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3ZXJ
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BU of 3zxj by Molmil
Engineering the active site of a GH43 glycoside hydrolase generates a biotechnologically significant enzyme that displays both endo- xylanase and exo-arabinofuranosidase activity
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, HIAXHD3, ...
Authors:McKee, L.S, Pena, M.J, Rogowski, A, Jackson, A, Lewis, R.J, York, W.S, Krogh, K.B.R.M, Vikso-Nielsen, A, Skjot, M, Gilbert, H.J, Marles-Wright, J.
Deposit date:2011-08-11
Release date:2012-04-18
Last modified:2012-05-02
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Introducing Endo-Xylanase Activity Into an Exo-Acting Arabinofuranosidase that Targets Side Chains.
Proc.Natl.Acad.Sci.USA, 109, 2012
3ZXK
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BU of 3zxk by Molmil
Engineering the active site of a GH43 glycoside hydrolase generates a biotechnologically significant enzyme that displays both endo- xylanase and exo-arabinofuranosidase activity
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIAXHD3, alpha-L-arabinofuranose-(1-2)-[beta-D-xylopyranose-(1-4)]beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:McKee, L.S, Pena, M.J, Rogowski, A, Jackson, A, Lewis, R.J, York, W.S, Krogh, K.B.R.M, Vikso-Nielsen, A, Skjot, M, Gilbert, H.J, Marles-Wright, J.
Deposit date:2011-08-11
Release date:2012-04-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Introducing Endo-Xylanase Activity Into an Exo-Acting Arabinofuranosidase that Targets Side Chains.
Proc.Natl.Acad.Sci.USA, 109, 2012
5HI1
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BU of 5hi1 by Molmil
Backbone Modifications in the Protein GB1 Helix: Aib24, beta-3-Lys28, beta-3-Lys31, Aib35
Descriptor: ACETATE ION, Immunoglobulin G-binding protein G
Authors:Tavenor, N.A, Reinert, Z.E, Lengyel, G.A, Griffith, B.D, Horne, W.S.
Deposit date:2016-01-11
Release date:2016-02-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Comparison of design strategies for alpha-helix backbone modification in a protein tertiary fold.
Chem.Commun.(Camb.), 52, 2016
3ZXL
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BU of 3zxl by Molmil
Engineering the active site of a GH43 glycoside hydrolase generates a biotechnologically significant enzyme that displays both endo- xylanase and exo-arabinofuranosidase activity
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HIAXHD3
Authors:McKee, L.S, Pena, M.J, Rogowski, A, Jackson, A, Lewis, R.J, York, W.S, Krogh, K.B.R.M, Vikso-Nielsen, A, Skjot, M, Gilbert, H.J, Marles-Wright, J.
Deposit date:2011-08-11
Release date:2012-04-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.871 Å)
Cite:Introducing Endo-Xylanase Activity Into an Exo-Acting Arabinofuranosidase that Targets Side Chains.
Proc.Natl.Acad.Sci.USA, 109, 2012
2YJ1
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BU of 2yj1 by Molmil
Puma BH3 foldamer in complex with Bcl-xL
Descriptor: ALPHA-BETA-PUMA BH3 FOLDAMER, BCL-2-LIKE PROTEIN 1
Authors:Lee, E.F, Smith, B.J, Horne, W.S, Mayer, K.N, Evangelista, M, Colman, P.M, Gellman, S.H, Fairlie, W.D.
Deposit date:2011-05-18
Release date:2011-10-12
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural Basis of Bcl-Xl Recognition by a Bh3-Mimetic Alpha-Beta-Peptide Generated Via Sequence-Based Design
Chembiochem, 12, 2011
8T0G
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BU of 8t0g by Molmil
Backbone Dialkylation in Peptide Hairpins: Natural Backbone Prototype
Descriptor: Immunoglobulin G-binding protein G
Authors:Heath, S.L, Horne, W.S, Lengyel, G.A.
Deposit date:2023-06-01
Release date:2023-08-16
Method:SOLUTION NMR
Cite:Effects of chirality and side chain length in C alpha , alpha-dialkylated residues on beta-hairpin peptide folded structure and stability.
Org.Biomol.Chem., 21, 2023
8T0H
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BU of 8t0h by Molmil
Backbone Dialkylation in Peptide Hairpins: (S)-Ethylpropylglycine variant
Descriptor: Immunoglobulin G-binding protein G
Authors:Heath, S.L, Horne, W.S, Lengyel, G.A.
Deposit date:2023-06-01
Release date:2023-08-16
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Effects of chirality and side chain length in C alpha , alpha-dialkylated residues on beta-hairpin peptide folded structure and stability.
Org.Biomol.Chem., 21, 2023
8T0I
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BU of 8t0i by Molmil
Backbone Dialkylation in Peptide Hairpins: (R)-Ethylpropylglycine variant
Descriptor: Immunoglobulin G-binding protein G
Authors:Heath, S.L, Horne, W.S, Lengyel, G.A.
Deposit date:2023-06-01
Release date:2023-08-16
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Effects of chirality and side chain length in C alpha , alpha-dialkylated residues on beta-hairpin peptide folded structure and stability.
Org.Biomol.Chem., 21, 2023
3BBZ
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BU of 3bbz by Molmil
Structure of the nucleocapsid-binding domain from the mumps virus phosphoprotein
Descriptor: BROMIDE ION, FORMIC ACID, P protein
Authors:Kingston, R.L, Gay, L.S, Baase, W.S, Matthews, B.W.
Deposit date:2007-11-11
Release date:2008-05-27
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the nucleocapsid-binding domain from the mumps virus polymerase; an example of protein folding induced by crystallization
J.Mol.Biol., 379, 2008
3C3H
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BU of 3c3h by Molmil
alpha/beta-Peptide helix bundles: A GCN4-pLI analogue with an (alpha-alpha-beta) backbone and cyclic beta residues
Descriptor: alpha/beta-peptide based on the GCN4-pLI side chain sequence, with an (alpha-alpha-beta) backbone and cyclic beta-residues at positions 1, 4, ...
Authors:Horne, W.S, Price, J.L, Gellman, S.H.
Deposit date:2008-01-28
Release date:2008-06-17
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Interplay among side chain sequence, backbone composition, and residue rigidification in polypeptide folding and assembly.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2Y8K
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BU of 2y8k by Molmil
Structure of CtGH5-CBM6, an arabinoxylan-specific xylanase.
Descriptor: CALCIUM ION, CARBOHYDRATE BINDING FAMILY 6, GLYCEROL, ...
Authors:Firbank, S.J, Correia, M.A, Mazumder, K, Bras, J.L, Zhu, Y, Lewis, R.J, York, W.S, Fontes, C.M, Gilbert, H.J.
Deposit date:2011-02-07
Release date:2011-02-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structure and Function of an Arabinoxylan-Specific Xylanase.
J.Biol.Chem., 286, 2011
3C3G
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BU of 3c3g by Molmil
alpha/beta-Peptide helix bundles: The GCN4-pLI side chain sequence on an (alpha-alpha-beta) backbone
Descriptor: GLYCEROL, alpha/beta peptide with the GCN4-pLI side chain sequence on an (alpha-alpha-beta) backbone
Authors:Horne, W.S, Price, J.L, Gellman, S.H.
Deposit date:2008-01-28
Release date:2008-06-17
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Interplay among side chain sequence, backbone composition, and residue rigidification in polypeptide folding and assembly.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3C3F
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BU of 3c3f by Molmil
alpha/beta-Peptide helix bundles: The GCN4-pLI side chain sequence on an (alpha-alpha-alpha-beta) backbone
Descriptor: alpha/beta peptide with the GCN4-pLI side chain sequence on an (alpha-alpha-alpha-beta) backbone
Authors:Horne, W.S, Price, J.L, Gellman, S.H.
Deposit date:2008-01-28
Release date:2008-06-17
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Interplay among side chain sequence, backbone composition, and residue rigidification in polypeptide folding and assembly.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3CB3
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BU of 3cb3 by Molmil
Crystal structure of L-Talarate dehydratase from Polaromonas sp. JS666 complexed with Mg and L-glucarate
Descriptor: L-GLUCARIC ACID, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme
Authors:Fedorov, A.A, Fedorov, E.V, Yew, W.S, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-02-21
Release date:2008-03-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of L-Talarate dehydratase from Polaromonas sp. JS666 complexed with Mg and L-glucarate.
To be Published
7NRO
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BU of 7nro by Molmil
Crystal structure of AlkB in complex with manganese and N-(4-((6-((carboxymethyl)carbamoyl)-5-hydroxypyridin-2-yl)amino)phenyl)-N-oxohydroxylammonium
Descriptor: 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Alpha-ketoglutarate-dependent dioxygenase AlkB, MANGANESE (II) ION
Authors:Shishodia, S, Maheswaran, P, Leissing, T, Aik, W.S, McDonough, M.A, Schofield, C.J.
Deposit date:2021-03-04
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors.
J.Med.Chem., 64, 2021
1I7E
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BU of 1i7e by Molmil
C-Terminal Domain Of Mouse Brain Tubby Protein bound to Phosphatidylinositol 4,5-bis-phosphate
Descriptor: L-ALPHA-GLYCEROPHOSPHO-D-MYO-INOSITOL-4,5-BIS-PHOSPHATE, TUBBY PROTEIN
Authors:Santagata, S, Boggon, T.J, Baird, C.L, Shan, W.S, Shapiro, L.
Deposit date:2001-03-08
Release date:2001-06-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:G-protein signaling through tubby proteins.
Science, 292, 2001
1SQ0
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BU of 1sq0 by Molmil
Crystal Structure of the Complex of the Wild-type Von Willebrand Factor A1 domain and Glycoprotein Ib alpha at 2.6 Angstrom Resolution
Descriptor: Platelet glycoprotein Ib alpha chain (Glycoprotein Ibalpha) (GP-Ib alpha) (GPIbA) (GPIb-alpha) (CD42B-alpha) (CD42B) [Contains: Glycocalicin], Von Willebrand factor (vWF) [Contains: Von Willebrand antigen II]
Authors:Dumas, J.J, Kumar, R, McDonagh, T, Sullivan, F, Stahl, M.L, Somers, W.S, Mosyak, L.
Deposit date:2004-03-17
Release date:2004-04-13
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the wild-type von Willebrand factor A1-glycoprotein Ibalpha complex reveals conformation differences with a complex bearing von Willebrand disease mutations
J.Biol.Chem., 279, 2004
5BMI
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BU of 5bmi by Molmil
Nitroxide Spin Labels in Protein GB1: T44 Mutant, Crystal Form A
Descriptor: Immunoglobulin G-binding protein G, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
Authors:Cunningham, T.C, Horne, W.S, Saxena, S.
Deposit date:2015-05-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Rotameric preferences of a protein spin label at edge-strand beta-sheet sites.
Protein Sci., 25, 2016
5BMH
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BU of 5bmh by Molmil
Nitroxide Spin Labels in Protein GB1: T44 Mutant, Crystal Form B
Descriptor: Immunoglobulin G-binding protein G, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
Authors:Cunningham, T.C, Horne, W.S, Saxena, S.
Deposit date:2015-05-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Rotameric preferences of a protein spin label at edge-strand beta-sheet sites.
Protein Sci., 25, 2016
5BMG
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BU of 5bmg by Molmil
Nitroxide Spin Labels in Protein GB1: E15 Mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Immunoglobulin G-binding protein G, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
Authors:Cunningham, T.C, Horne, W.S, Saxena, S.
Deposit date:2015-05-22
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Rotameric preferences of a protein spin label at edge-strand beta-sheet sites.
Protein Sci., 25, 2016
5DIC
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BU of 5dic by Molmil
Fatty acid binding protein OBP56a from the oral disk of the blowfly Phormia regina
Descriptor: Odorant-binding protein, PALMITIC ACID
Authors:Ishida, Y, Leal, W.S, Wilson, D.K.
Deposit date:2015-08-31
Release date:2016-10-05
Method:X-RAY DIFFRACTION (1.185 Å)
Cite:In preparation
To Be Published
5DQV
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BU of 5dqv by Molmil
The crystal structure of Bacillus subtilis YpgQ
Descriptor: NICKEL (II) ION, Uncharacterized protein
Authors:Jeon, Y.J, Song, W.S, Yoon, S.I.
Deposit date:2015-09-15
Release date:2016-04-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and biochemical characterization of bacterial YpgQ protein reveals a metal-dependent nucleotide pyrophosphohydrolase
J.Struct.Biol., 195, 2016
5BT2
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BU of 5bt2 by Molmil
MeCP2 MBD domain (A140V) in complex with methylated DNA
Descriptor: DNA (5'-D(*AP*TP*AP*GP*AP*AP*GP*AP*AP*TP*TP*CP*(5CM)P*GP*TP*TP*CP*CP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*GP*GP*AP*AP*(5CM)P*GP*GP*AP*AP*TP*TP*CP*TP*TP*CP*TP*A)-3'), Methyl-CpG-binding protein 2
Authors:Ho, K.L, Chia, J.Y, Tan, W.S, Ng, C.L, Hu, N.J, Foo, H.L.
Deposit date:2015-06-02
Release date:2016-08-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A/T Run Geometry of B-form DNA Is Independent of Bound Methyl-CpG Binding Domain, Cytosine Methylation and Flanking Sequence.
Sci Rep, 6, 2016
5DQW
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BU of 5dqw by Molmil
The crystal structure of Bacillus subtilis YpgQ in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, NICKEL (II) ION, Uncharacterized protein
Authors:Jeon, Y.J, Song, W.S, Yoon, S.I.
Deposit date:2015-09-15
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and biochemical characterization of bacterial YpgQ protein reveals a metal-dependent nucleotide pyrophosphohydrolase
J.Struct.Biol., 195, 2016
1WVE
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BU of 1wve by Molmil
p-Cresol Methylhydroxylase: Alteration of the Structure of the Flavoprotein Subunit upon its Binding to the Cytochrome Subunit
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-cresol dehydrogenase [hydroxylating] cytochrome c subunit, 4-cresol dehydrogenase [hydroxylating] flavoprotein subunit, ...
Authors:Cunane, L.M, Chen, Z.-W, McIntire, W.S, Mathews, F.S.
Deposit date:2004-12-15
Release date:2005-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:p-Cresol Methylhydroxylase: Alteration of the Structure of the Flavoprotein Subunit upon Its Binding to the Cytochrome Subunit
Biochemistry, 44, 2005

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