4O8H
 
 | | 0.85A resolution structure of PEG 400 Bound Cyclophilin D | | Descriptor: | DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, ... | | Authors: | Lovell, S, Valasani, K.R, Battaile, K.P, Wang, C, Yan, S.S. | | Deposit date: | 2013-12-27 | | Release date: | 2014-06-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | High-resolution crystal structures of two crystal forms of human cyclophilin D in complex with PEG 400 molecules.
Acta Crystallogr F Struct Biol Commun, 70, 2014
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4O6U
 | | 0.89A resolution structure of the hemophore HasA from Pseudomonas aeruginosa (H83A mutant) | | Descriptor: | 1,2-ETHANEDIOL, HasAp, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lovell, S, Kumar, R, Battaile, K.P, Matsumura, H, Yao, H, Rodriguez, J.C, Moenne-Loccoz, P, Rivera, M. | | Deposit date: | 2013-12-23 | | Release date: | 2014-03-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.89 Å) | | Cite: | Replacing the Axial Ligand Tyrosine 75 or Its Hydrogen Bond Partner Histidine 83 Minimally Affects Hemin Acquisition by the Hemophore HasAp from Pseudomonas aeruginosa.
Biochemistry, 53, 2014
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4PNN
 | | Crystal Structure of human Tankyrase 2 in complex with 4HQN. | | Descriptor: | Tankyrase-2, ZINC ION, quinazolin-4(1H)-one | | 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: | 2014-05-24 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.65 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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4PEO
 | | Crystal structure of a hypothetical protein from Staphylococcus aureus. | | Descriptor: | Hypothetical protein | | Authors: | McGrath, T.E, Kisselman, G, Romanov, V, Wu-Brown, J, Soloveychik, M, Chan, T.S.Y, Gordon, R.D, Thambipillai, D, Dharamsi, A, Mansoury, K, Battaile, K.P, Edwards, A.M, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-04-24 | | Release date: | 2015-05-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystal structure of a hypothetical protein from Staphylococcus aureus.
To Be Published
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3PZF
 | | 1.75A resolution structure of Serpin-2 from Anopheles gambiae | | Descriptor: | Serpin 2 | | Authors: | Lovell, S, Battaile, K.P, An, C, Michel, K. | | Deposit date: | 2010-12-14 | | Release date: | 2011-02-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of native Anopheles gambiae serpin-2, a negative regulator of melanization in mosquitoes.
Proteins, 79, 2011
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4O06
 | | 1.15A Resolution Structure of the Proteasome Assembly Chaperone Nas2 PDZ Domain | | Descriptor: | Probable 26S proteasome regulatory subunit p27, SULFATE ION, TETRAETHYLENE GLYCOL | | Authors: | Lovell, S, Mehzabeen, N, Battaile, K.P, Singh, C.R, Chowdhury, W.Q, Geanes, E, Roelofs, J. | | Deposit date: | 2013-12-13 | | Release date: | 2014-04-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | 1.15 angstrom resolution structure of the proteasome-assembly chaperone Nas2 PDZ domain.
Acta Crystallogr F Struct Biol Commun, 70, 2014
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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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3Q7R
 | | 1.6A resolution structure of the ChxR receiver domain from Chlamydia trachomatis | | Descriptor: | 1,2-ETHANEDIOL, Transcriptional regulatory protein | | Authors: | Hickey, J, Lovell, S, Battaile, K.P, Hu, L, Middaugh, C.R, Hefty, P.S. | | Deposit date: | 2011-01-05 | | Release date: | 2011-07-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The atypical response regulator protein ChxR has structural characteristics and dimer interface interactions that are unique within the OmpR/PhoB subfamily.
J.Biol.Chem., 286, 2011
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4PNR
 | | Crystal Structure of human Tankyrase 2 in complex with TIQ-A. | | Descriptor: | 4H-thieno[2,3-c]isoquinolin-5-one, ETHANOL, GLYCEROL, ... | | 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: | 2014-05-24 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.71 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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4PNT
 | | Crystal Structure of human Tankyrase 2 in complex with 1,5-IQD. | | Descriptor: | 5-hydroxyisoquinolin-1(4H)-one, 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 (1.6 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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3RIX
 | | 1.7A resolution structure of a firefly luciferase-Aspulvinone J inhibitor complex | | Descriptor: | (5Z)-4-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-{[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methylidene}furan-2(5H)-one, Luciferin 4-monooxygenase | | Authors: | Lovell, S, Battaile, K.P, Lopez, P.C, Auld, D.S, Schultz, P.J, MacArthur, R, Shen, M, Tamayo, G, Inglese, J, Sherman, D.H. | | Deposit date: | 2011-04-14 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Titration-based screening for evaluation of natural product extracts: identification of an aspulvinone family of luciferase inhibitors.
Chem.Biol., 18, 2011
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3R2O
 | | 1.95 A resolution structure of As-Isolated FtnA from Pseudomonas aeruginosa (pH 6.0) | | Descriptor: | Bacterioferritin, SODIUM ION, SULFATE ION | | Authors: | Lovell, S.W, Battaile, K.P, Yao, H, Jepkorir, G, Nama, P.V, Weeratunga, S, Rivera, M. | | Deposit date: | 2011-03-14 | | Release date: | 2011-05-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Two distinct ferritin-like molecules in Pseudomonas aeruginosa: the product of the bfrA gene is a bacterial ferritin (FtnA) and not a bacterioferritin (Bfr).
Biochemistry, 50, 2011
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4PNQ
 | | Crystal Structure of human Tankyrase 2 in complex with 5AIQ. | | Descriptor: | 5-aminoisoquinolin-1(4H)-one, ISOPROPYL ALCOHOL, 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: | 2014-05-24 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.85 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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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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4PNM
 | | Crystal Structure of human Tankyrase 2 in complex with Nu1025. | | Descriptor: | 1,2-ETHANEDIOL, 8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-4-ONE, 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: | 2014-05-23 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.19 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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4QAS
 | | 1.27 A resolution structure of CT263-D161N (MTAN) from Chlamydia trachomatis | | Descriptor: | CT263, SULFATE ION | | Authors: | Barta, M.L, Thomas, K, Lovell, S, Battaile, K.P, Schramm, V.L, Hefty, P.S. | | Deposit date: | 2014-05-05 | | Release date: | 2014-10-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural and Biochemical Characterization of Chlamydia trachomatis Hypothetical Protein CT263 Supports That Menaquinone Synthesis Occurs through the Futalosine Pathway.
J.Biol.Chem., 289, 2014
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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: | 2024-10-30 | | 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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3QH6
 | | 1.8A resolution structure of CT296 from Chlamydia trachomatis | | Descriptor: | CT296, TETRAETHYLENE GLYCOL | | Authors: | Kemege, K, Hickey, J, Lovell, S, Battaile, K.P, Zhang, Y, Hefty, P.S. | | Deposit date: | 2011-01-25 | | Release date: | 2011-10-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ab initio structural modeling of and experimental validation for Chlamydia trachomatis protein CT296 reveal structural similarity to Fe(II) 2-oxoglutarate-dependent enzymes.
J.Bacteriol., 193, 2011
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4NAM
 | | 1.7A structure of 5-Fluoro Tryptophan Labeled Protective Antigen (W206Y) | | Descriptor: | CALCIUM ION, Protective antigen | | Authors: | Lovell, S, Battaile, K.P, Chadegani, F, Mulangi, V, Miyagi, M, Bann, J.G. | | Deposit date: | 2013-10-22 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | (19)F nuclear magnetic resonance and crystallographic studies of 5-fluorotryptophan-labeled anthrax protective antigen and effects of the receptor on stability.
Biochemistry, 53, 2014
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3R2M
 | | 1.8A resolution structure of Doubly Soaked FtnA from Pseudomonas aeruginosa (pH 7.5) | | Descriptor: | Bacterioferritin, FE (III) ION, SODIUM ION | | Authors: | Lovell, S.W, Battaile, K.P, Yao, H, Jepkorir, G, Nama, P.V, Weeratunga, S, Rivera, M. | | Deposit date: | 2011-03-14 | | Release date: | 2011-05-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Two distinct ferritin-like molecules in Pseudomonas aeruginosa: the product of the bfrA gene is a bacterial ferritin (FtnA) and not a bacterioferritin (Bfr).
Biochemistry, 50, 2011
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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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3R2H
 | | 1.7 A resolution structure of As-Isolated FtnA from Pseudomonas aeruginosa (pH 10.5) | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Bacterioferritin, SODIUM ION | | Authors: | Lovell, S.W, Battaile, K.P, Yao, H, Jepkorir, G, Nama, P.V, Weeratunga, S, Rivera, M. | | Deposit date: | 2011-03-14 | | Release date: | 2011-05-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Two distinct ferritin-like molecules in Pseudomonas aeruginosa: the product of the bfrA gene is a bacterial ferritin (FtnA) and not a bacterioferritin (Bfr).
Biochemistry, 50, 2011
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4QAQ
 | | 1.58 A resolution structure of CT263 (MTAN) from Chlamydia trachomatis | | Descriptor: | CT263, SULFATE ION | | Authors: | Barta, M.L, Thomas, K, Lovell, S, Battaile, K.P, Schramm, V.L, Hefty, P.S. | | Deposit date: | 2014-05-05 | | Release date: | 2014-10-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural and Biochemical Characterization of Chlamydia trachomatis Hypothetical Protein CT263 Supports That Menaquinone Synthesis Occurs through the Futalosine Pathway.
J.Biol.Chem., 289, 2014
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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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4O6Q
 | | 0.95A resolution structure of the hemophore HasA from Pseudomonas aeruginosa (Y75A mutant) | | Descriptor: | FORMIC ACID, HasAp, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lovell, S, Kumar, R, Battaile, K.P, Matsumura, H, Yao, H, Rodriguez, J.C, Moenne-Loccoz, P, Rivera, M. | | Deposit date: | 2013-12-23 | | Release date: | 2014-03-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Replacing the Axial Ligand Tyrosine 75 or Its Hydrogen Bond Partner Histidine 83 Minimally Affects Hemin Acquisition by the Hemophore HasAp from Pseudomonas aeruginosa.
Biochemistry, 53, 2014
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