8P7F
| The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | Descriptor: | Parathion hydrolase, ZINC ION | Authors: | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | Deposit date: | 2023-05-30 | Release date: | 2023-11-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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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: | 2024-01-10 | 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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3GKL
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3GJN
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3KIH
| The crystal structures of two fragments truncated from 5-bladed beta-propeller lectin, tachylectin-2 (Lib2-D2-15) | Descriptor: | 2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, 5-bladed beta-propeller lectin | Authors: | Dym, O, Tawfik, D.S, Yadid, I, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2009-11-02 | Release date: | 2010-04-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Metamorphic proteins mediate evolutionary transitions of structure Proc.Natl.Acad.Sci.USA, 107, 2010
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4PQE
| Crystal Structure of Human Acetylcholinesterase | Descriptor: | Acetylcholinesterase | Authors: | Dym, O, Unger, T, Toker, L, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2014-03-02 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of Human Acetylcholinesterase To be Published
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6FBJ
| monoclonal antibody targeting Matrix metalloproteinase 7 | Descriptor: | Heavy Chain, Light chain | Authors: | Dym, O. | Deposit date: | 2017-12-19 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel monoclonal antibody targeting Matrix metalloproteinase 7 shows therapeutic potential against pancreatic cancer To Be Published
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6FQE
| Phosphotriesterase PTE_A53_4 | Descriptor: | (4~{S},6~{R})-2,2,6-trimethyl-1,3-dioxan-4-ol, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | Deposit date: | 2018-02-14 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Phosphotriesterase
PTE_A53_4 To Be Published
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6FS3
| Phosphotriesterase PTE_A53_1 | Descriptor: | (2~{S})-2-methylpentanedioic acid, FORMIC ACID, Parathion hydrolase, ... | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | Deposit date: | 2018-02-19 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structures of Bacterail Phosphotriesterase variant with high catalytic activity towards organophosphate nerve agents developed by use of structure-based design and molecular evolution To Be Published
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6FFW
| Phosphotriesterase PTE_A53_5 | Descriptor: | (4~{S},6~{R})-2,2,6-trimethyl-1,3-dioxan-4-ol, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | Deposit date: | 2018-01-09 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.495 Å) | Cite: | Phosphotriesterase
PTE_A53_5 To Be Published
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6G1J
| Phosphotriesterase PTE_C23M_1 | Descriptor: | 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ... | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | Deposit date: | 2018-03-21 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Phosphotriesterase
PTE_C23M_1 To Be Published
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6FRZ
| Phosphotriesterase PTE_A53_7 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-methylcyclohexane-1,1,3,3-tetrol, DI(HYDROXYETHYL)ETHER, ... | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | Deposit date: | 2018-02-18 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Phosphotriesterase
PTE_A53_7 To Be Published
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6FWE
| Phosphotriesterase PTE_C23_6 | Descriptor: | 1-[methoxy(methyl)phosphoryl]oxyethane, 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, ... | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | Deposit date: | 2018-03-06 | Release date: | 2019-03-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.774 Å) | Cite: | Phosphotriesterase
PTE_C23_6 To Be Published
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6FU6
| Phosphotriesterase PTE_C23_2 | Descriptor: | FORMIC ACID, POLYACRYLIC ACID, Parathion hydrolase, ... | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | Deposit date: | 2018-02-26 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Phosphotriesterase
PTE_A53_4 To Be Published
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6G3M
| Phosphotriesterase PTE_C23M_4 | Descriptor: | 1-ethyl-1-methyl-cyclohexane, CHLORIDE ION, FORMIC ACID, ... | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | Deposit date: | 2018-03-26 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.665 Å) | Cite: | Phosphotriesterase
PTE_C23M_4 To Be Published
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7O4D
| QR2 inhibitor from a novel sulfanamide series to tackle age related oxidative stress and cognitive decline | Descriptor: | 8-methyl-2-(4-methyl-3-piperazin-1-ylsulfonyl-phenyl)imidazo[1,2-a]pyridine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Gould, N.L, Scherer, G.R, Carvalh, S, Shurrush, K, Edry, E, Elkobi, A, David, O, Dym, O, Albeck, S, Peleg, Y, Germain, N, Babaev, I, Sharir, H, Lefker, B, Subramanyam, C, Barr, H, Rosenblum, K. | Deposit date: | 2021-04-06 | Release date: | 2022-08-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.249 Å) | Cite: | Specific quinone reductase 2 inhibitors reduce metabolic burden and reverse Alzheimer's disease phenotype in mice. J.Clin.Invest., 133, 2023
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6ER6
| Crystal structure of a computationally designed colicin endonuclease and immunity pair colEdes7/Imdes7 | Descriptor: | Endonuclease colEdes7, immunity Imdes7 | Authors: | Netzer, R, Listov, D, Dym, O, Albeck, S, Knop, O, Fleishman, S.J. | Deposit date: | 2017-10-17 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Ultrahigh specificity in a network of computationally designed protein-interaction pairs. Nat Commun, 9, 2018
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1XXM
| The modular architecture of protein-protein binding site | Descriptor: | Beta-lactamase TEM, Beta-lactamase inhibitory protein, CALCIUM ION | Authors: | Reichmann, D, Rahat, O, Albeck, S, Meged, R, Dym, O, Schreiber, G, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2004-11-07 | Release date: | 2005-01-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The modular architecture of protein-protein binding interfaces Proc.Natl.Acad.Sci.USA, 102, 2005
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3UTZ
| Endogenous-like inhibitory antibodies targeting activated metalloproteinase motifs show therapeutic potential | Descriptor: | Metalloproteinase, heavy chain, light chain, ... | Authors: | Sela-Passwell, N, Kikkeri, R, Dym, O, Rozenberg, H, Margalit, R, Arad-Yellin, R, Eisenstein, M, Brenner, O, Shoham, T, Danon, T, Shanzer, A, Sagi, I, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-11-27 | Release date: | 2011-12-14 | Last modified: | 2017-03-15 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Antibodies targeting the catalytic zinc complex of activated matrix metalloproteinases show therapeutic potential. NAT.MED. (N.Y.), 18, 2012
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3UYC
| Designed protein KE59 R8_2/7A | Descriptor: | Kemp eliminase KE59 R8_2/7A, PHOSPHATE ION | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-12-06 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59. Proc.Natl.Acad.Sci.USA, 109, 2012
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8A9Q
| Computational design of stable mammalian serum albumins for bacterial expression | Descriptor: | Albumin, LAURIC ACID, MYRISTIC ACID, ... | Authors: | Khersonsky, O, Dym, O, Fleishman, J.S. | Deposit date: | 2022-06-29 | Release date: | 2023-05-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Stable Mammalian Serum Albumins Designed for Bacterial Expression. J.Mol.Biol., 435, 2023
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4FL0
| Crystal structure of ALD1 from Arabidopsis thaliana | Descriptor: | Aminotransferase ALD1, PYRIDOXAL-5'-PHOSPHATE | Authors: | Sobolev, V, Edelman, M, Dym, O, Unger, T, Albeck, S, Kirma, M, Galili, G, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2012-06-14 | Release date: | 2013-02-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of ALD1, a plant-specific homologue of the universal diaminopimelate aminotransferase enzyme of lysine biosynthesis. Acta Crystallogr.,Sect.F, 69, 2013
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