4AUE
 
 | | Crystal structure, recombinant expression and mutagenesis studies of the bifunctional catalase-phenol oxidase from Scytalidium thermophilum | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Yuzugullu, Y, Trinh, C.H, Smith, M.A, Pearson, A.R, Phillips, S.E.V, Sutay Kocabas, D, Bakir, U, Ogel, Z.B, McPherson, M.J. | | Deposit date: | 2012-05-17 | | Release date: | 2013-02-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure, Recombinant Expression and Mutagenesis Studies of the Catalase with Oxidase Activity from Scytalidium Thermophilum
Acta Crystallogr.,Sect.D, 69, 2013
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4AUM
 | | Crystal structure, recombinant expression and mutagenesis studies of the bifunctional catalase-phenol oxidase from Scytalidium thermophilum | | Descriptor: | CALCIUM ION, CATALASE-PHENOL OXIDASE, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, ... | | Authors: | Yuzugullu, Y, Trinh, C.H, Smith, M.A, Pearson, A.R, Phillips, S.E.V, Sutay Kocabas, D, Bakir, U, Ogel, Z.B, McPherson, M.J. | | Deposit date: | 2012-05-18 | | Release date: | 2013-02-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure, Recombinant Expression and Mutagenesis Studies of the Catalase with Oxidase Activity from Scytalidium Thermophilum
Acta Crystallogr.,Sect.D, 69, 2013
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4AKY
 | | CRYSTAL STRUCTURE OF VIRB8 FROM BRUCELLA SUIS IN COMPLEX WITH INTERACTION INHIBITOR 2-(butylamino)-8-quinolinol | | Descriptor: | 2-(butylamino)quinolin-8-ol, TYPE IV SECRETION SYSTEM PROTEIN VIRB8 | | Authors: | Coincon, M, Smith, M.A, Sygusch, J, Baron, C. | | Deposit date: | 2012-02-29 | | Release date: | 2012-09-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Identification of the Binding Site of Brucella Virb8 Interaction Inhibitors.
Chem.Biol., 19, 2012
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3EUZ
 | | Crystal Structure of Ribonuclease A in 50% Dimethylformamide | | Descriptor: | DIMETHYLFORMAMIDE, Ribonuclease pancreatic | | Authors: | Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C. | | Deposit date: | 2008-10-12 | | Release date: | 2009-06-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
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3EV1
 | | Crystal Structure of Ribonuclease A in 70% Hexanediol | | Descriptor: | HEXANE-1,6-DIOL, Ribonuclease pancreatic | | Authors: | Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C. | | Deposit date: | 2008-10-12 | | Release date: | 2009-06-23 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
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3EV2
 | | Crystal Structure of Ribonuclease A in 70% Isopropanol | | Descriptor: | ISOPROPYL ALCOHOL, Ribonuclease pancreatic | | Authors: | Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C. | | Deposit date: | 2008-10-12 | | Release date: | 2009-06-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
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3EV5
 | | Crystal Structure of Ribonuclease A in 1M Trimethylamine N-Oxide | | Descriptor: | Ribonuclease pancreatic, trimethylamine oxide | | Authors: | Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C. | | Deposit date: | 2008-10-12 | | Release date: | 2009-06-23 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
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3EV0
 | | Crystal Structure of Ribonuclease A in 70% Dimethyl Sulfoxide | | Descriptor: | DIMETHYL SULFOXIDE, Ribonuclease pancreatic | | Authors: | Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C. | | Deposit date: | 2008-10-12 | | Release date: | 2009-06-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
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2KIS
 | | Solution structure of CA150 FF1 domain and FF1-FF2 interdomain linker | | Descriptor: | Transcription elongation regulator 1 | | Authors: | Murphy, J.M, Hansen, D, Wiesner, S, Muhandiram, D, Borg, M, Smith, M.J, Sicheri, F, Kay, L.E, Forman-Kay, J.D, Pawson, T. | | Deposit date: | 2009-05-08 | | Release date: | 2009-09-08 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Structural studies of FF domains of the transcription factor CA150 provide insights into the organization of FF domain tandem arrays.
J.Mol.Biol., 393, 2009
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6O2E
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6O2F
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6MR8
 | | D276G DNA polymerase beta substrate complex with templating adenine and incoming Fapy-dGTP analog | | Descriptor: | 1,2-ETHANEDIOL, 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol, CALCIUM ION, ... | | Authors: | Freudenthal, B.D, Smith, M.R, Wilson, S.H, Beard, W.A. | | Deposit date: | 2018-10-11 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.897 Å) | | Cite: | A guardian residue hinders insertion of a Fapy•dGTP analog by modulating the open-closed DNA polymerase transition.
Nucleic Acids Res., 47, 2019
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6MR7
 | | DNA polymerase beta substrate complex with templating adenine and incoming Fapy-dGTP analog | | Descriptor: | 1,2-ETHANEDIOL, 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol, CALCIUM ION, ... | | Authors: | Freudenthal, B.D, Smith, M.R, Wilson, S.H, Beard, W.A. | | Deposit date: | 2018-10-11 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.144 Å) | | Cite: | A guardian residue hinders insertion of a Fapy•dGTP analog by modulating the open-closed DNA polymerase transition.
Nucleic Acids Res., 47, 2019
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2W0Q
 | | E. coli copper amine oxidase in complex with Xenon | | Descriptor: | CALCIUM ION, COPPER (II) ION, COPPER AMINE OXIDASE, ... | | Authors: | Pirrat, P, Smith, M.A, Pearson, A.R, McPherson, M.J, Phillips, S.E.V. | | Deposit date: | 2008-08-20 | | Release date: | 2008-12-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Structure of a Xenon Derivative of Escherichia Coli Copper Amine Oxidase: Confirmation of the Proposed Oxygen-Entry Pathway.
Acta Crystallogr.,Sect.F, 64, 2008
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6MYN
 | | Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to inhibitor R7 | | Descriptor: | (5s,7s)-9-fluoro-10-[(3R)-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-yn-1-yl]-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | | Authors: | Harris, S.F, Smith, M, Barker, J. | | Deposit date: | 2018-11-01 | | Release date: | 2019-08-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.744 Å) | | Cite: | Structure Based Design of Potent Selective Inhibitors of Protein Kinase D1 (PKD1).
Acs Med.Chem.Lett., 10, 2019
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3O6Y
 | | Robust computational design, optimization, and structural characterization of retroaldol enzymes | | Descriptor: | Retro-Aldolase, SULFATE ION | | Authors: | Althoff, E.A, Wang, L, Jiang, L, Moody, J, Bolduc, J, Lassila, J.K, Wang, Z.Z, Smith, M, Hari, S, Herschlag, D, Stoddard, B.L, Baker, D. | | Deposit date: | 2010-07-29 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.091 Å) | | Cite: | Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
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3NXF
 | | Robust computational design, optimization, and structural characterization of retroaldol enzymes | | Descriptor: | Retro-Aldolase, SULFATE ION | | Authors: | Althoff, E.A, Jiang, L, Wang, L, Lassila, J.K, Moody, J, Bolduc, J, Wang, Z.Z, Smith, M, Hari, S, Herschlag, D, Stoddard, B.L, Baker, D. | | Deposit date: | 2010-07-13 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
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2VXS
 | | Structure of IL-17A in complex with a potent, fully human neutralising antibody | | Descriptor: | FAB FRAGMENT, INTERLEUKIN-17A, SULFATE ION | | Authors: | Gerhardt, S, Hargreaves, D, Pauptit, R.A, Davies, R.A, Russell, C, Welsh, F, Tuske, S.J, Coales, S.J, Hamuro, Y, Needham, M.R.C, Langham, C, Barker, W, Bell, P, Aziz, A, Smith, M.J, Dawson, S, Abbott, W.M. | | Deposit date: | 2008-07-09 | | Release date: | 2009-07-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Structure of Il-17A in Complex with a Potent, Fully Human Neutralising Antibody.
J.Mol.Biol., 394, 2009
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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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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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6GBL
 | | Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions | | Descriptor: | 1,2-ETHANEDIOL, CACODYLATE ION, FORMIC ACID, ... | | Authors: | Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J. | | Deposit date: | 2018-04-15 | | Release date: | 2018-10-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
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6GBJ
 | | Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, Parathion hydrolase, ... | | Authors: | Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J. | | Deposit date: | 2018-04-15 | | Release date: | 2018-10-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
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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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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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