2R5D
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![BU of 2r5d by Molmil](/molmil-images/mine/2r5d) | 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
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2RF3
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![BU of 2rf3 by Molmil](/molmil-images/mine/2rf3) | 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
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6HLY
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![BU of 6hly by Molmil](/molmil-images/mine/6hly) | 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
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2R0V
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![BU of 2r0v by Molmil](/molmil-images/mine/2r0v) | 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
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6HLX
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![BU of 6hlx by Molmil](/molmil-images/mine/6hlx) | 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
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2R10
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![BU of 2r10 by Molmil](/molmil-images/mine/2r10) | 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
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5E8B
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![BU of 5e8b by Molmil](/molmil-images/mine/5e8b) | |
4YGL
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![BU of 4ygl by Molmil](/molmil-images/mine/4ygl) | 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
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1R7S
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![BU of 1r7s by Molmil](/molmil-images/mine/1r7s) | 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
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6HM2
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![BU of 6hm2 by Molmil](/molmil-images/mine/6hm2) | 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
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5E3F
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![BU of 5e3f by Molmil](/molmil-images/mine/5e3f) | 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
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6HLZ
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![BU of 6hlz by Molmil](/molmil-images/mine/6hlz) | 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
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2R0S
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![BU of 2r0s by Molmil](/molmil-images/mine/2r0s) | 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
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2R3C
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![BU of 2r3c by Molmil](/molmil-images/mine/2r3c) | 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
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4Y5F
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![BU of 4y5f by Molmil](/molmil-images/mine/4y5f) | 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
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4YGK
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![BU of 4ygk by Molmil](/molmil-images/mine/4ygk) | 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
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5F4Y
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![BU of 5f4y by Molmil](/molmil-images/mine/5f4y) | |
1YWM
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![BU of 1ywm by Molmil](/molmil-images/mine/1ywm) | 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
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4YGJ
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![BU of 4ygj by Molmil](/molmil-images/mine/4ygj) | 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
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4YGN
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![BU of 4ygn by Molmil](/molmil-images/mine/4ygn) | 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
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4ZVJ
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![BU of 4zvj by Molmil](/molmil-images/mine/4zvj) | 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
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5EMX
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![BU of 5emx by Molmil](/molmil-images/mine/5emx) | |
5F5P
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![BU of 5f5p by Molmil](/molmil-images/mine/5f5p) | 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
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2VF1
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![BU of 2vf1 by Molmil](/molmil-images/mine/2vf1) | 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
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3LA6
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![BU of 3la6 by Molmil](/molmil-images/mine/3la6) | 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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