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5JNC
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BU of 5jnc by Molmil
Crystal structure for the complex of human carbonic anhydrase IV and 4-aminomethylbenzene sulfonamide
Descriptor: 4-(aminomethyl)benzene-1-sulfonamide, ACETATE ION, Carbonic anhydrase 4, ...
Authors:Chen, Z, Waheed, A, Di Cera, E, Sly, W.S.
Deposit date:2016-04-29
Release date:2017-05-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018
5JNA
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BU of 5jna by Molmil
Crystal structure for the complex of human carbonic anhydrase IV and topiramate
Descriptor: ACETATE ION, Carbonic anhydrase 4, GLYCEROL, ...
Authors:Chen, Z, Waheed, A, Di Cera, E, Sly, W.S.
Deposit date:2016-04-29
Release date:2017-05-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018
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
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
4A1U
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BU of 4a1u by Molmil
Crystal structure of alpha-beta-foldamer 2c in complex with Bcl-xL
Descriptor: ALPHA-BETA-FOLDAMER 2C, BCL-2-LIKE PROTEIN 1, CHLORIDE ION, ...
Authors:Boersma, M.D, Haase, H.S, Kaufman, K.J, Horne, W.S, Lee, E.F, Clarke, O.B, Smith, B.J, Colman, P.M, Gellman, S.H, Fairlie, W.D.
Deposit date:2011-09-20
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Evaluation of Diverse Alpha/Beta-Backbone Patterns for Functional Alpha-Helix Mimicry: Analogues of the Bim Bh3 Domain.
J.Am.Chem.Soc., 134, 2012
4A1W
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BU of 4a1w by Molmil
Crystal structure of alpha-beta foldamer 4c in complex with Bcl-xL
Descriptor: ALPHA-BETA-FOLDAMER 2C, BCL-2-LIKE PROTEIN 1
Authors:Boersma, M.D, Haase, H.S, Kaufman, K.J, Horne, W.S, Lee, E.F, Clarke, O.B, Smith, B.J, Colman, P.M, Gellman, S.H, Fairlie, W.D.
Deposit date:2011-09-20
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Evaluation of Diverse Alpha/Beta-Backbone Patterns for Functional Alpha-Helix Mimicry: Analogues of the Bim Bh3 Domain.
J.Am.Chem.Soc., 134, 2012
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:2021-11-10
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:2023-11-15
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
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:2023-11-15
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:2023-11-15
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
4CAK
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BU of 4cak by Molmil
Three-dimensional reconstruction of intact human integrin alphaIIbbeta3 in a phospholipid bilayer nanodisc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Integrin alpha-IIb, ...
Authors:Choi, W.S, Rice, W.J, Stokes, D.L, Coller, B.S.
Deposit date:2013-10-08
Release date:2013-10-30
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (20.5 Å)
Cite:Three-Dimensional Reconstruction of Intact Human Integrin Alphaiibbeta3; New Implications for Activation-Dependent Ligand Binding.
Blood, 122, 2013
3D6R
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BU of 3d6r by Molmil
Structure of an avian influenza A virus NS1 protein effector domain
Descriptor: Non-structural protein 1
Authors:Hale, B.G, Barclay, W.S, Randall, R.E, Russell, R.J.
Deposit date:2008-05-20
Release date:2008-08-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Structure of an avian influenza A virus NS1 protein effector domain.
Virology, 378, 2008
4DMD
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BU of 4dmd by Molmil
GCN4 leucine zipper domain in a dimeric oligomerization state
Descriptor: GCN4-p1 leucine zipper domain
Authors:Oshaben, K.M, Salari, R, Chong, L.T, Horne, W.S.
Deposit date:2012-02-07
Release date:2012-11-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Native GCN4 Leucine-Zipper Domain Does Not Uniquely Specify a Dimeric Oligomerization State.
Biochemistry, 51, 2012
4DME
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BU of 4dme by Molmil
GCN4 leucine zipper domain in a trimeric oligomerization state
Descriptor: GCN4-p1 leucine zipper domain, SULFATE ION
Authors:Oshaben, K.M, Salari, R, Chong, L.T, Horne, W.S.
Deposit date:2012-02-07
Release date:2012-11-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Native GCN4 Leucine-Zipper Domain Does Not Uniquely Specify a Dimeric Oligomerization State.
Biochemistry, 51, 2012
4DZU
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BU of 4dzu by Molmil
Complex of 3-alpha bound to gp41-5
Descriptor: 3-alpha, GLYCEROL, gp41-5
Authors:Johnson, L.M, Mortenson, D.E, Yun, H.G, Horne, W.S, Ketas, T.J, Lu, M, Moore, J.P, Gellman, S.H.
Deposit date:2012-03-01
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Enhancement of alpha-helix mimicry by an alpha / beta-peptide foldamer via incorporation of a dense ionic side-chain array.
J.Am.Chem.Soc., 134, 2012
4DZV
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BU of 4dzv by Molmil
Complex of 4-alpha/beta bound to gp41-5
Descriptor: 4-alpha/beta, GLYCEROL, gp41-5
Authors:Johnson, L.M, Mortenson, D.E, Yun, H.G, Horne, W.S, Ketas, T.J, Lu, M, Moore, J.P, Gellman, S.H.
Deposit date:2012-03-01
Release date:2012-05-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Enhancement of alpha-helix mimicry by an alpha / beta-peptide foldamer via incorporation of a dense ionic side-chain array.
J.Am.Chem.Soc., 134, 2012
3F87
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BU of 3f87 by Molmil
An alpha/beta-Peptide Helix Bundle with a Pure beta-Amino Acid Core and a Distinctive Quarternary Structure: GCN4pLI derivative with beta residues at a and d heptad positions - higher symmetry crystal
Descriptor: GCN4pLI-betaAD, IODIDE ION
Authors:Giuliano, M.W, Horne, W.S, Gellman, S.H.
Deposit date:2008-11-11
Release date:2009-07-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An alpha/beta-peptide helix bundle with a pure beta3-amino acid core and a distinctive quaternary structure.
J.Am.Chem.Soc., 131, 2009
3F50
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BU of 3f50 by Molmil
HIV gp41 six-helix bundle composed of an alpha/beta-peptide analogue of the CHR domain in complex with an NHR domain alpha-peptide
Descriptor: Envelope glycoprotein gp160, GLYCEROL, alpha/beta-peptide analogue of the HIV gp41 CHR domain
Authors:Horne, W.S, Gellman, S.H.
Deposit date:2008-11-03
Release date:2009-09-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and biological mimicry of protein surface recognition by alpha/beta-peptide foldamers
Proc.Natl.Acad.Sci.USA, 106, 2009
3F4Z
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BU of 3f4z by Molmil
Trimeric helix bundle formed by an alpha/beta-peptide derivative of the HIV gp41 CHR domain
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, alpha/beta-peptide analogue of the HIV gp41 CHR domain
Authors:Horne, W.S, Gellman, S.H.
Deposit date:2008-11-03
Release date:2009-09-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and biological mimicry of protein surface recognition by alpha/beta-peptide foldamers
Proc.Natl.Acad.Sci.USA, 106, 2009
3F86
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BU of 3f86 by Molmil
An alpha/beta-Peptide Helix Bundle with a Pure beta-Amino Acid Core and a Distinctive Quaternary Structure: GCN4pLI derivative with beta residues at a and d heptad positions
Descriptor: GCN4pLI-betaAD
Authors:Giuliano, M.W, Horne, W.S, Gellman, S.H.
Deposit date:2008-11-11
Release date:2009-07-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:An alpha/beta-peptide helix bundle with a pure beta3-amino acid core and a distinctive quaternary structure.
J.Am.Chem.Soc., 131, 2009
3F4Y
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BU of 3f4y by Molmil
HIV gp41 six-helix bundle containing a mutant CHR alpha-peptide sequence
Descriptor: Envelope glycoprotein gp160, Mutant peptide derived from HIV gp41 CHR domain
Authors:Horne, W.S, Gellman, S.H.
Deposit date:2008-11-03
Release date:2009-09-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and biological mimicry of protein surface recognition by alpha/beta-peptide foldamers
Proc.Natl.Acad.Sci.USA, 106, 2009
6CU8
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BU of 6cu8 by Molmil
Alpha Synuclein fibril formed by full length protein - Twister Polymorph
Descriptor: Alpha-synuclein
Authors:Li, B, Hatami, A, Ge, P, Murray, K.A, Sheth, P, Zhang, M, Nair, G, Sawaya, M.R, Zhu, C, Broad, M, Shin, W.S, Ye, S, John, V, Eisenberg, D.S, Zhou, Z.H, Jiang, L.
Deposit date:2018-03-23
Release date:2018-09-12
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM of full-length alpha-synuclein reveals fibril polymorphs with a common structural kernel.
Nat Commun, 9, 2018
6D07
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BU of 6d07 by Molmil
Crystal structure of the complex between human chromobox homolog 1 (CBX1) and H3K9me3 peptide
Descriptor: Chromobox protein homolog 1, GLYCEROL, Histone H3.1
Authors:Arora, S, Horne, W.S, Islam, K.
Deposit date:2018-04-10
Release date:2019-04-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Engineering Methyllysine Writers and Readers for Allele-Specific Regulation of Protein-Protein Interactions.
J.Am.Chem.Soc., 141, 2019

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