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PDB: 172 results

8P7K
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BU of 8p7k by Molmil
The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes
Descriptor: (2~{R})-2-methylpentanedioic acid, FORMIC ACID, Parathion hydrolase, ...
Authors:Dym, O, Aggawal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L.
Deposit date:2023-05-30
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.929 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
2XJ3
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High resolution structure of the T55C mutant of CylR2.
Descriptor: CYLR2 SYNONYM CYTOLYSIN REPRESSOR 2, GLYCEROL
Authors:Gruene, T, Cho, M.K, Karyagina, I, Kim, H.Y, Grosse, C, Giller, K, Zweckstetter, M, Becker, S.
Deposit date:2010-07-02
Release date:2011-02-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Integrated Analysis of the Conformation of a Protein-Linked Spin Label by Crystallography, Epr and NMR Spectroscopy.
J.Biomol.NMR, 49, 2011
3UY8
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Designed protein KE59 R5_11/5F
Descriptor: Kemp eliminase KE59 R5_11/5F, SULFATE 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 (2.41 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
8P7V
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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
8P7N
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BU of 8p7n by Molmil
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, 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:2023-10-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 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
8P7R
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BU of 8p7r by Molmil
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
8P7S
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BU of 8p7s by Molmil
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, 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 (1.77 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
8P7T
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BU of 8p7t by Molmil
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
8P7U
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BU of 8p7u by Molmil
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
8P7M
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BU of 8p7m by Molmil
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
8P7H
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BU of 8p7h by Molmil
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
8P7F
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BU of 8p7f by Molmil
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
2V8Z
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BU of 2v8z by Molmil
Crystal Structure of YagE, a prophage protein belonging to the dihydrodipicolinic acid synthase family from E. coli K12
Descriptor: YAGE
Authors:Manicka, S, Peleg, Y, Unger, T, Albeck, S, Dym, O, Greenblatt, H.M, Bourenkov, G, Lamzin, V, Krishnaswamy, S, Sussman, J.L.
Deposit date:2007-08-16
Release date:2008-03-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Yage, a Putative Dhdps Like Protein from Escherichia Coli K12.
Proteins: Struct., Funct., Bioinf., 71, 2008
3UXA
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BU of 3uxa by Molmil
Designed protein KE59 R1 7/10H
Descriptor: Kemp eliminase KE59 R1 7/10H, 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:2011-12-05
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 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
3UZ5
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BU of 3uz5 by Molmil
Designed protein KE59 R13 3/11H
Descriptor: 5,7-dichloro-1H-benzotriazole, Kemp eliminase KE59 R13 3/11H, 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:2011-12-07
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 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
3UZJ
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BU of 3uzj by Molmil
Designed protein KE59 R13 3/11H with benzotriazole
Descriptor: 1H-benzotriazole, Kemp eliminase KE59 R13 3/11H, 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:2011-12-07
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.69 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
2KOX
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BU of 2kox by Molmil
NMR residual dipolar couplings identify long range correlated motions in the backbone of the protein ubiquitin
Descriptor: Ubiquitin
Authors:Fenwick, R.B, Richter, B, Lee, D, Walter, K.F.A, Milovanovic, D, Becker, S, Lakomek, N.A, Griesinger, C, Salvatella, X.
Deposit date:2009-10-02
Release date:2011-06-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Weak Long-Range Correlated Motions in a Surface Patch of Ubiquitin Involved in Molecular Recognition
J.Am.Chem.Soc., 2011
2GZU
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BU of 2gzu by Molmil
High-resolution structure determination of the CylR2 homodimer using intermonomer distances from paramagnetic relaxation enhancement and NMR dipolar couplings
Descriptor: cytolysin regulator 2
Authors:Rumpel, S, Becker, S, Zweckstetter, M.
Deposit date:2006-05-12
Release date:2007-04-24
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:High-resolution structure determination of the CylR2 homodimer using paramagnetic relaxation enhancement and structure-based prediction of molecular alignment
J.Biomol.Nmr, 40, 2008
6FQE
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BU of 6fqe by Molmil
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
2MY2
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BU of 2my2 by Molmil
Snu17p-Bud13p structure intermediate during RES complex assembly
Descriptor: Pre-mRNA-splicing factor CWC26, U2 snRNP component IST3
Authors:Wysoczanski, P, Becker, S, Zweckstetter, M.
Deposit date:2015-01-19
Release date:2015-08-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structures of intermediates during RES complex assembly.
Sci Rep, 5, 2015
2J6D
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BU of 2j6d by Molmil
CONKUNITZIN-S2 - CONE SNAIL NEUROTOXIN - DENOVO STRUCTURE
Descriptor: CONKUNITZIN-S2
Authors:Korukottu, J, Bayrhuber, M, Montaville, P, Vijayan, V, Jung, Y.-S, Becker, S, Zweckstetter, M.
Deposit date:2006-09-27
Release date:2007-01-16
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:Fast High-Resolution Protein Structure Determination by Using Unassigned NMR Data.
Angew.Chem.Int.Ed.Engl., 46, 2007
2MY3
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BU of 2my3 by Molmil
Snu17p-Pml1p structure intermediate during RES complex assembly
Descriptor: Pre-mRNA leakage protein 1, U2 snRNP component IST3
Authors:Wysoczanski, P, Becker, S, Zweckstetter, M.
Deposit date:2015-01-19
Release date:2015-08-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structures of intermediates during RES complex assembly.
Sci Rep, 5, 2015
2XIU
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BU of 2xiu by Molmil
High resolution structure of MTSL-tagged CylR2.
Descriptor: CYLR2, GLYCEROL, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
Authors:Gruene, T, Cho, M.-K, Karyagina, I, Kim, H.-Y, Grosse, C, Giller, K, Zweckstetter, M, Becker, S.
Deposit date:2010-07-01
Release date:2011-02-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Integrated Analysis of the Conformation of a Protein-Linked Spin Label by Crystallography, Epr and NMR Spectroscopy.
J.Biomol.NMR, 49, 2011
6FFW
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BU of 6ffw by Molmil
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
8P7I
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BU of 8p7i by Molmil
The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes
Descriptor: (2~{S},6~{R})-2,6-dimethyl-1,3-dioxane-4,4-diol, FORMIC ACID, Parathion hydrolase, ...
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 (1.7 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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