1CWO
| HUMAN CYCLOPHILIN A COMPLEXED WITH THR2, LEU5, D-HIV8, LEU10 CYCLOSPORIN | Descriptor: | CYCLOSPORIN C, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1998-06-05 | Release date: | 1998-08-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Conformational Differences of an Immunosuppressant Peptolide in a Single Crystal and in a Crystal Complex with Human Cyclophilin A. J.Mol.Biol., 283, 1998
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1BCK
| HUMAN CYCLOPHILIN A COMPLEXED WITH 2-THR CYCLOSPORIN | Descriptor: | CYCLOSPORIN C, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1998-04-30 | Release date: | 1998-09-16 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A. J.Mol.Biol., 283, 1998
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1DYW
| Biochemical and structural characterization of a divergent loop cyclophilin from Caenorhabditis elegans | Descriptor: | CYCLOPHILIN 3 | Authors: | Dornan, J, Page, A.P, Taylor, P, Wu, S.Y, Winter, A.D, Husi, H, Walkinshaw, M.D. | Deposit date: | 2000-02-10 | Release date: | 2000-06-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biochemical and Structural Characterization of a Divergent Loop Cyclophilin from Caenorhabditis Elegans J.Biol.Chem., 274, 1999
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1E3B
| CYCLOPHILIN 3 FROM C.ELEGANS COMPLEXED WITH AUP(ET)3 | Descriptor: | CYCLOPHILIN 3, GOLD ION, TRIETHYLPHOSPHANE | Authors: | Zou, J, Taylor, P, Dornan, J, Robinson, S.P, Walkinshaw, M.D, Sadler, P.J. | Deposit date: | 2000-06-08 | Release date: | 2000-10-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | First Crystal Structure of a Medicinally Relevant Gold Protein Complex:Unexpected Binding of [Au(Pet (3))](+) to Histidine Angew.Chem.Int.Ed.Engl., 39, 2000
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2F7T
| Crystal structure of the catalytic domain of Mos1 mariner transposase | Descriptor: | MAGNESIUM ION, Mos1 transposase | Authors: | Richardson, J.M, Dawson, A, Taylor, P, Finnegan, D.J, Walkinshaw, M.D. | Deposit date: | 2005-12-01 | Release date: | 2006-03-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Mechanism of Mos1 transposition: insights from structural analysis Embo J., 25, 2006
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3POY
| Crystal Structure of the alpha-Neurexin-1 ectodomain, LNS 2-6 | Descriptor: | Neurexin-1-alpha, beta-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Miller, M.T, Mileni, M, Comoletti, D, Stevens, R.C, Harel, M, Taylor, P. | Deposit date: | 2010-11-23 | Release date: | 2011-06-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | The crystal structure of the alpha-neurexin-1 extracellular region reveals a hinge point for mediating synaptic adhesion and function. Structure, 19, 2011
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3ESQ
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3ESR
| Crystal Structure of D,D-heptose1.7-bisphosphate phosphatase from E. coli in complex with calcium and phosphate | Descriptor: | CALCIUM ION, D,D-heptose 1,7-bisphosphate phosphatase, PHOSPHATE ION, ... | Authors: | Sugiman-Marangos, S.N, Junop, M.S. | Deposit date: | 2008-10-06 | Release date: | 2008-10-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of D,D-heptose 1.7-bisphosphate phosphatase from E. Coli. To be Published
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3C79
| Crystal structure of Aplysia californica AChBP in complex with the neonicotinoid imidacloprid | Descriptor: | (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine, ISOPROPYL ALCOHOL, Soluble acetylcholine receptor | Authors: | Talley, T.T, Harel, M, Hibbs, R.E, Tomizawa, M, Casida, J.E, Taylor, P.W. | Deposit date: | 2008-02-06 | Release date: | 2008-05-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Atomic interactions of neonicotinoid agonists with AChBP: molecular recognition of the distinctive electronegative pharmacophore. Proc.Natl.Acad.Sci.Usa, 105, 2008
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4XK9
| Crystal structure of A-AChBP in complex with pinnatoxin G | Descriptor: | CHLORIDE ION, Pinnatoxin G, Soluble acetylcholine receptor | Authors: | Bourne, Y, Sulzenbacher, G, Marchot, P. | Deposit date: | 2015-01-10 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Marine Macrocyclic Imines, Pinnatoxins A and G: Structural Determinants and Functional Properties to Distinguish Neuronal alpha 7 from Muscle alpha 12 beta gamma delta nAChRs. Structure, 23, 2015
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4XHE
| Crystal Structure of A-AChBP in complex with pinnatoxin A | Descriptor: | CALCIUM ION, CHLORIDE ION, Pinnatoxin A, ... | Authors: | Bourne, Y, Sulzenbacher, G, Marchot, P. | Deposit date: | 2015-01-05 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Marine Macrocyclic Imines, Pinnatoxins A and G: Structural Determinants and Functional Properties to Distinguish Neuronal alpha 7 from Muscle alpha 12 beta gamma delta nAChRs. Structure, 23, 2015
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4TZI
| Structure of unliganded Lyn SH2 domain | Descriptor: | Tyrosine-protein kinase Lyn | Authors: | Wybenga-Groot, L.E. | Deposit date: | 2014-07-10 | Release date: | 2015-01-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Tyrosine Phosphorylation of the Lyn Src Homology 2 (SH2) Domain Modulates Its Binding Affinity and Specificity. Mol.Cell Proteomics, 14, 2015
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5EHN
| mAChE-syn TZ2PA5 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-phenyl-5-[5-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine, Acetylcholinesterase, ... | Authors: | Bourne, Y, Marchot, P. | Deposit date: | 2015-10-28 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase. J.Am.Chem.Soc., 138, 2016
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5EIH
| mAChE-TZ2/PA5 complex | Descriptor: | 5-hept-6-ynyl-6-phenyl-phenanthridin-5-ium-3,8-diamine, ACETATE ION, Acetylcholinesterase, ... | Authors: | Bourne, Y, Marchot, P. | Deposit date: | 2015-10-29 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase. J.Am.Chem.Soc., 138, 2016
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5EHZ
| mAChE-syn TZ2PA5 complex from an equimolar mixture of the syn/anti isomers | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-phenyl-5-[5-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine, Acetylcholinesterase, ... | Authors: | Bourne, Y, Marchot, P. | Deposit date: | 2015-10-29 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase. J.Am.Chem.Soc., 138, 2016
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5EIA
| mACHE-anti TZ2PA5 complex from a 1:6 mixture of the syn/anti isomers | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-phenyl-5-[5-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine, Acetylcholinesterase, ... | Authors: | Bourne, Y, Marchot, P. | Deposit date: | 2015-10-29 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase. J.Am.Chem.Soc., 138, 2016
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5EIE
| mAChE-TZ2 complex | Descriptor: | 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bourne, Y, Marchot, P. | Deposit date: | 2015-10-29 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase. J.Am.Chem.Soc., 138, 2016
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5EHQ
| mAChE-anti TZ2PA5 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 6-phenyl-5-[5-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine, ... | Authors: | Bourne, Y, Marchot, P. | Deposit date: | 2015-10-28 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase. J.Am.Chem.Soc., 138, 2016
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2ACE
| NATIVE ACETYLCHOLINESTERASE (E.C. 3.1.1.7) FROM TORPEDO CALIFORNICA | Descriptor: | ACETYLCHOLINE, ACETYLCHOLINESTERASE | Authors: | Harel, M, Raves, M.L, Silman, I, Sussman, J.L. | Deposit date: | 1996-06-23 | Release date: | 1996-11-08 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of acetylcholinesterase complexed with the nootropic alkaloid, (-)-huperzine A. Nat.Struct.Biol., 4, 1997
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8QTL
| Aplysia californica acetylcholine-binding protein in complex with Spiroimine (-)-4 S | Descriptor: | CHLORIDE ION, ISOPROPYL ALCOHOL, Soluble acetylcholine receptor, ... | Authors: | Sulzenbacher, G, Bourne, Y, Marchot, P. | Deposit date: | 2023-10-12 | Release date: | 2024-04-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Cyclic Imine Core Common to the Marine Macrocyclic Toxins Is Sufficient to Dictate Nicotinic Acetylcholine Receptor Antagonism. Mar Drugs, 22, 2024
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8QX2
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6O5V
| Binary complex of native hAChE with oxime reactivator RS-170B | Descriptor: | 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, GLYCEROL, ... | Authors: | Gerlits, O, Kovalevsky, A, Radic, Z. | Deposit date: | 2019-03-04 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.152 Å) | Cite: | Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase. J.Biol.Chem., 294, 2019
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6O66
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8Q1M
| Aplysia californica acetylcholine-binding protein in complex with Spiroimine (+)-4 R | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Soluble acetylcholine receptor, ... | Authors: | Sulzenbacher, G, Bourne, Y, Marchot, P. | Deposit date: | 2023-07-31 | Release date: | 2024-04-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Cyclic Imine Core Common to the Marine Macrocyclic Toxins Is Sufficient to Dictate Nicotinic Acetylcholine Receptor Antagonism. Mar Drugs, 22, 2024
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6O4W
| Binary complex of native hAChE with Donepezil | Descriptor: | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, Acetylcholinesterase, GLYCEROL, ... | Authors: | Gerlits, O, Kovalevsky, A, Radic, Z. | Deposit date: | 2019-03-01 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies. Chem.Biol.Interact., 309, 2019
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