 5BWC - Acetylcholinesterase (E.C. 3.1.1.7) from Torpedo californica in complex with the bis-pyridinium oxime Ortho-7 4X3C - Torpedo californica Acetylcholinesterase in complex with a tacrine-nicotinamide hybrid inhibitor 4W63 - Torpedo californica Acetylcholinesterase in complex with a tacrine-benzofuran hybrid inhibitor 4TVK - Torpedo californica Acetylcholinesterase in complex with a chlorotacrine-juglone hybrid inhibitor 3ZV7 - Torpedo californica Acetylcholinesterase Inhibition by Bisnorcymserine. Crystal Structure of the Complex with its Leaving Group 2XI4 - Torpedo californica Acetylcholinesterase in Complex with Aflatoxin B1 (Orthorhombic Form) 3M3D - Crystal structure of Acetylcholinesterase in complex with Xenon 3I6M - 3D Structure of Torpedo californica acetylcholinesterase complexed with N-piperidinopropylgalanthamine 3I6Z - 3D Structure of Torpedo californica acetylcholinesterase complexed with N-saccharinohexylgalanthamine 2WFZ - Non-aged conjugate of Torpedo californica acetylcholinesterase with soman 2WG0 - Aged conjugate of Torpedo californica acetylcholinesterase with soman (obtained by crystallo aging) 2WG1 - Ternary complex of aged conjugate of Torpedo californica acetylcholinesterase with soman and 2-PAM 2WG2 - Non-aged conjugate of Torpedo californica acetylcholinesterase with soman (alternative refinement) 3GEL - O-methylphosphorylated torpedo acetylcholinesterase obtained by reaction with methyl-parathion (aged) 2W6C - AChE in complex with a bis-(-)-nor-meptazinol derivative 5E4J - Acetycholinesterase Decamethonium no PEG 5E4T - Acetycholinesterase Methylen Blue with PEG (replaces 2W9I) 5DLP - Acetycholinesterase Methylen Blue no PEG 5E2I - Acetycholinesterase Decamethonium with PEG 2VT6 - Native Torpedo californica acetylcholinesterase collected with a cumulated dose of 9400000 Gy 2VT7 - Native Torpedo californica acetylcholinesterase collected with a cumulated dose of 800000 Gy 2VQ6 - Torpedo californica acetylcholinesterase complexed with 2-PAM (2VQ6 replaced 2VB4 18-Sep-2007) 2VJA - Torpedo Californica Acetylcholinesterase In Complex With A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic space group - Dataset A at 100K 2VJB - Torpedo Californica Acetylcholinesterase In Complex With A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic space group - Dataset D at 100K 2VJC - Torpedo Californica Acetylcholinesterase In Complex With A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic space group - Dataset A at 150K 2VJD - Torpedo Californica Acetylcholinesterase In Complex With A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic space group - Dataset C at 100K 2VA9 - Structure of native TcAChE after a 9 seconds annealing to room temperature during the first 5 seconds of which laser irradiation at 266nm took place 2V96 - Structure of the unphotolysed complex of TcAChE with 1-(2- nitrophenyl)-2,2,2-trifluoroethyl-arsenocholine at 100K 2V97 - Structure of the unphotolysed complex of TcAChE with 1-(2- nitrophenyl)-2,2,2-trifluoroethyl-arsenocholine after a 9 seconds annealing to room temperature 2V98 - Structure of the complex of TcAChE with 1-(2-nitrophenyl)-2,2,2- trifluoroethyl-arsenocholine after a 9 seconds annealing to room temperature, during the first 5 seconds of which laser irradiation at 266nm took place 2J4F - Torpedo acetylcholinesterase - Hg heavy-atom derivative 2J3D - Native monoclinic form of Torpedo acetylcholinesterase 2J3Q - Torpedo acetylcholinesterase complexed with fluorophore thioflavin T 2CMF - Torpedo californica acetylcholinesterase complexed with alkylene- linked bis-tacrine dimer (5 carbon linker) 2CKM - Torpedo californica acetylcholinesterase complexed with alkylene- linked bis-tacrine dimer (7 carbon linker) 2CEK - Conformational Flexibility in the Peripheral Site of Torpedo californica Acetylcholinesterase Revealed by the Complex Structure with a Bifunctional Inhibitor 2C4H - Torpedo californica acetylcholinesterase in complex with 500mM acetylthiocholine 2C58 - Torpedo californica acetylcholinesterase in complex with 20mM acetylthiocholine 2C5G - Torpedo californica acetylcholinesterase in complex with 20mM thiocholine 1GPK - Acetylcholinesterase complexed with (+)-Huperzine A at 2.1 A resolution 1GPN - Acetylcholinesterase complexed with Huperzine B at 2.35 A resolution 1GQR - Acetylcholinesterase complexe with rivastigmine 1H22 - Acetylcholinesterase complexed with (S,S)-(-)-Bis(10)-Hupyridone at 2.15 A resolution 1H23 - Acetylcholinesterase complexed with (S,S)-(-)-Bis(12)-Hupyridone at 2.15 A resolution 1ODC - Acetylcholinesterase complexed with N-4'-quinolyl-N'-9-(1,2,3,4-tetrahydroacridinyl)-1,8-diaminooctane at 2.2A resolution 1U65 - Torpedo acetylcholinesterase complex of the anticancer prodrug CPT-11 Irinotecan 1UT6 - Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with N-9-(1',2',3',4'-Tetrahydroacridinyl)-1,8-diaminooctane at 2.4 angstroms resolution 1VZJ - Structure of the tetramerization domain of acetylcholinesterase: four-fold interaction of a WWW motif with a left-handed polyproline helix 1W75 - Native Orthorhombic form of Torpedo californica acetylcholinesterase ( AChE) 1ZGB - Torpedo Californica Acetylcholinesterase in Complex With an (R)-Tacrine(10)-Hupyridone Inhibitor. 1ZGC - Torpedo Californica Acetylcholinesterase in Complex With an (R,S)-Tacrine(10)-Hupyridone Inhibitor.

No disease

Database

Sequence

Peptide

DDHSELLVNT KSGKVMGTRV PVLSSHISAF LGIPFAEPPV GNMRFRRPEP KKPWSGVWNA STYPNNCQQY VDEQFPGFSG SEMWNPNREM SEDCLYLNIW VPSPRPKSTT VMVWIYGGGF YSGSSTLDVY NGKYLAYTEE VVLVSLSYRV GAFGFLALHG SQEAPGNVGL LDQRMALQWV HDNIQFFGGD PKTVTIFGES AGGASVGMHI LSPGSRDLFR RAILQSGSPN CPWASVSVAE GRRRAVELGR NLNCNLNSDE ELIHCLREKK PQELIDVEWN VLPFDSIFRF SFVPVIDGEF FPTSLESMLN SGNFKKTQIL LGVNKDEGSF FLLYGAPGFS KDSESKISRE DFMSGVKLSV PHANDLGLDA VTLQYTDWMD DNNGIKNRDG LDDIVGDHNV ICPLMHFVNK YTKFGNGTYL YFFNHRASNL VWPEWMGVIH GYEIEFVFGL PLVKELNYTA EEEALSRRIM HYWATFAKTG NPNEPHSQES KWPLFTTKEQ KFIDLNTEPM KVHQRLRVQM CVFWNQFLPK LLNATETIDE AERQWKTEFH RWSSYMMHWK NQFDHYSRHE SCAEL

References (54)

Title : Torpedo californica acetylcholinesterase is stabilized by binding of a divalent metal ion to a novel and versatile 4D motif - Silman_2021_Protein.Sci_30_966
Author(s) : Silman I , Shnyrov VL , Ashani Y , Roth E , Nicolas A , Sussman JL , Weiner L
Ref : Protein Science , 30 :966 , 2021
PubMedID: 33686648
Gene_locus related to this paper: torca-ACHE

Title : Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease - Chalupova_2019_Eur.J.Med.Chem_168_491
Author(s) : Chalupova K , Korabecny J , Bartolini M , Monti B , Lamba D , Caliandro R , Pesaresi A , Brazzolotto X , Gastellier AJ , Nachon F , Pejchal J , Jarosova M , Hepnarova V , Jun D , Hrabinova M , Dolezal R , Karasova JZ , Mzik M , Kristofikova Z , Misik J , Muckova L , Jost P , Soukup O , Benkova M , Setnicka V , Habartova L , Chvojkova M , Kleteckova L , Vales K , Mezeiova E , Uliassi E , Valis M , Nepovimova E , Bolognesi ML , Kuca K
Ref : Eur Journal of Medicinal Chemistry , 168 :491 , 2019
PubMedID: 30851693
Gene_locus related to this paper: torca-ACHE

Title : Novel multitarget-directed ligands targeting acetylcholinesterase and sigma1 receptors as lead compounds for treatment of Alzheimer's disease: Synthesis, evaluation, and structural characterization of their complexes with acetylcholinesterase - Lalut_2019_Eur.J.Med.Chem_162_234
Author(s) : Lalut J , Santoni G , Karila D , Lecoutey C , Davis A , Nachon F , Silman I , Sussman JL , Weik M , Maurice T , Dallemagne P , Rochais C
Ref : Eur Journal of Medicinal Chemistry , 162 :234 , 2019
PubMedID: 30447434
Gene_locus related to this paper: torca-ACHE

Title : Design, biological evaluation and X-ray crystallography of nanomolar multifunctional ligands targeting simultaneously acetylcholinesterase and glycogen synthase kinase-3 - Oukoloff_2019_Eur.J.Med.Chem_168_58
Author(s) : Oukoloff K , Coquelle N , Bartolini M , Naldi M , Le Guevel R , Bach S , Josselin B , Ruchaud S , Catto M , Pisani L , Denora N , Iacobazzi RM , Silman I , Sussman JL , Buron F , Colletier JP , Jean L , Routier S , Renard PY
Ref : Eur Journal of Medicinal Chemistry , 168 :58 , 2019
PubMedID: 30798053
Gene_locus related to this paper: torca-ACHE

Title : Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model. - Dighe_2019_Commun.Chem_2_35
Author(s) : Dighe SN , De la Mora E , Chan S , Kantham S , McColl G , Miles JA , Veliyath SK , Sreenivas BY , Nassar ZD , Silman I , Sussman JL , Weik M , McGeary RP , Parat MO , Brazzolotto X , Ross BP
Ref : Communications chemistry , 2 :35 , 2019
PubMedID:
Gene_locus related to this paper: human-BCHE , torca-ACHE

Title : Increasing Polarity in Tacrine and Huprine Derivatives: Potent Anticholinesterase Agents for the Treatment of Myasthenia Gravis - Galdeano_2018_Molecules_23_
Author(s) : Galdeano C , Coquelle N , Cieslikiewicz-Bouet M , Bartolini M , Perez B , Clos MV , Silman I , Jean L , Colletier JP , Renard PY , Munoz-Torrero D
Ref : Molecules , 23 : , 2018
PubMedID: 29534488
Gene_locus related to this paper: torca-ACHE

Title : Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents - Santoni_2018_J.Med.Chem_61_7630
Author(s) : Santoni G , de Sousa J , De la Mora E , Dias J , Jean L , Sussman JL , Silman I , Renard PY , Brown RCD , Weik M , Baati R , Nachon F
Ref : Journal of Medicinal Chemistry , 61 :7630 , 2018
PubMedID: 30125110
Gene_locus related to this paper: torca-ACHE

Title : Potent 3-Hydroxy-2-Pyridine Aldoxime Reactivators of Organophosphate-Inhibited Cholinesterases with Predicted Blood-Brain Barrier Penetration - Zorbaz_2018_Chemistry_24_9675
Author(s) : Zorbaz T , Braiki A , Marakovic N , Renou J , De la Mora E , Macek Hrvat N , Katalinic M , Silman I , Sussman JL , Mercey G , Gomez C , Mougeot R , Perez B , Baati R , Nachon F , Weik M , Jean L , Kovarik Z , Renard PY
Ref : Chemistry , 24 :9675 , 2018
PubMedID: 29672968
Gene_locus related to this paper: torca-ACHE

Title : Kinetic and structural studies on the interactions of Torpedo californica acetylcholinesterase with two donepezil-like rigid analogues - Caliandro_2018_J.Enzyme.Inhib.Med.Chem_33_794
Author(s) : Caliandro R , Pesaresi A , Cariati L , Procopio A , Oliverio M , Lamba D
Ref : J Enzyme Inhib Med Chem , 33 :794 , 2018
PubMedID: 29651884
Gene_locus related to this paper: torca-ACHE

Title : The Impact of Crystallization Conditions on Structure-Based Drug Design: A Case Study on the Methylene Blue\/Acetylcholinesterase Complex - Dym_2016_Protein.Sci_25_1096
Author(s) : Dym O , Song W , Felder CE , Roth E , Shnyrov V , Ashani Y , Xu Y , Joosten RP , Weiner L , Sussman JL , Silman I
Ref : Protein Science , 25 :1096 , 2016
PubMedID: 26990888
Gene_locus related to this paper: torca-ACHE

Title : Novel Tacrine-Benzofuran Hybrids as Potent Multitarget-Directed Ligands for the Treatment of Alzheimer's Disease: Design, Synthesis, Biological Evaluation, and X-ray Crystallography - Zha_2016_J.Med.Chem_59_114
Author(s) : Zha X , Lamba D , Zhang L , Lou Y , Xu C , Kang D , Chen L , Xu Y , De Simone A , Samez S , Pesaresi A , Stojan J , Lopez MG , Egea J , Andrisano V , Bartolini M
Ref : Journal of Medicinal Chemistry , 59 :114 , 2016
PubMedID: 26632651
Gene_locus related to this paper: torca-ACHE

Title : A conformational change in the peripheral anionic site of Torpedo californica acetylcholinesterase induced by a bis-imidazolium oxime - Legler_2015_Acta.Crystallogr.D.Biol.Crystallogr_71_1788
Author(s) : Legler PM , Soojhawon I , Millard CB
Ref : Acta Crystallographica D Biol Crystallogr , 71 :1788 , 2015
PubMedID: 26327369
Gene_locus related to this paper: torca-ACHE

Title : Multitarget Drug Design Strategy: Quinone-Tacrine Hybrids Designed To Block Amyloid-beta Aggregation and To Exert Anticholinesterase and Antioxidant Effects - Nepovimova_2014_J.Med.Chem_57_8576
Author(s) : Nepovimova E , Uliassi E , Korabecny J , Pena-Altamira LE , Samez S , Pesaresi A , Garcia GE , Bartolini M , Andrisano V , Bergamini C , Fato R , Lamba D , Roberti M , Kuca K , Monti B , Bolognesi ML
Ref : Journal of Medicinal Chemistry , 57 :8576 , 2014
PubMedID: 25259726
Gene_locus related to this paper: torca-ACHE

Title : Structural and functional characterization of the interaction of the photosensitizing probe methylene blue with Torpedo californica acetylcholinesterase - Paz_2012_Protein.Sci_21_1138
Author(s) : Paz A , Roth E , Ashani Y , Xu Y , Shnyrov VL , Sussman JL , Silman I , Weiner L
Ref : Protein Science , 21 :1138 , 2012
PubMedID: 22674800
Gene_locus related to this paper: torca-ACHE

Title : Backdoor opening mechanism in acetylcholinesterase based on X-ray crystallography and molecular dynamics simulations - Sanson_2011_Protein.Sci_20_1114
Author(s) : Sanson B , Colletier JP , Xu Y , Lang PT , Jiang H , Silman I , Sussman JL , Weik M
Ref : Protein Science , 20 :1114 , 2011
PubMedID: 21594947
Gene_locus related to this paper: torca-ACHE

Title : Probing Torpedo californica acetylcholinesterase catalytic gorge with two novel bis-functional galanthamine derivatives - Bartolucci_2010_J.Med.Chem_53_745
Author(s) : Bartolucci C , Haller LA , Jordis U , Fels G , Lamba D
Ref : Journal of Medicinal Chemistry , 53 :745 , 2010
PubMedID: 20025280
Gene_locus related to this paper: torca-ACHE

Title : Crystallographic snapshots of nonaged and aged conjugates of soman with acetylcholinesterase, and of a ternary complex of the aged conjugate with pralidoxime - Sanson_2009_J.Med.Chem_52_7593
Author(s) : Sanson B , Nachon F , Colletier JP , Froment MT , Toker L , Greenblatt HM , Sussman JL , Ashani Y , Masson P , Silman I , Weik M
Ref : Journal of Medicinal Chemistry , 52 :7593 , 2009
PubMedID: 19642642
Gene_locus related to this paper: torca-ACHE

Title : The crystal structure of a complex of acetylcholinesterase with a bis-(-)-nor-meptazinol derivative reveals disruption of the catalytic triad - Paz_2009_J.Med.Chem_52_2543
Author(s) : Paz A , Xie Q , Greenblatt HM , Fu W , Tang Y , Silman I , Qiu Z , Sussman JL
Ref : Journal of Medicinal Chemistry , 52 :2543 , 2009
PubMedID: 19326912
Gene_locus related to this paper: torca-ACHE

Title : Shoot-and-Trap: use of specific x-ray damage to study structural protein dynamics by temperature-controlled cryo-crystallography - Colletier_2008_Proc.Natl.Acad.Sci.U.S.A_105_11742
Author(s) : Colletier JP , Bourgeois D , Sanson B , Fournier D , Sussman JL , Silman I , Weik M
Ref : Proc Natl Acad Sci U S A , 105 :11742 , 2008
PubMedID: 18701720
Gene_locus related to this paper: torca-ACHE

Title : Crystal structure of thioflavin T bound to the peripheral site of Torpedo californica acetylcholinesterase reveals how thioflavin T acts as a sensitive fluorescent reporter of ligand binding to the acylation site - Harel_2008_J.Am.Chem.Soc_130_7856
Author(s) : Harel M , Sonoda LK , Silman I , Sussman JL , Rosenberry TL
Ref : Journal of the American Chemical Society , 130 :7856 , 2008
PubMedID: 18512913
Gene_locus related to this paper: torca-ACHE

Title : Use of a 'caged' analogue to study the traffic of choline within acetylcholinesterase by kinetic crystallography - Colletier_2007_Acta.Crystallogr.D.Biol.Crystallogr_63_1115
Author(s) : Colletier JP , Royant A , Specht A , Sanson B , Nachon F , Masson P , Zaccai G , Sussman JL , Goeldner M , Silman I , Bourgeois D , Weik M
Ref : Acta Crystallographica D Biol Crystallogr , 63 :1115 , 2007
PubMedID: 18007027
Gene_locus related to this paper: torca-ACHE

Title : Conformational flexibility in the peripheral site of Torpedo californica acetylcholinesterase revealed by the complex structure with a bifunctional inhibitor - Colletier_2006_J.Am.Chem.Soc_128_4526
Author(s) : Colletier JP , Sanson B , Nachon F , Gabellieri E , Fattorusso C , Campiani G , Weik M
Ref : Journal of the American Chemical Society , 128 :4526 , 2006
PubMedID: 16594661
Gene_locus related to this paper: torca-ACHE

Title : Structural insights into substrate traffic and inhibition in acetylcholinesterase - Colletier_2006_EMBO.J_25_2746
Author(s) : Colletier JP , Fournier D , Greenblatt HM , Stojan J , Sussman JL , Zaccai G , Silman I , Weik M
Ref : EMBO Journal , 25 :2746 , 2006
PubMedID: 16763558
Gene_locus related to this paper: torca-ACHE

Title : Structural determinants of Torpedo californica acetylcholinesterase inhibition by the novel and orally active carbamate based anti-alzheimer drug ganstigmine (CHF-2819) - Bartolucci_2006_J.Med.Chem_49_5051
Author(s) : Bartolucci C , Siotto M , Ghidini E , Amari G , Bolzoni PT , Racchi M , Villetti G , Delcanale M , Lamba D
Ref : Journal of Medicinal Chemistry , 49 :5051 , 2006
PubMedID: 16913695
Gene_locus related to this paper: torca-ACHE

Title : Complexes of alkylene-linked tacrine dimers with Torpedo californica acetylcholinesterase: Binding of Bis5-tacrine produces a dramatic rearrangement in the active-site gorge - Rydberg_2006_J.Med.Chem_49_5491
Author(s) : Rydberg EH , Brumshtein B , Greenblatt HM , Wong DM , Shaya D , Williams LD , Carlier PR , Pang YP , Silman I , Sussman JL
Ref : Journal of Medicinal Chemistry , 49 :5491 , 2006
PubMedID: 16942022
Gene_locus related to this paper: torca-ACHE

Title : The 3D structure of the anticancer prodrug CPT-11 with Torpedo californica acetylcholinesterase rationalizes its inhibitory action on AChE and its hydrolysis by butyrylcholinesterase and carboxylesterase - Harel_2005_Chem.Biol.Interact_157-158_153
Author(s) : Harel M , Hyatt JL , Brumshtein B , Morton CL , Wadkins RM , Silman I , Sussman JL , Potter PM
Ref : Chemico-Biological Interactions , 157-158 :153 , 2005
PubMedID: 16289500
Gene_locus related to this paper: torca-ACHE

Title : The crystal structure of the complex of the anticancer prodrug 7-ethyl-10-[4-(1-piperidino)-1-piperidino]-carbonyloxycamptothecin (CPT-11) with Torpedo californica acetylcholinesterase provides a molecular explanation for its cholinergic action - Harel_2005_Mol.Pharmacol_67_1874
Author(s) : Harel M , Hyatt JL , Brumshtein B , Morton CL , Yoon KJ , Wadkins RM , Silman I , Sussman JL , Potter PM
Ref : Molecular Pharmacology , 67 :1874 , 2005
PubMedID: 15772291
Gene_locus related to this paper: torca-ACHE

Title : Crystal packing mediates enantioselective ligand recognition at the peripheral site of acetylcholinesterase - Haviv_2005_J.Am.Chem.Soc_127_11029
Author(s) : Haviv H , Wong DM , Greenblatt HM , Carlier PR , Pang YP , Silman I , Sussman JL
Ref : Journal of the American Chemical Society , 127 :11029 , 2005
PubMedID: 16076210
Gene_locus related to this paper: torca-ACHE

Title : The synaptic acetylcholinesterase tetramer assembles around a polyproline II helix - Dvir_2004_EMBO.J_23_4394
Author(s) : Dvir H , Harel M , Bon S , Liu WQ , Vidal M , Garbay C , Sussman JL , Massoulie J , Silman I
Ref : EMBO Journal , 23 :4394 , 2004
PubMedID: 15526038
Gene_locus related to this paper: torca-ACHE

Title : The complex of a bivalent derivative of galanthamine with torpedo acetylcholinesterase displays drastic deformation of the active-site gorge: implications for structure-based drug design - Greenblatt_2004_J.Am.Chem.Soc_126_15405
Author(s) : Greenblatt HM , Guillou C , Guenard D , Argaman A , Botti SA , Badet B , Thal C , Silman I , Sussman JL
Ref : Journal of the American Chemical Society , 126 :15405 , 2004
PubMedID: 15563167
Gene_locus related to this paper: torca-ACHE

Title : Acetylcholinesterase Complexed with Bivalent Ligands Related to Huperzine A: Experimental Evidence for Species-Dependent Protein-Ligand Complementarity - Wong_2003_J.Am.Chem.Soc_125_363
Author(s) : Wong DM , Greenblatt HM , Dvir H , Carlier PR , Han YF , Pang YP , Silman I , Sussman JL
Ref : J Am Chem Soc , 125 :363 , 2003
PubMedID: 12517147
Gene_locus related to this paper: torca-ACHE

Title : Kinetic and structural studies on the interaction of cholinesterases with the anti-Alzheimer drug rivastigmine - Bar-On_2002_Biochemistry_41_3555
Author(s) : Bar-On P , Millard CB , Harel M , Dvir H , Enz A , Sussman JL , Silman I
Ref : Biochemistry , 41 :3555 , 2002
PubMedID: 11888271
Gene_locus related to this paper: torca-ACHE

Title : 3D structure of Torpedo californica acetylcholinesterase complexed with huprine X at 2.1 A resolution: kinetic and molecular dynamic correlates - Dvir_2002_Biochemistry_41_2970
Author(s) : Dvir H , Wong DM , Harel M , Barril X , Orozco M , Luque FJ , Munoz-Torrero D , Camps P , Rosenberry TL , Silman I , Sussman JL
Ref : Biochemistry , 41 :2970 , 2002
PubMedID: 11863435
Gene_locus related to this paper: torca-ACHE

Title : X-ray Structures of Torpedo californica Acetylcholinesterase Complexed with (+)-Huperzine A and (-)-Huperzine B: Structural Evidence for an Active Site Rearrangement - Dvir_2002_Biochemistry_41_10810
Author(s) : Dvir H , Jiang H , Wong DM , Harel M , Chetrit M , He XC , Jin GY , Yu GL , Tang XC , Silman I , Bai DL , Sussman JL
Ref : Biochemistry , 41 :10810 , 2002
PubMedID: 12196020
Gene_locus related to this paper: torca-ACHE

Title : Structure of a complex of the potent and specific inhibitor BW284C51 with Torpedo californica acetylcholinesterase - Felder_2002_Acta.Crystallogr.D.Biol.Crystallogr_58_1765
Author(s) : Felder CE , Harel M , Silman I , Sussman JL
Ref : Acta Crystallographica D Biol Crystallogr , 58 :1765 , 2002
PubMedID: 12351819
Gene_locus related to this paper: torca-ACHE

Title : A neutral molecule in a cation-binding site: specific binding of a PEG-SH to acetylcholinesterase from Torpedo californica - Koellner_2002_J.Mol.Biol_320_721
Author(s) : Koellner G , Steiner T , Millard CB , Silman I , Sussman JL
Ref : Journal of Molecular Biology , 320 :721 , 2002
PubMedID: 12095250
Gene_locus related to this paper: torca-ACHE

Title : A structure-based design approach to the development of novel, reversible AChE inhibitors - Doucet-Personeni_2001_J.Med.Chem_44_3203
Author(s) : Doucet-Personeni C , Bentley PD , Fletcher RJ , Kinkaid A , Kryger G , Pirard B , Taylor A , Taylor R , Taylor J , Viner R , Silman I , Sussman JL , Greenblatt HM , Lewis T
Ref : Journal of Medicinal Chemistry , 44 :3203 , 2001
PubMedID: 11563919
Gene_locus related to this paper: torca-ACHE

Title : Three-dimensional structure of a complex of galanthamine (Nivalin) with acetylcholinesterase from Torpedo californica: implications for the design of new anti-Alzheimer drugs - Bartolucci_2001_Proteins_42_182
Author(s) : Bartolucci C , Perola E , Pilger C , Fels G , Lamba D
Ref : Proteins , 42 :182 , 2001
PubMedID: 11119642
Gene_locus related to this paper: torca-ACHE

Title : Specific chemical and structural damage to proteins produced by synchrotron radiation - Weik_2000_Proc.Natl.Acad.Sci.U.S.A_97_623
Author(s) : Weik M , Ravelli RB , Kryger G , McSweeney S , Raves ML , Harel M , Gros P , Silman I , Kroon J , Sussman JL
Ref : Proceedings of the National Academy of Sciences of the United States of America , 97 :623 , 2000
PubMedID: 10639129
Gene_locus related to this paper: torca-ACHE

Title : Back Door Opening Implied by the Crystal Structure of a Carbamoylated Acetylcholinesterase - Bartolucci_1999_Biochemistry_38_5714
Author(s) : Bartolucci C , Perola E , Cellai L , Brufani M , Lamba D
Ref : Biochemistry , 38 :5714 , 1999
PubMedID: 10231521
Gene_locus related to this paper: torca-ACHE

Title : Structure of acetylcholinesterase complexed with (-)-galanthamine at 2.3 A resolution - Greenblatt_1999_FEBS.Lett_463_321
Author(s) : Greenblatt HM , Kryger G , Lewis T , Silman I , Sussman JL
Ref : FEBS Letters , 463 :321 , 1999
PubMedID: 10606746
Gene_locus related to this paper: torca-ACHE

Title : Structure of acetylcholinesterase complexed with E2020 (Aricept): implications for the design of new anti-Alzheimer drugs - Kryger_1999_Structure_7_297
Author(s) : Kryger G , Silman I , Sussman JL
Ref : Structure , 7 :297 , 1999
PubMedID: 10368299
Gene_locus related to this paper: torca-ACHE

Title : Crystal structures of aged phosphonylated acetylcholinesterase: nerve agent reaction products at the atomic level - Millard_1999_Biochemistry_38_7032
Author(s) : Millard CB , Kryger G , Ordentlich A , Greenblatt HM , Harel M , Raves ML , Segall Y , Barak D , Shafferman A , Silman I , Sussman JL
Ref : Biochemistry , 38 :7032 , 1999
PubMedID: 10353814
Gene_locus related to this paper: torca-ACHE

Title : Reaction Products of Acetylcholinesterase and Vx Reveal a Mobile Histidine in the Catalytic Triad - Millard_1999_J.Am.Chem.Soc_121_9883
Author(s) : Millard CB , Koellner G , Ordentlich A , Shafferman A , Silman I , Sussman JL
Ref : Journal of the American Chemical Society , 121 :9883 , 1999
PubMedID:
Gene_locus related to this paper: torca-ACHE

Title : A preliminary comparison of structural models for catalytic intermediates of acetylcholinesterase - Silman_1999_Chem.Biol.Interact_119-120_43
Author(s) : Silman I , Millard CB , Ordentlich A , Greenblatt HM , Harel M , Barak D , Shafferman A , Sussman JL
Ref : Chemico-Biological Interactions , 119-120 :43 , 1999
PubMedID: 10421437
Gene_locus related to this paper: torca-ACHE

Title : Crystal structure of Aged phosphorylated and phosphonylated Torpedo Californica Acetylcholinesterase -
Author(s) : Millard CB , Kryger G , Ordentlich A , Harel M , Raves ML , Greenblatt HM , Segall Y , Barak D , Shafferman A , Silman I , Sussman JL
Ref : In Structure and Function of Cholinesterases and Related Proteins - Proceedings of Sixth International Meeting on Cholinesterases , (Doctor, B.P., Taylor, P., Quinn, D.M., Rotundo, R.L., Gentry, M.K. Eds) Plenum Publishing Corp. :425 , 1998
PubMedID:
Gene_locus related to this paper: torca-ACHE

Title : Static laue diffraction studies on acetylcholinesterase - Ravelli_1998_Acta.Crystallogr.D.Biol.Crystallogr_54_1359
Author(s) : Ravelli RB , Raves ML , Ren Z , Bourgeois D , Roth M , Kroon J , Silman I , Sussman JL
Ref : Acta Crystallographica D Biol Crystallogr , 54 :1359 , 1998
PubMedID: 10089512
Gene_locus related to this paper: torca-ACHE

Title : Structure of acetylcholinesterase complexed with the nootropic alkaloid, (-)-huperzine A - Raves_1997_Nat.Struct.Biol_4_57
Author(s) : Raves ML , Harel M , Pang YP , Silman I , Kozikowski AP , Sussman JL
Ref : Nat Struct Biol , 4 :57 , 1997
PubMedID: 8989325
Gene_locus related to this paper: torca-ACHE

Title : The X-ray structure of a transition state analog complex reveals the molecular origins of the catalytic power and substrate specificity of acetylcholinesterase. -
Author(s) : Harel M , Quinn DM , Nair HK , Silman I , Sussman JL
Ref : Journal of the American Chemical Society , 118 :2340 , 1996
PubMedID:
Gene_locus related to this paper: torca-ACHE

Title : Crystal structure of an acetylcholinesterase-fasciculin complex: interaction of a three-fingered toxin from snake venom with its target - Harel_1995_Structure_3_1355
Author(s) : Harel M , Kleywegt GJ , Ravelli RB , Silman I , Sussman JL
Ref : Structure , 3 :1355 , 1995
PubMedID: 8747462
Gene_locus related to this paper: torca-ACHE

Title : A metastable state of Torpedo californica acetylcholinesterase generated by modification with organomercurials - Kreimer_1994_Biochemistry_33_14407
Author(s) : Kreimer DI , Dolginova EA , Raves ML , Sussman JL , Silman I , Weiner L
Ref : Biochemistry , 33 :14407 , 1994
PubMedID: 7981200
Gene_locus related to this paper: torca-ACHE

Title : Quaternary ligand binding to aromatic residues in the active-site gorge of acetylcholinesterase - Harel_1993_Proc.Natl.Acad.Sci.U.S.A_90_9031
Author(s) : Harel M , Schalk I , Ehret-Sabatier L , Bouet F , Goeldner M , Hirth C , Axelsen PH , Silman I , Sussman JL
Ref : Proceedings of the National Academy of Sciences of the United States of America , 90 :9031 , 1993
PubMedID: 8415649
Gene_locus related to this paper: torca-ACHE

Title : Atomic structure of acetylcholinesterase from Torpedo californica: a prototypic acetylcholine-binding protein - Sussman_1991_Science_253_872
Author(s) : Sussman JL , Harel M , Frolow F , Oefner C , Goldman A , Toker L , Silman I
Ref : Science , 253 :872 , 1991
PubMedID: 1678899
Gene_locus related to this paper: torca-ACHE

Title : Primary structure of Torpedo californica acetylcholinesterase deduced from its cDNA sequence - Schumacher_1986_Nature_319_407
Author(s) : Schumacher M , Camp S , Maulet Y , Newton M , MacPhee-Quigley K , Taylor SS , Friedmann T , Taylor P
Ref : Nature , 319 :407 , 1986
PubMedID: 3753747
Gene_locus related to this paper: torca-ACHE