4C4X
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![BU of 4c4x by Molmil](/molmil-images/mine/4c4x) | Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with C9 | Descriptor: | 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea, BIFUNCTIONAL EPOXIDE HYDROLASE 2 | Authors: | Pilger, J, Mazur, A, Monecke, P, Schreuder, H, Elshorst, B, Langer, T, Schiffer, A, Krimm, I, Wegstroth, M, Lee, D, Hessler, G, Wendt, K.-U, Becker, S, Griesinger, C. | Deposit date: | 2013-09-09 | Release date: | 2014-10-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles. Angew.Chem.Int.Ed.Engl., 54, 2015
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1XA8
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![BU of 1xa8 by Molmil](/molmil-images/mine/1xa8) | Crystal Structure Analysis of Glutathione-dependent formaldehyde-activating enzyme (Gfa) | Descriptor: | GLUTATHIONE, GLYCEROL, Glutathione-dependent formaldehyde-activating enzyme, ... | Authors: | Neculai, A.M, Neculai, D, Griesinger, C, Vorholt, J.A, Becker, S. | Deposit date: | 2004-08-25 | Release date: | 2004-11-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A dynamic zinc redox switch J.Biol.Chem., 280, 2005
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1X6M
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![BU of 1x6m by Molmil](/molmil-images/mine/1x6m) | Crystal structure of the glutathione-dependent formaldehyde-activating enzyme (Gfa) | Descriptor: | GLYCEROL, Glutathione-dependent formaldehyde-activating enzyme, SULFATE ION, ... | Authors: | Neculai, A.M, Neculai, D, Vorholt, J.A, Becker, S. | Deposit date: | 2004-08-11 | Release date: | 2004-11-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | A dynamic zinc redox switch J.Biol.Chem., 280, 2005
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2YAT
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![BU of 2yat by Molmil](/molmil-images/mine/2yat) | Crystal structure of estradiol derived metal chelate and estrogen receptor-ligand binding domain complex | Descriptor: | ESTRADIOL-PYRIDINIUM TETRAACETIC ACID, ESTROGEN RECEPTOR, EUROPIUM ION, ... | Authors: | Li, M.J, Greenblatt, H.M, Dym, O, Albeck, S, Degani, H, Sussman, J.L. | Deposit date: | 2011-02-24 | Release date: | 2011-06-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.602 Å) | Cite: | Structure of Estradiol Metal Chelate and Estrogen Receptor Complex: The Basis for Designing a New Class of Selective Estrogen Receptor Modulators. J.Med.Chem., 54, 2011
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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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2J80
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![BU of 2j80 by Molmil](/molmil-images/mine/2j80) | Structure of Citrate-bound Periplasmic Domain of Sensor Histidine Kinase CitA | Descriptor: | CITRATE ANION, GLYCEROL, SENSOR KINASE CITA, ... | Authors: | Sevvana, M, Vijayan, V, Zweckstetter, M, Reinelt, S, Madden, D.R, Sheldrick, G.M, Bott, M, Griesinger, C, Becker, S. | Deposit date: | 2006-10-18 | Release date: | 2007-10-23 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Ligand-Induced Switch in the Periplasmic Domain of Sensor Histidine Kinase Cita. J.Mol.Biol., 377, 2008
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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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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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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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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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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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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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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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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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3BTP
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![BU of 3btp by Molmil](/molmil-images/mine/3btp) | Crystal structure of Agrobacterium tumefaciens VirE2 in complex with its chaperone VirE1: a novel fold and implications for DNA binding | Descriptor: | AMMONIUM ION, DI(HYDROXYETHYL)ETHER, Protein virE1, ... | Authors: | Dym, O, Albeck, S, Unger, T, Elbaum, M, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2007-12-30 | Release date: | 2008-08-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the Agrobacterium virulence complex VirE1-VirE2 reveals a flexible protein that can accommodate different partners. Proc.Natl.Acad.Sci.Usa, 105, 2008
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2GZU
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![BU of 2gzu by Molmil](/molmil-images/mine/2gzu) | |
5HQ3
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![BU of 5hq3 by Molmil](/molmil-images/mine/5hq3) | Stable, high-expression variant of human acetylcholinesterase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acetylcholinesterase, O-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUP | Authors: | Goldenzweig, A, Goldsmith, M, Hill, S.E, Gertman, O, Laurino, P, Ashani, Y, Dym, O, Albeck, S, Unger, T, Prilusky, J, Lieberman, R.L, Aharoni, A, Silman, I, Sussman, J.L, Tawfik, D.S, Fleishman, S.J. | Deposit date: | 2016-01-21 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Automated Structure- and Sequence-Based Design of Proteins for High Bacterial Expression and Stability. Mol.Cell, 63, 2016
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2KOX
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![BU of 2kox by Molmil](/molmil-images/mine/2kox) | 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
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8B1P
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![BU of 8b1p by Molmil](/molmil-images/mine/8b1p) | Crystal structure of SUDV VP40 CCS mutant | Descriptor: | Matrix protein VP40 | Authors: | Werner, A.-D, Becker, S. | Deposit date: | 2022-09-11 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The C-terminus of Sudan ebolavirus VP40 contains a functionally important CX n C motif, a target for redox modifications. Structure, 31, 2023
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8B1O
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![BU of 8b1o by Molmil](/molmil-images/mine/8b1o) | Crystal structure of SUDV VP40 C314S mutant | Descriptor: | Matrix protein VP40 | Authors: | Werner, A.-D, Becker, S. | Deposit date: | 2022-09-11 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The C-terminus of Sudan ebolavirus VP40 contains a functionally important CX n C motif, a target for redox modifications. Structure, 31, 2023
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3UFE
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![BU of 3ufe by Molmil](/molmil-images/mine/3ufe) | Structure of transcriptional antiterminator (BGLG-family) at 1.5 A resolution | Descriptor: | CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... | Authors: | Grosse, C, Himmel, S, Becker, S, Sheldrick, G.M, Uson, I. | Deposit date: | 2011-11-01 | Release date: | 2012-02-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of transcriptional antiterminator (BGLG-family) at 1.5 A resolution To be Published
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2LYP
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![BU of 2lyp by Molmil](/molmil-images/mine/2lyp) | NOE-based 3D structure of the monomer of CylR2 in equilibrium with predissociated homodimer at 266K (-7 Celsius degrees) | Descriptor: | CylR2 | Authors: | Jaremko, M, Jaremko, L, Kim, H, Cho, M, Schwieters, C.D, Giller, K, Becker, S, Zweckstetter, M. | Deposit date: | 2012-09-19 | Release date: | 2013-02-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Cold denaturation of a protein dimer monitored at atomic resolution. Nat.Chem.Biol., 9, 2013
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2LYJ
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![BU of 2lyj by Molmil](/molmil-images/mine/2lyj) | NOE-based 3D structure of the CylR2 homodimer at 298K | Descriptor: | CylR2 | Authors: | Jaremko, M, Jaremko, L, Kim, H, Cho, M, Giller, K, Becker, S, Zweckstetter, M, Schwieters, C.D. | Deposit date: | 2012-09-19 | Release date: | 2013-02-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Cold denaturation of a protein dimer monitored at atomic resolution. Nat.Chem.Biol., 9, 2013
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2LYK
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![BU of 2lyk by Molmil](/molmil-images/mine/2lyk) | NOE-based 3D structure of the CylR2 homodimer at 270K (-3 Celsius degrees) | Descriptor: | CylR2 | Authors: | Jaremko, M, Jaremko, L, Kim, H, Cho, M, Schwieters, C.D, Giller, K, Becker, S, Zweckstetter, M. | Deposit date: | 2012-09-19 | Release date: | 2013-02-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Cold denaturation of a protein dimer monitored at atomic resolution. Nat.Chem.Biol., 9, 2013
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