6H14
 
 | | Crystal structure of TcACHE 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 | | Descriptor: | 1,2-ETHANEDIOL, 1-[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]-3-[4-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pyridin-2-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Coquelle, N, Colletier, J.P. | | Deposit date: | 2018-07-10 | | Release date: | 2019-05-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Design, biological evaluation and X-ray crystallography of nanomolar multifunctional ligands targeting simultaneously acetylcholinesterase and glycogen synthase kinase-3.
Eur.J.Med.Chem., 168, 2019
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6H13
 | | Crystal structure of TcACHE 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 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | | Authors: | Coquelle, N, Colletier, J.P. | | Deposit date: | 2018-07-10 | | Release date: | 2019-05-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Design, biological evaluation and X-ray crystallography of nanomolar multifunctional ligands targeting simultaneously acetylcholinesterase and glycogen synthase kinase-3.
Eur.J.Med.Chem., 168, 2019
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6H12
 | | Crystal structure of TcACHE 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 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{R})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Coquelle, N, Colletier, J.P. | | Deposit date: | 2018-07-10 | | Release date: | 2019-05-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design, biological evaluation and X-ray crystallography of nanomolar multifunctional ligands targeting simultaneously acetylcholinesterase and glycogen synthase kinase-3.
Eur.J.Med.Chem., 168, 2019
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4HHQ
 | | Serum paraoxonase-1 by directed evolution with the H115Q and H134Q mutations | | Descriptor: | BROMIDE ION, CALCIUM ION, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Moshe, B.-D, Grzegorz, W, Mikael, E, Israel, S, Joel, L.S, Dan, S.T. | | Deposit date: | 2012-10-10 | | Release date: | 2013-03-27 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Catalytic metal ion rearrangements underline promiscuity and evolvability of a metalloenzyme.
J.Mol.Biol., 425, 2013
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4HHO
 | | Serum paraoxonase-1 by directed evolution with the H115W mutation | | Descriptor: | BROMIDE ION, CALCIUM ION, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Moshe, B.-D, Grzegorz, W, Mikael, E, Israel, S, Joel, L.S, Dan, S.T. | | Deposit date: | 2012-10-10 | | Release date: | 2013-03-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Catalytic metal ion rearrangements underline promiscuity and evolvability of a metalloenzyme.
J.Mol.Biol., 425, 2013
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3LS7
 | | Crystal structure of Thermolysin in complex with Xenon | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Behnen, J, Klebe, G, Heine, A, Brumshtein, B. | | Deposit date: | 2010-02-12 | | Release date: | 2011-02-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Old acquantance rediscovered, use of xenon/protein complexes as a generic tool for SAD phasing of in house data
To be Published
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3VGC
 | | GAMMA-CHYMOTRYPSIN L-NAPHTHYL-1-ACETAMIDO BORONIC ACID ACID INHIBITOR COMPLEX | | Descriptor: | GAMMA CHYMOTRYPSIN, L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID, SULFATE ION | | Authors: | Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F. | | Deposit date: | 1997-05-01 | | Release date: | 1997-11-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
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3LZY
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5DLP
 | | Acetylcholinesterase Methylene Blue no PEG | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM, Acetylcholinesterase, ... | | Authors: | Dym, O. | | Deposit date: | 2015-09-07 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex.
Protein Sci., 25, 2016
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5E4J
 | | Acetylcholinesterase Methylene Blue no PEG | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, DECAMETHONIUM ION, ... | | Authors: | Dym, O. | | Deposit date: | 2015-10-06 | | Release date: | 2016-03-30 | | Last modified: | 2021-05-12 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex.
Protein Sci., 25, 2016
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5E4T
 | | Acetylcholinesterase Methylene Blue with PEG | | Descriptor: | 1,2-ETHANEDIOL, 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM, Acetylcholinesterase, ... | | Authors: | Dym, O. | | Deposit date: | 2015-10-07 | | Release date: | 2016-03-30 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex.
Protein Sci., 25, 2016
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5E2I
 | | Acetylcholinesterase Methylene Blue no PEG | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, DECAMETHONIUM ION, ... | | Authors: | Dym, O. | | Deposit date: | 2015-10-01 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex.
Protein Sci., 25, 2016
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2J5R
 | | 2.25 A resolution structure of the wild type malate dehydrogenase from Haloarcula marismortui after second radiation burn (radiation damage series) | | Descriptor: | CHLORIDE ION, MALATE DEHYDROGENASE | | Authors: | Fioravanti, E, Vellieux, F.M.D, Amara, P, Madern, D, Weik, M. | | Deposit date: | 2006-09-19 | | Release date: | 2006-09-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Specific Radiation Damage to Acidic Residues and its Relation to Their Chemical and Structural Environment.
J.Synchrotron Radiat., 14, 2007
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2J5Q
 | | 2.15 A resolution structure of the wild type malate dehydrogenase from Haloarcula marismortui after first radiation burn (radiation damage series) | | Descriptor: | CHLORIDE ION, MALATE DEHYDROGENASE | | Authors: | Fioravanti, E, Vellieux, F.M.D, Amara, P, Madern, D, Weik, M. | | Deposit date: | 2006-09-19 | | Release date: | 2006-09-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Specific Radiation Damage to Acidic Residues and its Relation to Their Chemical and Structural Environment.
J.Synchrotron Radiat., 14, 2007
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2J5K
 | | 2.0 A resolution structure of the wild type malate dehydrogenase from Haloarcula marismortui (radiation damage series) | | Descriptor: | CHLORIDE ION, MALATE DEHYDROGENASE | | Authors: | Fioravanti, E, Vellieux, F.M.D, Amara, P, Madern, D, Weik, M. | | Deposit date: | 2006-09-18 | | Release date: | 2006-09-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Specific Radiation Damage to Acidic Residues and its Relation to Their Chemical and Structural Environment.
J.Synchrotron Radiat., 14, 2007
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4PTN
 | | Crystal Structure of YagE, a KDG aldolase protein in complex with Magnesium cation coordinated L-glyceraldehyde | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, L-glyceraldehyde, ... | | Authors: | Manoj Kumar, P, Baskar, V, Manicka, S, Krishnaswamy, S. | | Deposit date: | 2014-03-11 | | Release date: | 2014-12-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Crystal structure of YagE, a putative DHDPS-like protein from Escherichia coli K12.
Proteins, 71, 2008
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2HLP
 | | CRYSTAL STRUCTURE OF THE E267R MUTANT OF A HALOPHILIC MALATE DEHYDROGENASE IN THE APO FORM | | Descriptor: | CHLORIDE ION, MALATE DEHYDROGENASE, SODIUM ION | | Authors: | Richard, S.B, Madern, D, Garcin, E, Zaccai, G. | | Deposit date: | 1999-04-23 | | Release date: | 2000-02-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Halophilic adaptation: novel solvent protein interactions observed in the 2.9 and 2.6 A resolution structures of the wild type and a mutant of malate dehydrogenase from Haloarcula marismortui.
Biochemistry, 39, 2000
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4JCO
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1OCE
 | | ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH MF268 | | Descriptor: | ACETYLCHOLINESTERASE, CIS-2,6-DIMETHYLMORPHOLINOOCTYLCARBAMYLESEROLINE | | Authors: | Bartolucci, C, Perola, E, Cellai, L, Brufani, M, Lamba, D. | | Deposit date: | 1998-06-12 | | Release date: | 1999-05-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | "Back door" opening implied by the crystal structure of a carbamoylated acetylcholinesterase.
Biochemistry, 38, 1999
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1QIG
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1QIF
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1QIJ
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1QIK
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1QIO
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1QII
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