5WKQ
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![BU of 5wkq by Molmil](/molmil-images/mine/5wkq) | 2.10 A resolution structure of IpaB (residues 74-242) from Shigella flexneri | Descriptor: | Invasin IpaB | Authors: | Barta, M.L, Lovell, S, Battaile, K.P, Picking, W.L, Picking, W.D. | Deposit date: | 2017-07-25 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Using disruptive insertional mutagenesis to identify the in situ structure-function landscape of the Shigella translocator protein IpaB. Protein Sci., 27, 2018
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3L5A
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![BU of 3l5a by Molmil](/molmil-images/mine/3l5a) | Crystal structure of a probable NADH-dependent flavin oxidoreductase from Staphylococcus aureus | Descriptor: | NADH/flavin oxidoreductase/NADH oxidase, TRIETHYLENE GLYCOL | Authors: | Lam, R, Gordon, R.D, Vodsedalek, J, Battaile, K.P, Grebemeskel, S, Lam, K, Romanov, V, Chan, T, Mihajlovic, V, Thompson, C.M, Guthrie, J, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2009-12-21 | Release date: | 2010-12-22 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of a probable NADH-dependent flavin oxidoreductase from Staphylococcus aureus To be Published
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3KWL
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![BU of 3kwl by Molmil](/molmil-images/mine/3kwl) | Crystal structure of a hypothetical protein from Helicobacter pylori | Descriptor: | uncharacterized protein | Authors: | Lam, R, Thompson, C.M, Vodsedalek, J, Lam, K, Romanov, V, Battaile, K.P, Beletskaya, I, Gordon, E, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2009-12-01 | Release date: | 2010-12-01 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystal structure of a hypothetical protein from Helicobacter pylori To be Published
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5C98
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![BU of 5c98 by Molmil](/molmil-images/mine/5c98) | 1.45A resolution structure of SRPN18 from Anopheles gambiae | Descriptor: | AGAP007691-PB | Authors: | Lovell, S, Battaile, K.P, Gulley, M, Zhang, X, Meekins, D.A, Gao, F.P, Michel, K. | Deposit date: | 2015-06-26 | Release date: | 2016-09-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | 1.45 angstrom resolution structure of SRPN18 from the malaria vector Anopheles gambiae. Acta Crystallogr F Struct Biol Commun, 72, 2016
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3Q8C
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![BU of 3q8c by Molmil](/molmil-images/mine/3q8c) | Crystal structure of Protective Antigen W346F (pH 5.5) | Descriptor: | CALCIUM ION, Protective antigen | Authors: | Lovell, S, Battaile, K.P, Rajapaksha, M, Janowiak, B.E, Andra, K.K, Bann, J.G. | Deposit date: | 2011-01-06 | Release date: | 2012-02-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | pH effects on binding between the anthrax protective antigen and the host cellular receptor CMG2. Protein Sci., 21, 2012
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3Q8A
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![BU of 3q8a by Molmil](/molmil-images/mine/3q8a) | Crystal structure of WT Protective Antigen (pH 5.5) | Descriptor: | CALCIUM ION, Protective antigen | Authors: | Rajapaksha, M, Lovell, S, Janowiak, B.E, Andra, K.K, Battaile, K.P, Bann, J.G. | Deposit date: | 2011-01-06 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.129 Å) | Cite: | pH effects on binding between the anthrax protective antigen and the host cellular receptor CMG2. Protein Sci., 21, 2012
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3MHZ
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![BU of 3mhz by Molmil](/molmil-images/mine/3mhz) | 1.7A structure of 2-fluorohistidine labeled Protective Antigen | Descriptor: | CALCIUM ION, Protective antigen, TETRAETHYLENE GLYCOL | Authors: | Lovell, S, Battaile, K.P, Wimalasena, D.S, Janowiak, B.E, Miyagi, M, Sun, J, Hajduch, J, Pooput, C, Kirk, K.L, Bann, J.G. | Deposit date: | 2010-04-09 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Evidence that histidine protonation of receptor-bound anthrax protective antigen is a trigger for pore formation. Biochemistry, 49, 2010
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3K2A
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![BU of 3k2a by Molmil](/molmil-images/mine/3k2a) | Crystal structure of the homeobox domain of human homeobox protein Meis2 | Descriptor: | ACETATE ION, CHLORIDE ION, Homeobox protein Meis2 | Authors: | Lam, R, Soloveychik, M, Battaile, K.P, Romanov, V, Lam, K, Beletskaya, I, Gordon, E, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2009-09-29 | Release date: | 2010-10-13 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of the homeobox domain of human homeobox protein Meis2 To be Published
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3Q8F
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![BU of 3q8f by Molmil](/molmil-images/mine/3q8f) | Crystal structure of 2-Fluorohistine labeled Protective Antigen (pH 5.8) | Descriptor: | CALCIUM ION, Protective antigen, TETRAETHYLENE GLYCOL | Authors: | Lovell, S, Battaile, K.P, Rajapaksha, M, Janowiak, B.E, Andra, K.K, Bann, J.G. | Deposit date: | 2011-01-06 | Release date: | 2012-02-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | pH effects on binding between the anthrax protective antigen and the host cellular receptor CMG2. Protein Sci., 21, 2012
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5FBM
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![BU of 5fbm by Molmil](/molmil-images/mine/5fbm) | Crystal Structure of Histone Like Protein (HLP) from Streptococcus mutans Refined to 1.9 A Resolution | Descriptor: | DNA-binding protein HU | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, O'Neil, P, Biswas, I. | Deposit date: | 2015-12-14 | Release date: | 2016-04-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of histone-like protein from Streptococcus mutans refined to 1.9 angstrom resolution. Acta Crystallogr F Struct Biol Commun, 72, 2016
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3Q8B
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![BU of 3q8b by Molmil](/molmil-images/mine/3q8b) | Crystal structure of WT Protective Antigen (pH 9.0) | Descriptor: | CALCIUM ION, Protective antigen | Authors: | Lovell, S, Battaile, K.P, Rajapaksha, M, Janowiak, B.E, Andra, K.K, Bann, J.G. | Deposit date: | 2011-01-06 | Release date: | 2012-02-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | pH effects on binding between the anthrax protective antigen and the host cellular receptor CMG2. Protein Sci., 21, 2012
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3R9I
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![BU of 3r9i by Molmil](/molmil-images/mine/3r9i) | 2.6A resolution structure of MinD complexed with MinE (12-31) peptide | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division topological specificity factor, Septum site-determining protein minD | Authors: | Lovell, S, Battaile, K.P, Park, K.-T, Wu, W, Holyoak, T, Lutkenhaus, J. | Deposit date: | 2011-03-25 | Release date: | 2011-08-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Min Oscillator Uses MinD-Dependent Conformational Changes in MinE to Spatially Regulate Cytokinesis. Cell(Cambridge,Mass.), 146, 2011
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3Q8E
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![BU of 3q8e by Molmil](/molmil-images/mine/3q8e) | Crystal structure of Protective Antigen W346F (pH 8.5) | Descriptor: | CALCIUM ION, Protective antigen | Authors: | Lovell, S, Battaile, K.P, Rajapaksha, M, Janowiak, B.E, Andra, K.K, Bann, J.G. | Deposit date: | 2011-01-06 | Release date: | 2012-02-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | pH effects on binding between the anthrax protective antigen and the host cellular receptor CMG2. Protein Sci., 21, 2012
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4HIN
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![BU of 4hin by Molmil](/molmil-images/mine/4hin) | 2.4A Resolution Structure of Bovine Cytochrome b5 (S71L) | Descriptor: | COPPER (II) ION, Cytochrome b5, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lovell, S, Battaile, K.P, Parthasarathy, S, Sun, N, Terzyan, S, Zhang, X, Rivera, M, Kuczera, K, Benson, D.R. | Deposit date: | 2012-10-11 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 2.4A Resolution Structure of Bovine Cytochrome b5 (S71L) To be Published
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4MLK
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![BU of 4mlk by Molmil](/molmil-images/mine/4mlk) | 3.05A resolution structure of CT584 from Chlamydia trachomatis | Descriptor: | CT584 protein | Authors: | Hickey, J, Lovell, S, Kemege, K, Barta, M.L, Battaile, K.P, Hefty, P.S. | Deposit date: | 2013-09-06 | Release date: | 2013-11-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.051 Å) | Cite: | Structure of CT584 from Chlamydia trachomatis refined to 3.05 angstrom resolution. Acta Crystallogr.,Sect.F, 69, 2013
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5IXE
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![BU of 5ixe by Molmil](/molmil-images/mine/5ixe) | 1.75A RESOLUTION STRUCTURE OF 5-Fluoroindole BOUND BETA-GLYCOSIDASE (W33G) FROM SULFOLOBUS SOLFATARICUS | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-fluoro-1H-indole, Beta-galactosidase, ... | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Budiardjo, S.J, Karanicolas, J. | Deposit date: | 2016-03-23 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Full and Partial Agonism of a Designed Enzyme Switch. ACS Synth Biol, 5, 2016
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8G0G
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![BU of 8g0g by Molmil](/molmil-images/mine/8g0g) | Crystal structure of diphtheria toxin H223Q/H257Q double mutant (pH 4.5) | Descriptor: | ADENYLYL-3'-5'-PHOSPHO-URIDINE-3'-MONOPHOSPHATE, Diphtheria toxin | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Ladokhin, A.S. | Deposit date: | 2023-01-31 | Release date: | 2023-07-05 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Histidine Protonation and Conformational Switching in Diphtheria Toxin Translocation Domain. Toxins, 15, 2023
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4NWG
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![BU of 4nwg by Molmil](/molmil-images/mine/4nwg) | Crystal structure of the tyrosine phosphatase SHP-2 with E139D mutation | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | Authors: | Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battalie, K, Chirgadze, N.Y. | Deposit date: | 2013-12-06 | Release date: | 2014-12-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of the tyrosine phosphatase SHP-2 with E139D mutation To be Published
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3P8K
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![BU of 3p8k by Molmil](/molmil-images/mine/3p8k) | Crystal Structure of a putative carbon-nitrogen family hydrolase from Staphylococcus aureus | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gordon, R.D, Qiu, W, Battaile, K, Lam, K, Soloveychik, M, Benetteraj, D, Romanov, V, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2010-10-14 | Release date: | 2011-10-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of carbon-nitrogen family hydrolase from Staphylococcus aureus To be Published
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6AW8
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![BU of 6aw8 by Molmil](/molmil-images/mine/6aw8) | 2.25A resolution domain swapped dimer structure of SAH bound catechol O-methyltransferase (COMT) from Nannospalax galili | Descriptor: | CALCIUM ION, Catechol O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Lovell, S, Mehzabeen, N, Battaile, K.P, Deng, Y, Hanzlik, R.P, Shams, I, Moskovitz, J. | Deposit date: | 2017-09-05 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of the catechol-o-methyl transferase (COMT) enzyme of the subterranean mole rat (Spalax) and the effect of L136M substitution To be published
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4NWF
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![BU of 4nwf by Molmil](/molmil-images/mine/4nwf) | Crystal structure of the tyrosine phosphatase SHP-2 with N308D mutation | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battalie, K, Chirgadze, N.Y. | Deposit date: | 2013-12-06 | Release date: | 2014-12-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the tyrosine phosphatase SHP-2 with N308D mutation To be Published
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6AW9
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![BU of 6aw9 by Molmil](/molmil-images/mine/6aw9) | 2.55A resolution structure of SAH bound catechol O-methyltransferase (COMT) L136M from Nannospalax galili | Descriptor: | CALCIUM ION, Catechol O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Lovell, S, Mehzabeen, N, Battaile, K.P, Deng, Y, Hanzlik, R.P, Shams, I, Moskovitz, J. | Deposit date: | 2017-09-05 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal structure of the catechol-o-methyl transferase (COMT) enzyme of the subterranean mole rat (Spalax) and the effect of L136M substitution To be published
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4TJW
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![BU of 4tjw by Molmil](/molmil-images/mine/4tjw) | Crystal Structure of human Tankyrase 2 in complex with PJ-34. | Descriptor: | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, Tankyrase-2, ZINC ION | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-25 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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4TKG
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![BU of 4tkg by Molmil](/molmil-images/mine/4tkg) | Crystal Structure of human Tankyrase 2 in complex with AZD2281. | Descriptor: | 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, GLYCEROL, Tankyrase-2, ... | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-26 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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4TK5
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![BU of 4tk5 by Molmil](/molmil-images/mine/4tk5) | Crystal Structure of human Tankyrase 2 in complex with EB47. | Descriptor: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Tankyrase-2, ZINC ION | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-25 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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