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2R5D
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BU of 2r5d by Molmil
Structure of the gp41 N-trimer in complex with the HIV entry inhibitor PIE7
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, HIV entry inhibitor PIE7, ...
Authors:VanDemark, A.P, Welch, B, Heroux, A, Hill, C.P, Kay, M.S.
Deposit date:2007-09-03
Release date:2007-10-02
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Potent D-peptide inhibitors of HIV-1 entry
Proc.Natl.Acad.Sci.Usa, 104, 2007
2RF3
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BU of 2rf3 by Molmil
Crystal Structure of Tricyclo-DNA: An Unusual Compensatory Change of Two Adjacent Backbone Torsion Angles
Descriptor: 5'-d(CGCG(TCY)ATTCGCG)-3', SPERMINE, ZINC ION
Authors:Pallan, P.S, Ittig, D, Heroux, A, Wawrzak, Z, Leumann, C.J, Egli, M.
Deposit date:2007-09-27
Release date:2008-02-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of tricyclo-DNA: an unusual compensatory change of two adjacent backbone torsion angles.
Chem.Commun.(Camb.), 2008, 2008
6HLY
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BU of 6hly by Molmil
Structure in P212121 form of the PBP AgtB in complex with agropinic acid from A.tumefacien R10
Descriptor: 1,2-ETHANEDIOL, Agropine permease, agropinic acid
Authors:Morera, S, Marty, L, Vigouroux, A.
Deposit date:2018-09-11
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural basis for two efficient modes of agropinic acid opine import into the bacterial pathogenAgrobacterium tumefaciens.
Biochem. J., 476, 2019
2R0V
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BU of 2r0v by Molmil
Structure of the Rsc4 tandem bromodomain acetylated at K25
Descriptor: Chromatin structure-remodeling complex protein RSC4, SULFATE ION
Authors:VanDemark, A.P, Kasten, M.M, Ferris, E, Heroux, A, Hill, C.P, Cairns, B.R.
Deposit date:2007-08-21
Release date:2007-10-30
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Autoregulation of the rsc4 tandem bromodomain by gcn5 acetylation.
Mol.Cell, 27, 2007
6HLX
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BU of 6hlx by Molmil
Structure of the PBP AgaA in complex with agropinic acid from A.tumefacien R10
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ...
Authors:Morera, S, Marty, L, Vigouroux, A.
Deposit date:2018-09-11
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis for two efficient modes of agropinic acid opine import into the bacterial pathogenAgrobacterium tumefaciens.
Biochem. J., 476, 2019
2R10
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BU of 2r10 by Molmil
Structure of an acetylated Rsc4 tandem bromodomain Histone Chimera
Descriptor: 1,2-ETHANEDIOL, Chromatin structure-remodeling complex protein RSC4, LINKER, ...
Authors:VanDemark, A.P, Kasten, M.M, Ferris, E, Heroux, A, Hill, C.P, Cairns, B.R.
Deposit date:2007-08-21
Release date:2007-10-30
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Autoregulation of the rsc4 tandem bromodomain by gcn5 acetylation.
Mol.Cell, 27, 2007
5E8B
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BU of 5e8b by Molmil
Crystal structure of the S. cerevisiae Rtf1 histone modification domain mutant R126A
Descriptor: BENZAMIDINE, RNA polymerase-associated protein RTF1, SODIUM ION
Authors:Wier, A.D, Heroux, A, VanDemark, A.P.
Deposit date:2015-10-14
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:The Histone Modification Domain of Paf1 Complex Subunit Rtf1 Directly Stimulates H2B Ubiquitylation through an Interaction with Rad6.
Mol. Cell, 64, 2016
4YGL
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BU of 4ygl by Molmil
NaClO4--Interactions between Hofmeister Anions and the Binding Pocket of a Protein
Descriptor: Carbonic anhydrase 2, HYDROXIDE ION, PERCHLORATE ION, ...
Authors:Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M.
Deposit date:2015-02-26
Release date:2015-03-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Interactions between Hofmeister Anions and the Binding Pocket of a Protein.
J.Am.Chem.Soc., 137, 2015
1R7S
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BU of 1r7s by Molmil
PUTIDAREDOXIN (Fe2S2 ferredoxin), C73G mutant
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin
Authors:Smith, N, Mayhew, M, Kelly, H, Robinson, H, Heroux, A, Holden, M.J, Gallagher, D.T.
Deposit date:2003-10-22
Release date:2004-04-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structure of C73G putidaredoxin from Pseudomonas putida.
Acta Crystallogr.,Sect.D, 60, 2004
6HM2
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BU of 6hm2 by Molmil
Structure in P1 form of the PBP AgtB in complex with agropinic acid from A.tumefacien R10
Descriptor: 1,2-ETHANEDIOL, Agropine permease, SODIUM ION, ...
Authors:Morera, S, Marty, L, Vigouroux, A.
Deposit date:2018-09-12
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural basis for two efficient modes of agropinic acid opine import into the bacterial pathogenAgrobacterium tumefaciens.
Biochem. J., 476, 2019
5E3F
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BU of 5e3f by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS I92K at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Skerritt, L.A, Caro, J.A, Heroux, A, Schlessman, J.L, Garcia-Moreno E, B.
Deposit date:2015-10-02
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS I92K at cryogenic temperature
To be Published
6HLZ
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BU of 6hlz by Molmil
Structure in C2 form of the PBP AgtB from A.tumefacien R10 in complex with agropinic acid
Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Agropine permease, ...
Authors:Morera, S, Marty, L, Vigouroux, A.
Deposit date:2018-09-11
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural basis for two efficient modes of agropinic acid opine import into the bacterial pathogenAgrobacterium tumefaciens.
Biochem. J., 476, 2019
2R0S
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BU of 2r0s by Molmil
Crystal Structure of the Rsc4 tandem bromodomain
Descriptor: Chromatin structure-remodeling complex protein RSC4
Authors:VanDemark, A.P, Kasten, M.M, Ferris, E, Heroux, A, Hill, C.P, Cairns, B.R.
Deposit date:2007-08-21
Release date:2007-10-30
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Autoregulation of the rsc4 tandem bromodomain by gcn5 acetylation.
Mol.Cell, 27, 2007
2R3C
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BU of 2r3c by Molmil
Structure of the gp41 N-peptide in complex with the HIV entry inhibitor PIE1
Descriptor: CHLORIDE ION, HIV entry inhibitor PIE1, YTTRIUM (III) ION, ...
Authors:VanDemark, A.P, Welch, B, Heroux, A, Hill, C.P, Kay, M.S.
Deposit date:2007-08-29
Release date:2007-10-02
Last modified:2018-08-08
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Potent D-peptide inhibitors of HIV-1 entry
Proc.Natl.Acad.Sci.Usa, 104, 2007
4Y5F
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BU of 4y5f by Molmil
PAS-GAF fragment from Deinococcus radiodurans BphP assembled with BV - Y307S, high dose
Descriptor: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome
Authors:Li, F, Burgie, E.S, Yu, T, Heroux, A, Schatz, G.C, Vierstra, R.D, Orville, A.M.
Deposit date:2015-02-11
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-ray radiation induces deprotonation of the bilin chromophore in crystalline D. radiodurans phytochrome.
J.Am.Chem.Soc., 137, 2015
4YGK
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BU of 4ygk by Molmil
NaSCN--Interactions between Hofmeister Anions and the Binding Pocket of a Protein
Descriptor: Carbonic anhydrase 2, HYDROXIDE ION, THIOCYANATE ION, ...
Authors:Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M.
Deposit date:2015-02-26
Release date:2015-03-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Interactions between Hofmeister Anions and the Binding Pocket of a Protein.
J.Am.Chem.Soc., 137, 2015
5F4Y
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BU of 5f4y by Molmil
Structure of the SD2 domain of Human Shroom2
Descriptor: Protein Shroom2
Authors:Mo, J.H, Zalewski, J.K, Heroux, A, VanDemark, A.P.
Deposit date:2015-12-03
Release date:2016-10-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.293 Å)
Cite:Structure of the Shroom-Rho Kinase Complex Reveals a Binding Interface with Monomeric Shroom That Regulates Cell Morphology and Stimulates Kinase Activity.
J. Biol. Chem., 291, 2016
1YWM
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BU of 1ywm by Molmil
Crystal structure of the N-terminal domain of group B Streptococcus alpha C protein
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, C protein alpha-antigen, GLYCEROL
Authors:Auperin, T.C, Bolduc, G.R, Baron, M.J, Heroux, A, Filman, D.J, Madoff, L.C, Hogle, J.M.
Deposit date:2005-02-18
Release date:2005-03-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of the N-terminal domain of the group B streptococcus alpha C protein.
J.Biol.Chem., 280, 2005
4YGJ
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BU of 4ygj by Molmil
NaBr--Interactions between Hofmeister Anions and the Binding Pocket of a Protein
Descriptor: BROMIDE ION, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M.
Deposit date:2015-02-26
Release date:2015-03-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Interactions between Hofmeister Anions and the Binding Pocket of a Protein.
J.Am.Chem.Soc., 137, 2015
4YGN
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BU of 4ygn by Molmil
NaI--Interactions between Hofmeister Anions and the Binding Pocket of a Protein
Descriptor: Carbonic anhydrase 2, IODIDE ION, ZINC ION
Authors:Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M.
Deposit date:2015-02-26
Release date:2015-03-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Interactions between Hofmeister Anions and the Binding Pocket of a Protein.
J.Am.Chem.Soc., 137, 2015
4ZVJ
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BU of 4zvj by Molmil
Structure of human triose phosphate isomerase K13M
Descriptor: POTASSIUM ION, SODIUM ION, Triosephosphate isomerase
Authors:Amrich, C.G, Smith, C, Heroux, A, VanDemark, A.P.
Deposit date:2015-05-18
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6996 Å)
Cite:Triosephosphate isomerase I170V alters catalytic site, enhances stability and induces pathology in a Drosophila model of TPI deficiency.
Biochim. Biophys. Acta, 1852, 2015
5EMX
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BU of 5emx by Molmil
Crystal structure of the S. cerevisiae Rtf1 histone modification domain mutant R124A R126A R128A
Descriptor: RNA polymerase-associated protein RTF1
Authors:Wier, A.D, Heroux, A, VanDemark, A.P.
Deposit date:2015-11-06
Release date:2016-10-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:The Histone Modification Domain of Paf1 Complex Subunit Rtf1 Directly Stimulates H2B Ubiquitylation through an Interaction with Rad6.
Mol.Cell, 64, 2016
5F5P
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BU of 5f5p by Molmil
Molecular Basis for Shroom2 Recognition by Rock1
Descriptor: CHLORIDE ION, Protein Shroom2, Rho-associated protein kinase 1
Authors:Zalewski, J.K, VanDemark, A.P, Heroux, A.
Deposit date:2015-12-04
Release date:2016-10-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.568 Å)
Cite:Structure of the Shroom-Rho Kinase Complex Reveals a Binding Interface with Monomeric Shroom That Regulates Cell Morphology and Stimulates Kinase Activity.
J. Biol. Chem., 291, 2016
2VF1
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BU of 2vf1 by Molmil
X-ray crystallographic structure of the picobirnavirus capsid
Descriptor: CAPSID PROTEIN
Authors:Duquerroy, S, Da Costa, B, Vigouroux, A, Lepault, J, Navaza, J, Delmas, B, Rey, F.A.
Deposit date:2007-10-29
Release date:2008-12-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The Picobirnavirus Crystal Structure Provides Functional Insights Into Virion Assembly and Cell Entry.
Embo J., 28, 2009
3LA6
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BU of 3la6 by Molmil
Octameric kinase domain of the E. coli tyrosine kinase Wzc with bound ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Tyrosine-protein kinase wzc
Authors:Gruszczyk, J, Nessler, S, Gueguen-Chaignon, V, Vigouroux, A, Bechet, E, Grangeasse, C.
Deposit date:2010-01-06
Release date:2010-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Identification of structural and molecular determinants of the tyrosine-kinase Wzc and implications in capsular polysaccharide export
Mol.Microbiol., 77, 2010

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