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6DVK
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BU of 6dvk by Molmil
Computationally designed mini tetraloop-tetraloop receptor by the RNAMake program - construct 6 (miniTTR 6)
分子名称: COBALT (II) ION, MAGNESIUM ION, RNA (95-MER)
著者Eiler, D.R, Yesselman, J.D, Costantino, D.A, Das, R, Kieft, J.S.
登録日2018-06-24
公開日2019-06-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Computational design of three-dimensional RNA structure and function.
Nat Nanotechnol, 14, 2019
3FZW
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BU of 3fzw by Molmil
Crystal Structure of Ketosteroid Isomerase D40N-D103N from Pseudomonas putida (pKSI) with bound equilenin
分子名称: EQUILENIN, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Caaveiro, J.M.M, Ringe, D, Petsko, G.A.
登録日2009-01-26
公開日2009-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Hydrogen bond coupling in the ketosteroid isomerase active site.
Biochemistry, 48, 2009
3CPO
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BU of 3cpo by Molmil
Crystal structure of ketosteroid isomerase D40N with bound 2-fluorophenol
分子名称: 2-fluorophenol, Delta(5)-3-ketosteroid isomerase
著者Caaveiro, J.M.M, Pybus, B, Ringe, D, Petsko, G.
登録日2008-03-31
公開日2008-09-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole
J.Am.Chem.Soc., 130, 2008
1B4S
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BU of 1b4s by Molmil
STRUCTURE OF NUCLEOSIDE DIPHOSPHATE KINASE H122G MUTANT
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NUCLEOSIDE DIPHOSPHATE KINASE, ...
著者Meyer, P, Janin, J.
登録日1998-12-28
公開日1999-06-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Nucleophilic activation by positioning in phosphoryl transfer catalyzed by nucleoside diphosphate kinase.
Biochemistry, 38, 1999
3VGN
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BU of 3vgn by Molmil
Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 3-fluoro-4-nitrophenol
分子名称: 3-fluoro-4-nitrophenol, Steroid Delta-isomerase
著者Caaveiro, J.M.M, Pybus, B, Ringe, D, Petsko, G.A, Sigala, P.A.
登録日2011-08-16
公開日2012-08-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Quantitative dissection of hydrogen bond-mediated proton transfer in the ketosteroid isomerase active site
Proc.Natl.Acad.Sci.USA, 110, 2013
2PZV
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BU of 2pzv by Molmil
Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas Putida (pksi) with bound Phenol
分子名称: PHENOL, Steroid Delta-isomerase
著者Pybus, B, Caaveiro, J.M.M, Petsko, G.A, Ringe, D.
登録日2007-05-18
公開日2007-06-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Testing Electrostatic complementarity in Enzyme Catalysis: Hydrogen Bonding in the Ketosteroid Isomerase Oxyanion Hole
PLoS Biol., 4, 2006
7JU1
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BU of 7ju1 by Molmil
The FARFAR-NMR Ensemble of 29-mer HIV-1 Trans-activation Response Element RNA (N=20)
分子名称: RNA (29-MER)
著者Shi, H, Rangadurai, A, Roy, R, Yesselman, J.D, Al-Hashimi, H.M.
登録日2020-08-18
公開日2020-10-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Rapid and accurate determination of atomistic RNA dynamic ensemble models using NMR and structure prediction
Nat Commun, 11, 2020
2RH6
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BU of 2rh6 by Molmil
Structure of Xac NPP for evaluation of refinement methodology
分子名称: ADENOSINE MONOPHOSPHATE, Phosphodiesterase-nucleotide pyrophosphatase, ZINC ION
著者Zalatan, J.G, Fenn, T.D, Brunger, A.T, Hershlag, D.
登録日2007-10-06
公開日2007-10-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystallographic Goodness of Fit: A New Treatment of Model Complexity
To be Published
8EZO
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BU of 8ezo by Molmil
Lysozyme Anomalous Dataset at 220 K and 7.1 keV
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Doukov, T, Yabukarski, F.
登録日2022-11-01
公開日2023-03-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
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
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

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