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PDB: 74 件
6URL
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BU of 6url by Molmil
Barrier-to-autointegration factor soaked in isopropanol: 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-23
公開日2020-10-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6URR
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BU of 6urr by Molmil
Barrier-to-autointegration factor soaked in Dioxane: 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-24
公開日2020-10-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6USI
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BU of 6usi by Molmil
Barrier-to-autointegration factor soaked in 1,6-hexanediol: 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-26
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6URE
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BU of 6ure by Molmil
Barrier-to-autointegration factor Aqueous: 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-23
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6URK
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BU of 6urk by Molmil
Barrier-to-autointegration factor soaked in Glycerol: 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-23
公開日2020-10-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6USD
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BU of 6usd by Molmil
Barrier-to-autointegration factor soaked in ethanol: 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-25
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
1NZ2
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BU of 1nz2 by Molmil
K45E Variant of Horse Heart Myoglobin
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Hunter, C.L, Maurus, R, Mauk, M.R, Lee, H, Raven, E.L, Tong, H, Nguyen, N, Smith, M, Brayer, G.D, Mauk, A.G.
登録日2003-02-15
公開日2003-04-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Introduction and characterization of a functionally linked metal ion binding site at the exposed heme edge of myoglobin
Proc.Natl.Acad.Sci.USA, 100, 2003
1PIJ
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BU of 1pij by Molmil
THE THREE DIMENSIONAL STRUCTURE OF THE PARAMAGNETIC PROTEIN HIPIP I FROM E.HALOPHILA THROUGH NUCLEAR MAGNETIC RESONANCE
分子名称: HIGH POTENTIAL IRON SULFUR PROTEIN, IRON/SULFUR CLUSTER
著者Banci, L, Bertini, I, Eltis, L.D, Felli, I.C, Kastrau, D.H.W, Luchinat, C, Piccioli, M, Pierattelli, R, Smith, M.
登録日1994-11-11
公開日1995-02-07
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The three-dimensional structure in solution of the paramagnetic high-potential iron-sulfur protein I from Ectothiorhodospira halophila through nuclear magnetic resonance.
Eur.J.Biochem., 225, 1994
1PIH
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BU of 1pih by Molmil
THE THREE DIMENSIONAL STRUCTURE OF THE PARAMAGNETIC PROTEIN HIPIP I FROM E.HALOPHILA THROUGH NUCLEAR MAGNETIC RESONANCE
分子名称: HIGH POTENTIAL IRON SULFUR PROTEIN, IRON/SULFUR CLUSTER
著者Banci, L, Bertini, I, Eltis, L.D, Felli, I, Kastrau, D.H.W, Luchinat, C, Piccioli, M, Pierattelli, R, Smith, M.
登録日1994-08-03
公開日1994-12-20
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The three-dimensional structure in solution of the paramagnetic high-potential iron-sulfur protein I from Ectothiorhodospira halophila through nuclear magnetic resonance.
Eur.J.Biochem., 225, 1994
6MYN
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BU of 6myn by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to inhibitor R7
分子名称: (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
著者Harris, S.F, Smith, M, Barker, J.
登録日2018-11-01
公開日2019-08-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.744 Å)
主引用文献Structure Based Design of Potent Selective Inhibitors of Protein Kinase D1 (PKD1).
Acs Med.Chem.Lett., 10, 2019
3NXF
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BU of 3nxf by Molmil
Robust computational design, optimization, and structural characterization of retroaldol enzymes
分子名称: Retro-Aldolase, SULFATE ION
著者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.
登録日2010-07-13
公開日2011-06-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
3O6Y
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BU of 3o6y by Molmil
Robust computational design, optimization, and structural characterization of retroaldol enzymes
分子名称: Retro-Aldolase, SULFATE ION
著者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.
登録日2010-07-29
公開日2011-06-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.091 Å)
主引用文献Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
6GBL
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BU of 6gbl by Molmil
Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions
分子名称: 1,2-ETHANEDIOL, CACODYLATE ION, FORMIC ACID, ...
著者Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J.
登録日2018-04-15
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
6FU6
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BU of 6fu6 by Molmil
Phosphotriesterase PTE_C23_2
分子名称: FORMIC ACID, POLYACRYLIC ACID, Parathion hydrolase, ...
著者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.
登録日2018-02-26
公開日2019-03-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Phosphotriesterase PTE_A53_4
To Be Published
6G3M
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BU of 6g3m by Molmil
Phosphotriesterase PTE_C23M_4
分子名称: 1-ethyl-1-methyl-cyclohexane, CHLORIDE ION, FORMIC ACID, ...
著者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.
登録日2018-03-26
公開日2019-04-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.665 Å)
主引用文献Phosphotriesterase PTE_C23M_4
To Be Published
6GBK
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BU of 6gbk by Molmil
Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Parathion hydrolase, ...
著者Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J.
登録日2018-04-15
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
6GBJ
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BU of 6gbj by Molmil
Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, Parathion hydrolase, ...
著者Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J.
登録日2018-04-15
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
6G1J
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BU of 6g1j by Molmil
Phosphotriesterase PTE_C23M_1
分子名称: 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ...
著者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.
登録日2018-03-21
公開日2019-04-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Phosphotriesterase PTE_C23M_1
To Be Published
6FWE
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BU of 6fwe by Molmil
Phosphotriesterase PTE_C23_6
分子名称: 1-[methoxy(methyl)phosphoryl]oxyethane, 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, ...
著者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.
登録日2018-03-06
公開日2019-03-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.774 Å)
主引用文献Phosphotriesterase PTE_C23_6
To Be Published
6FRZ
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BU of 6frz by Molmil
Phosphotriesterase PTE_A53_7
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-methylcyclohexane-1,1,3,3-tetrol, DI(HYDROXYETHYL)ETHER, ...
著者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.
登録日2018-02-18
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Phosphotriesterase PTE_A53_7
To Be Published
5HQ3
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BU of 5hq3 by Molmil
Stable, high-expression variant of human acetylcholinesterase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acetylcholinesterase, O-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUP
著者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.
登録日2016-01-21
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Automated Structure- and Sequence-Based Design of Proteins for High Bacterial Expression and Stability.
Mol.Cell, 63, 2016
6FFW
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BU of 6ffw by Molmil
Phosphotriesterase PTE_A53_5
分子名称: (4~{S},6~{R})-2,2,6-trimethyl-1,3-dioxan-4-ol, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者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.
登録日2018-01-09
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.495 Å)
主引用文献Phosphotriesterase PTE_A53_5
To Be Published
6FQE
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BU of 6fqe by Molmil
Phosphotriesterase PTE_A53_4
分子名称: (4~{S},6~{R})-2,2,6-trimethyl-1,3-dioxan-4-ol, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
著者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.
登録日2018-02-14
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Phosphotriesterase PTE_A53_4
To Be Published
6FS3
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BU of 6fs3 by Molmil
Phosphotriesterase PTE_A53_1
分子名称: (2~{S})-2-methylpentanedioic acid, FORMIC ACID, Parathion hydrolase, ...
著者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.
登録日2018-02-19
公開日2019-03-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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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