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8USL
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BU of 8usl by Molmil
Crystal Structure of Kemp Eliminase HG185 with bound transition state analogue, 280 K
分子名称: 6-NITROBENZOTRIAZOLE, Kemp eliminase
著者Seifinoferest, B.
登録日2023-10-27
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
8USH
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BU of 8ush by Molmil
Crystal Structure of Kemp Eliminase HG630 with bound transition state analogue, 280 K
分子名称: 6-NITROBENZOTRIAZOLE, Kemp eliminase
著者Seifinoferest, B.
登録日2023-10-27
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
8USF
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BU of 8usf by Molmil
Crystal Structure of Kemp Eliminase HG649 with bound transition state analogue, 280 K
分子名称: 6-NITROBENZOTRIAZOLE, Kemp eliminase
著者Seifinoferest, B.
登録日2023-10-27
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
8USJ
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BU of 8usj by Molmil
Crystal Structure of Kemp Eliminase HG198 with bound transition state analogue, 280 K
分子名称: 6-NITROBENZOTRIAZOLE, Kemp eliminase
著者Seifinoferest, B.
登録日2023-10-27
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
8USG
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BU of 8usg by Molmil
Crystal Structure of Kemp Eliminase HG630 in unbound state, 280 K
分子名称: Kemp eliminase, SULFATE ION
著者Seifinoferest, B.
登録日2023-10-27
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
5KNH
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BU of 5knh by Molmil
CRYSTAL STRUCTURE OF DARPIN 6G9 IN COMPLEX WITH CYNO IL-13
分子名称: ACETATE ION, DARPIN 6G9, IL13
著者Teplyakov, A, Malia, T, Obmolova, G, Gilliland, G.
登録日2016-06-28
公開日2016-12-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Conformational flexibility of an anti-IL-13 DARPin.
Protein Eng. Des. Sel., 30, 2017
6JCC
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BU of 6jcc by Molmil
structure of a de novo protein D_1CY5_M1
分子名称: Computational designed protein based on evolution
著者Meng, W, Feng, T.
登録日2019-01-28
公開日2019-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献structure of a computationally designed mutant protein D_1CY5_M1
To Be Published
5L2H
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BU of 5l2h by Molmil
Crystal Structure of W26A mutant of anti-EGFR Centyrin P54AR4-83v2
分子名称: Centyrin, GLYCEROL
著者Cardoso, R.M.F, Goldberg, S.D, O Neil, K.T, Gilliland, G.L.
登録日2016-08-01
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8013 Å)
主引用文献Engineering a targeted delivery platform using Centyrins.
Protein Eng. Des. Sel., 29, 2016
4OW4
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BU of 4ow4 by Molmil
Beta-trefoil designed by folding nucleus symmetric expansion ("Phifoil")
分子名称: Beta-terfoil designed by folding nucleus symmetric expansion ("Phifoil"), SULFATE ION
著者Blaber, M, Longo, L.M.
登録日2014-01-31
公開日2014-12-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.148 Å)
主引用文献Evolution and design of protein structure by folding nucleus symmetric expansion.
Structure, 22, 2014
1PKX
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BU of 1pkx by Molmil
Crystal Structure of human ATIC in complex with XMP
分子名称: Bifunctional purine biosynthesis protein PURH, POTASSIUM ION, XANTHOSINE-5'-MONOPHOSPHATE
著者Wolan, D.W, Cheong, C.G, Greasley, S.E, Wilson, I.A.
登録日2003-06-06
公開日2004-02-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights into the Human and Avian IMP Cyclohydrolase Mechanism via Crystal Structures with the Bound XMP Inhibitor.
Biochemistry, 43, 2004
1XKP
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BU of 1xkp by Molmil
Crystal structure of the virulence factor YopN in complex with its heterodimeric chaperone SycN-YscB
分子名称: Chaperone protein sycN, Chaperone protein yscB, putative membrane-bound Yop targeting protein YopN
著者Schubot, F.D, Jackson, M.W, Penrose, K.J, Cherry, S, Tropea, J.E, Plano, G.V, Waugh, D.S.
登録日2004-09-29
公開日2005-03-22
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Three-dimensional structure of a macromolecular assembly that regulates type III secretion in Yersinia pestis.
J.Mol.Biol., 346, 2005
1XL3
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BU of 1xl3 by Molmil
Complex structure of Y.pestis virulence Factors YopN and TyeA
分子名称: Secretion control protein, protein type A
著者Schubot, F.D, Jackson, M.W, Penrose, K.J, Cherry, S, Tropea, J.E, Plano, G.V, Waugh, D.S.
登録日2004-09-30
公開日2005-03-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Three-dimensional structure of a macromolecular assembly that regulates type III secretion in Yersinia pestis.
J.Mol.Biol., 346, 2005
5LO9
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BU of 5lo9 by Molmil
Thiosulfate dehydrogenase (TsdBA) from Marichromatium purpuratum - "as isolated" form
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Cytochrome C, ...
著者Brito, J.A, Kurth, J.M, Reuter, J, Flegler, A, Koch, T, Franke, T, Klein, E, Rowe, S, Butt, J.N, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
登録日2016-08-08
公開日2016-10-12
最終更新日2017-09-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Electron Accepting Units of the Diheme Cytochrome c TsdA, a Bifunctional Thiosulfate Dehydrogenase/Tetrathionate Reductase.
J.Biol.Chem., 291, 2016
8U5A
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BU of 8u5a by Molmil
Improving protein expression, stability, and function with ProteinMPNN
分子名称: Designed myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Kalvet, I, Bera, A.K, Baker, D.
登録日2023-09-12
公開日2024-01-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Improving Protein Expression, Stability, and Function with ProteinMPNN.
J.Am.Chem.Soc., 146, 2024
6EGN
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BU of 6egn by Molmil
Crystal Structure of a Three-stranded Coiled Coil Peptide Containing a Trigonal Planar Hg(II)S3 Site Modified by D-Leu in the Second Coordination Sphere
分子名称: CHLORIDE ION, Hg(II)(GRAND CoilSerL16CL19(DLE))3-, MERCURY (II) ION, ...
著者Ruckthong, L, Stuckey, J.A, Pecoraro, V.L.
登録日2018-08-20
公開日2019-04-03
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献How Outer Coordination Sphere Modifications Can Impact Metal Structures in Proteins: A Crystallographic Evaluation.
Chemistry, 25, 2019
3V45
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BU of 3v45 by Molmil
Crystal Structure of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium Target OR130
分子名称: CHLORIDE ION, SODIUM ION, Serine hydrolase OSH55
著者Kuzin, A, Su, M, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Rajagopalan, S, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2011-12-14
公開日2012-01-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
6YB1
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BU of 6yb1 by Molmil
Crystal structure of an antiparallel octameric transmembrane coiled coil K2-CCTM-VbIc
分子名称: GLYCINE, K2-CCTM-VbIc, NONAETHYLENE GLYCOL
著者Kratochvil, H.T, Liu, L, Scott, A.J, Woolfson, D.N, DeGrado, W.F.
登録日2020-03-15
公開日2021-04-07
最終更新日2021-07-14
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Constructing ion channels from water-soluble alpha-helical barrels.
Nat.Chem., 13, 2021
6YB2
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BU of 6yb2 by Molmil
Crystal structure of a parallel hexameric coiled coil CC-Type2-(TaId)2
分子名称: CC-Type2-(TaId)2, GLYCEROL
著者Scott, A.J, Brady, R.L, Woolfson, D.N.
登録日2020-03-15
公開日2021-04-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Constructing ion channels from water-soluble alpha-helical barrels.
Nat.Chem., 13, 2021
6YB0
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BU of 6yb0 by Molmil
Crystal structure of a parallel hexameric coiled coil CC-Type2-(TaSd)2
分子名称: CC-Type2-(TaSd)2
著者Scott, A.J, Brady, R.L, Woolfson, D.N.
登録日2020-03-15
公開日2021-04-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Constructing ion channels from water-soluble alpha-helical barrels.
Nat.Chem., 13, 2021
6YAZ
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BU of 6yaz by Molmil
Crystal structure of a parallel hexameric coiled coil CC-Type2-(TaId)5
分子名称: CC-Type2-(TaId)5
著者Scott, A.J, Brady, R.L, Woolfson, D.N.
登録日2020-03-15
公開日2021-04-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Constructing ion channels from water-soluble alpha-helical barrels.
Nat.Chem., 13, 2021
2WM1
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BU of 2wm1 by Molmil
The crystal structure of human alpha-amino-beta-carboxymuconate- epsilon-semialdehyde decarboxylase in complex with 1,3- dihydroxyacetonephosphate suggests a regulatory link between NAD synthesis and glycolysis
分子名称: 1,3-DIHYDROXYACETONEPHOSPHATE, 2-AMINO-3-CARBOXYMUCONATE-6-SEMIALDEHYDE DECARBOXYLASE, GLYCEROL, ...
著者Garavaglia, S, Perozzi, S, Galeazzi, L, Raffaelli, N, Rizzi, M.
登録日2009-06-29
公開日2009-11-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The Crystal Structure of Human Alpha-Amino-Beta-Carboxymuconate-Epsilon-Semialdehyde Decarboxylase in Complex with 1,3-Dihydroxyacetonephosphate Suggests a Regulatory Link between Nad Synthesis and Glycolysis
FEBS J., 276, 2009
6NL8
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BU of 6nl8 by Molmil
Crystal structure of de novo designed metal-controlled dimer of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (L12H, T16L, V29H, Y33H, N37L)-zinc
分子名称: CHLORIDE ION, Immunoglobulin G-binding protein G, ZINC ION
著者Maniaci, B, Stec, B, Huxford, T.
登録日2019-01-08
公開日2019-01-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design of High-Affinity Metal-Controlled Protein Dimers.
Biochemistry, 58, 2019
6NZU
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BU of 6nzu by Molmil
Structure of the human frataxin-bound iron-sulfur cluster assembly complex
分子名称: Acyl carrier protein, Cysteine desulfurase, mitochondrial, ...
著者Fox, N.G, Yu, X, Xidong, F, Alain, M, Joseph, N, Claire, S.D, Christine, B, Han, S, Yue, W.W.
登録日2019-02-14
公開日2019-05-22
最終更新日2019-07-10
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure of the human frataxin-bound iron-sulfur cluster assembly complex provides insight into its activation mechanism.
Nat Commun, 10, 2019
6NLB
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BU of 6nlb by Molmil
Crystal structure of de novo designed metal-controlled dimer of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, V29H, Y33H, N37L)-apo
分子名称: Immunoglobulin G-binding protein G, MAGNESIUM ION
著者Maniaci, B, Stec, B, Huxford, T.
登録日2019-01-08
公開日2019-01-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design of High-Affinity Metal-Controlled Protein Dimers.
Biochemistry, 58, 2019
6WHO
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BU of 6who by Molmil
Histone deacetylases complex with peptide macrocycles
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ...
著者Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
登録日2020-04-08
公開日2021-04-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021

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