6G17
| Non-aged form of Torpedo californica acetylcholinesterase inhibited by nerve agent tabun | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | Authors: | Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F. | Deposit date: | 2018-03-20 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. J. Med. Chem., 61, 2018
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6G4P
| Non-aged form of Torpedo californica acetylcholinesterase inhibited by tabun analog NEDPA bound to uncharged reactivator 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(~{Z})-hydroxyiminomethyl]pyridin-3-ol, Acetylcholinesterase, ... | Authors: | Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F. | Deposit date: | 2018-03-28 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. J. Med. Chem., 61, 2018
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4U4M
| Crystal structure of 0.5M urea unfolded YagE, a KDG aldolase protein in complex with Pyruvate | Descriptor: | 1,2-ETHANEDIOL, PYRUVIC ACID, UREA, ... | Authors: | Manoj Kumar, P, Bhaskar, V, Manicka, S, Krishnaswamy, S. | Deposit date: | 2014-07-24 | Release date: | 2015-07-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Crystal structure of 0.5M urea unfolded YagE, a KDG aldolase protein in complex with Pyruvate To be published
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1AB9
| CRYSTAL STRUCTURE OF BOVINE GAMMA-CHYMOTRYPSIN | Descriptor: | GAMMA-CHYMOTRYPSIN, PENTAPEPTIDE (TPGVY), SULFATE ION | Authors: | Sugio, S, Kashima, A, Inoue, Y, Maeda, I, Nose, T, Shimohigashi, Y. | Deposit date: | 1997-02-05 | Release date: | 1997-08-20 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray crystal structure of a dipeptide-chymotrypsin complex in an inhibitory interaction. Eur.J.Biochem., 255, 1998
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1AFQ
| CRYSTAL STRUCTURE OF BOVINE GAMMA-CHYMOTRYPSIN COMPLEXED WITH A SYNTHETIC INHIBITOR | Descriptor: | BOVINE GAMMA-CHYMOTRYPSIN, D-leucyl-N-(4-fluorobenzyl)-L-phenylalaninamide, SULFATE ION | Authors: | Sugio, S, Kashima, A, Inoue, Y, Maeda, I, Nose, T, Shimohigashi, Y. | Deposit date: | 1997-03-12 | Release date: | 1997-09-17 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystal structure of a dipeptide-chymotrypsin complex in an inhibitory interaction. Eur.J.Biochem., 255, 1998
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1APN
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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: | 2023-08-09 | 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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6EUC
| Reactivating oxime bound to Tc AChE's catalytic gorge. | Descriptor: | 2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | Authors: | de la Mora, E, Weik, M, Braiki, A, Mougeot, R, Jean, L, Renard, P.I. | Deposit date: | 2017-10-30 | Release date: | 2018-11-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.21998858 Å) | Cite: | Potent 3-Hydroxy-2-Pyridine Aldoxime Reactivators of Organophosphate-Inhibited Cholinesterases with Predicted Blood-Brain Barrier Penetration. Chemistry, 24, 2018
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6EWK
| T. californica AChE in complex with a 3-hydroxy-2-pyridine aldoxime. | Descriptor: | 2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | Authors: | de la Mora, E, Weik, M, Braiki, A, Mougeot, R, Jean, L, Renard, P.I. | Deposit date: | 2017-11-04 | Release date: | 2018-11-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Potent 3-Hydroxy-2-Pyridine Aldoxime Reactivators of Organophosphate-Inhibited Cholinesterases with Predicted Blood-Brain Barrier Penetration. Chemistry, 24, 2018
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1QIF
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1QIG
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1QIJ
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1QIK
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1QIO
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1QID
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1QII
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1QIH
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1QIE
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1QIM
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6GG1
| Structure of PROSS-edited human interleukin 24 | Descriptor: | Interleukin-24, NICKEL (II) ION, SULFATE ION | Authors: | Kolenko, P, Zahradnik, J, Kolarova, L, Schneider, B. | Deposit date: | 2018-05-02 | Release date: | 2019-05-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Flexible regions govern promiscuous binding of IL-24 to receptors IL-20R1 and IL-22R1. Febs J., 286, 2019
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1QTI
| Acetylcholinesterase (E.C.3.1.1.7) | Descriptor: | (-)-GALANTHAMINE, ACETYLCHOLINESTERASE | Authors: | Bartolucci, C, Perola, E, Pilger, C, Fels, G, Lamba, D. | Deposit date: | 1999-06-28 | Release date: | 1999-12-29 | Last modified: | 2021-06-02 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Three-dimensional structure of a complex of galanthamine (Nivalin) with acetylcholinesterase from Torpedo californica: implications for the design of new anti-Alzheimer drugs Proteins, 42, 2001
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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: | 2024-01-17 | 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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4JCO
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