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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
Descriptor: 6-NITROBENZOTRIAZOLE, Kemp eliminase
Authors:Seifinoferest, B.
Deposit date:2023-10-27
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: 6-NITROBENZOTRIAZOLE, Kemp eliminase
Authors:Seifinoferest, B.
Deposit date:2023-10-27
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.32 Å)
Cite: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
Descriptor: 6-NITROBENZOTRIAZOLE, Kemp eliminase
Authors:Seifinoferest, B.
Deposit date:2023-10-27
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
Descriptor: 6-NITROBENZOTRIAZOLE, Kemp eliminase
Authors:Seifinoferest, B.
Deposit date:2023-10-27
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: Kemp eliminase, SULFATE ION
Authors:Seifinoferest, B.
Deposit date:2023-10-27
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.37 Å)
Cite: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
Descriptor: ACETATE ION, DARPIN 6G9, IL13
Authors:Teplyakov, A, Malia, T, Obmolova, G, Gilliland, G.
Deposit date:2016-06-28
Release date:2016-12-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: Computational designed protein based on evolution
Authors:Meng, W, Feng, T.
Deposit date:2019-01-28
Release date:2019-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
Descriptor: Centyrin, GLYCEROL
Authors:Cardoso, R.M.F, Goldberg, S.D, O Neil, K.T, Gilliland, G.L.
Deposit date:2016-08-01
Release date:2016-11-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8013 Å)
Cite: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")
Descriptor: Beta-terfoil designed by folding nucleus symmetric expansion ("Phifoil"), SULFATE ION
Authors:Blaber, M, Longo, L.M.
Deposit date:2014-01-31
Release date:2014-12-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.148 Å)
Cite: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
Descriptor: Bifunctional purine biosynthesis protein PURH, POTASSIUM ION, XANTHOSINE-5'-MONOPHOSPHATE
Authors:Wolan, D.W, Cheong, C.G, Greasley, S.E, Wilson, I.A.
Deposit date:2003-06-06
Release date:2004-02-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: Chaperone protein sycN, Chaperone protein yscB, putative membrane-bound Yop targeting protein YopN
Authors:Schubot, F.D, Jackson, M.W, Penrose, K.J, Cherry, S, Tropea, J.E, Plano, G.V, Waugh, D.S.
Deposit date:2004-09-29
Release date:2005-03-22
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: Secretion control protein, protein type A
Authors:Schubot, F.D, Jackson, M.W, Penrose, K.J, Cherry, S, Tropea, J.E, Plano, G.V, Waugh, D.S.
Deposit date:2004-09-30
Release date:2005-03-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cytochrome C, ...
Authors: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.
Deposit date:2016-08-08
Release date:2016-10-12
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite: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
Descriptor: Designed myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kalvet, I, Bera, A.K, Baker, D.
Deposit date:2023-09-12
Release date:2024-01-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: CHLORIDE ION, Hg(II)(GRAND CoilSerL16CL19(DLE))3-, MERCURY (II) ION, ...
Authors:Ruckthong, L, Stuckey, J.A, Pecoraro, V.L.
Deposit date:2018-08-20
Release date:2019-04-03
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite: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
Descriptor: CHLORIDE ION, SODIUM ION, Serine hydrolase OSH55
Authors: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)
Deposit date:2011-12-14
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: GLYCINE, K2-CCTM-VbIc, NONAETHYLENE GLYCOL
Authors:Kratochvil, H.T, Liu, L, Scott, A.J, Woolfson, D.N, DeGrado, W.F.
Deposit date:2020-03-15
Release date:2021-04-07
Last modified:2021-07-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: CC-Type2-(TaId)2, GLYCEROL
Authors:Scott, A.J, Brady, R.L, Woolfson, D.N.
Deposit date:2020-03-15
Release date:2021-04-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.18 Å)
Cite: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
Descriptor: CC-Type2-(TaSd)2
Authors:Scott, A.J, Brady, R.L, Woolfson, D.N.
Deposit date:2020-03-15
Release date:2021-04-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.86 Å)
Cite: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
Descriptor: CC-Type2-(TaId)5
Authors:Scott, A.J, Brady, R.L, Woolfson, D.N.
Deposit date:2020-03-15
Release date:2021-04-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite: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
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, 2-AMINO-3-CARBOXYMUCONATE-6-SEMIALDEHYDE DECARBOXYLASE, GLYCEROL, ...
Authors:Garavaglia, S, Perozzi, S, Galeazzi, L, Raffaelli, N, Rizzi, M.
Deposit date:2009-06-29
Release date:2009-11-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite: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
Descriptor: CHLORIDE ION, Immunoglobulin G-binding protein G, ZINC ION
Authors:Maniaci, B, Stec, B, Huxford, T.
Deposit date:2019-01-08
Release date:2019-01-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: Acyl carrier protein, Cysteine desulfurase, mitochondrial, ...
Authors:Fox, N.G, Yu, X, Xidong, F, Alain, M, Joseph, N, Claire, S.D, Christine, B, Han, S, Yue, W.W.
Deposit date:2019-02-14
Release date:2019-05-22
Last modified:2019-07-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite: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
Descriptor: Immunoglobulin G-binding protein G, MAGNESIUM ION
Authors:Maniaci, B, Stec, B, Huxford, T.
Deposit date:2019-01-08
Release date:2019-01-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ...
Authors:Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
Deposit date:2020-04-08
Release date:2021-04-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021

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