8P7V
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![BU of 8p7v by Molmil](/molmil-images/mine/8p7v) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | Descriptor: | 1,2-ETHANEDIOL, 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, ... | Authors: | Dym, O, Aggawal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | Deposit date: | 2023-05-31 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.737 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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8P7U
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![BU of 8p7u by Molmil](/molmil-images/mine/8p7u) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | Descriptor: | 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ... | Authors: | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | Deposit date: | 2023-05-31 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.38 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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8P7Q
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![BU of 8p7q by Molmil](/molmil-images/mine/8p7q) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | Descriptor: | 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ... | 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: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.77 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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8P7T
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![BU of 8p7t by Molmil](/molmil-images/mine/8p7t) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | Descriptor: | 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ... | Authors: | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | Deposit date: | 2023-05-31 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 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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8P7R
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![BU of 8p7r by Molmil](/molmil-images/mine/8p7r) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | Descriptor: | 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ... | 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: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 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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8P7M
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![BU of 8p7m by Molmil](/molmil-images/mine/8p7m) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | Descriptor: | FORMIC ACID, GLYCEROL, METHYLPHOSPHONIC ACID ESTER GROUP, ... | 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: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 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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8P7H
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![BU of 8p7h by Molmil](/molmil-images/mine/8p7h) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | Descriptor: | 1,2-ETHANEDIOL, 2-methylidene-1,3-dioxane-4,4-diol, FORMIC ACID, ... | 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: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.774 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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8P7F
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![BU of 8p7f by Molmil](/molmil-images/mine/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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3Q2D
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![BU of 3q2d by Molmil](/molmil-images/mine/3q2d) | Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution | Descriptor: | 5-nitro-1H-benzotriazole, Deoxyribose phosphate aldolase | Authors: | Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Murphy, P, Dym, O, Albeck, S, Kiss, G, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2010-12-20 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution J.Mol.Biol., 407, 2011
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3HQJ
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![BU of 3hqj by Molmil](/molmil-images/mine/3hqj) | Structure-function analysis of Mycobacterium tuberculosis acyl carrier protein synthase (AcpS). | Descriptor: | COENZYME A, Holo-[acyl-carrier-protein] synthase, MAGNESIUM ION | Authors: | Dym, O, Albeck, S, Peleg, Y, Schwarz, A, Shakked, Z, Burstein, Y, Zimhony, O, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2009-06-07 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-function analysis of the acyl carrier protein synthase (AcpS) from Mycobacterium tuberculosis. J.Mol.Biol., 393, 2009
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6FHE
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![BU of 6fhe by Molmil](/molmil-images/mine/6fhe) | Highly active enzymes by automated modular backbone assembly and sequence design | Descriptor: | Synthetic construct | Authors: | Lapidot, G, Khersonsky, O, Lipsh, R, Dym, O, Albeck, S, Rogotner, S, Fleishman, J.S. | Deposit date: | 2018-01-14 | Release date: | 2018-07-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Highly active enzymes by automated combinatorial backbone assembly and sequence design. Nat Commun, 9, 2018
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6FFW
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![BU of 6ffw by Molmil](/molmil-images/mine/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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6FHF
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![BU of 6fhf by Molmil](/molmil-images/mine/6fhf) | Highly active enzymes by automated modular backbone assembly and sequence design | Descriptor: | Design, SODIUM ION | Authors: | Lapidot, G, Khersonsky, O, Lipsh, R, Dym, O, Albeck, S, Rogotner, S, Fleishman, J.S. | Deposit date: | 2018-01-14 | Release date: | 2018-07-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Highly active enzymes by automated combinatorial backbone assembly and sequence design. Nat Commun, 9, 2018
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6FQE
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![BU of 6fqe by Molmil](/molmil-images/mine/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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6G1J
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![BU of 6g1j by Molmil](/molmil-images/mine/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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6FWE
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![BU of 6fwe by Molmil](/molmil-images/mine/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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6GC2
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![BU of 6gc2 by Molmil](/molmil-images/mine/6gc2) | AbLIFT: Antibody stability and affinity optimization by computational design of the variable light-heavy chain interface | Descriptor: | Heavy chain, Light Chain | Authors: | Warszawski, S, Katz, A, Khmelnitsky, L, Ben Nissan, G, Javitt, G, Dym, O, Unger, T, Knop, O, Diskin, R, Albeck, S, Fass, D, Sharon, M, Fleishman, S.J. | Deposit date: | 2018-04-17 | Release date: | 2019-05-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Optimizing antibody affinity and stability by the automated design of the variable light-heavy chain interfaces. Plos Comput.Biol., 15, 2019
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6FRZ
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![BU of 6frz by Molmil](/molmil-images/mine/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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6G3M
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![BU of 6g3m by Molmil](/molmil-images/mine/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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6FU6
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![BU of 6fu6 by Molmil](/molmil-images/mine/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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6ERE
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![BU of 6ere by Molmil](/molmil-images/mine/6ere) | Crystal structure of a computationally designed colicin endonuclease and immunity pair colEdes3/Imdes3 | Descriptor: | Immunity, PHOSPHATE ION, colicin | Authors: | Netzer, R, Listov, D, Dym, O, Albeck, S, Knop, O, Fleishman, S.J. | Deposit date: | 2017-10-18 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Ultrahigh specificity in a network of computationally designed protein-interaction pairs. Nat Commun, 9, 2018
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6ER6
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![BU of 6er6 by Molmil](/molmil-images/mine/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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4OE7
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![BU of 4oe7 by Molmil](/molmil-images/mine/4oe7) | Crystal structure of YagE, a KDG aldolase protein, in complex with aldol condensed product of pyruvate and glyoxal | Descriptor: | (4R)-4-hydroxy-2,5-dioxopentanoic acid, (4S)-4-hydroxy-2,5-dioxopentanoic acid, 1,2-ETHANEDIOL, ... | Authors: | Manoj Kumar, P, Baskar, V, Manicka, S, Krishnaswamy, S. | Deposit date: | 2014-01-12 | Release date: | 2014-12-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystal structure of YagE, a KDG aldolase protein, in complex with aldol condensed product of pyruvate and glyoxal To be Published
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4ONV
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![BU of 4onv by Molmil](/molmil-images/mine/4onv) | Crystal structure of YagE, a KDG aldolase protein in complex with 2-Keto-3-deoxy gluconate | Descriptor: | 1,2-ETHANEDIOL, 2-KETO-3-DEOXYGLUCONATE, GLYCEROL, ... | Authors: | Manoj Kumar, P, Bhaskar, V, Manicka, S, Krishnaswamy, S. | Deposit date: | 2014-01-29 | Release date: | 2015-01-14 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Crystal structure of YagE, a KDG aldolase protein in complex with 2-Keto-3-deoxy gluconate To be Published
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4U4M
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![BU of 4u4m by Molmil](/molmil-images/mine/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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