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
|
|
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
|
|
8UA2
 | | Crystal Structure of infected cell protein 0 (ICP0) from herpes simplex virus 1 (proteolyzed fragment) | | Descriptor: | IODIDE ION, RL2 | | Authors: | Lovell, S, Kashipathy, M, Battaile, K.P, Cooper, A, Davido, D. | | Deposit date: | 2023-09-20 | | Release date: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | HSV-1 ICP0 dimer domain adopts a novel beta-barrel fold.
Proteins, 2024
|
|
8UA5
 | | Crystal Structure of infected cell protein 0 (ICP0) from herpes simplex virus 1 (A636-Q776) | | Descriptor: | CHLORIDE ION, GLYCEROL, IODIDE ION, ... | | Authors: | Lovell, S, Kashipathy, M, Battaile, K.P, Cooper, A, Davido, D. | | Deposit date: | 2023-09-20 | | Release date: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | HSV-1 ICP0 dimer domain adopts a novel beta-barrel fold.
Proteins, 2024
|
|
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
|
|
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
|
|
6XG7
 | | 1.3 A Resolution Structure of the of the NHL Repeat Region of D. melanogaster Thin | | Descriptor: | SULFATE ION, TETRAETHYLENE GLYCOL, Thin, ... | | Authors: | Kashipathy, M.M, Lovell, S, Battaile, K.P, Bawa, S, Geisbrecht, E.R. | | Deposit date: | 2020-06-17 | | Release date: | 2020-12-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Costameric integrin and sarcoglycan protein levels are altered in a Drosophila model for Limb-girdle muscular dystrophy type 2H.
Mol.Biol.Cell, 32, 2021
|
|
6DE6
 | |
6UID
 | |
7T43
 | | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 3c | | Descriptor: | (1R,2S)-1-hydroxy-2-[(N-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-[(N-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | | Authors: | Liu, L, Lovell, S, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2021-12-09 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
|
|
7T42
 | | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 2c | | Descriptor: | (1R,2S)-1-hydroxy-2-{[N-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | | Authors: | Liu, L, Lovell, S, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2021-12-09 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
|
|
7T44
 | | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 4c | | Descriptor: | (1R,2S)-2-[(N-{[(2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[2-(methanesulfonyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | | Authors: | Liu, L, Lovell, S, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2021-12-09 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
|
|
1MM8
 | | Crystal structure of Tn5 Transposase complexed with ME DNA | | Descriptor: | MANGANESE (II) ION, ME DNA non-transferred strand, ME DNA transferred strand, ... | | Authors: | Steiniger-White, M, Bhasin, A, Lovell, S, Rayment, I, Reznikoff, W.S. | | Deposit date: | 2002-09-03 | | Release date: | 2002-12-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Evidence for "unseen" Transposase--DNA contacts
J.Mol.Biol., 322, 2002
|
|
1MUS
 | | crystal structure of Tn5 transposase complexed with resolved outside end DNA | | Descriptor: | 1,2-ETHANEDIOL, DNA non-transferred strand, DNA transferred strand, ... | | Authors: | Holden, H.M, Thoden, J.B, Steiniger-White, M, Reznikoff, W.S, Lovell, S, Rayment, I. | | Deposit date: | 2002-09-24 | | Release date: | 2002-09-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure/function insights into Tn5 transposition.
Curr.Opin.Struct.Biol., 14, 2004
|
|
1P7J
 | | Crystal structure of engrailed homeodomain mutant K52E | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Segmentation polarity homeobox protein engrailed | | Authors: | Stollar, E.J, Mayor, U, Lovell, S.C, Federici, L, Freund, S.M, Fersht, A.R, Luisi, B.F. | | Deposit date: | 2003-05-02 | | Release date: | 2003-10-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of Engrailed Homeodomain Mutants: IMPLICATIONS FOR STABILITY AND DYNAMICS
J.Biol.Chem., 278, 2003
|
|
1P7I
 | | CRYSTAL STRUCTURE OF ENGRAILED HOMEODOMAIN MUTANT K52A | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Segmentation polarity homeobox protein engrailed | | Authors: | Stollar, E.J, Mayor, U, Lovell, S.C, Federici, L, Freund, S.M, Fersht, A.R, Luisi, B.F. | | Deposit date: | 2003-05-02 | | Release date: | 2003-10-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of Engrailed Homeodomain Mutants: IMPLICATIONS FOR STABILITY AND DYNAMICS
J.Biol.Chem., 278, 2003
|
|
4ILQ
 | | 2.60A resolution structure of CT771 from Chlamydia trachomatis | | Descriptor: | CT771, GLYCEROL, SULFATE ION | | Authors: | Barta, M.L, Lovell, S, Battaile, K.P, Hefty, P.S. | | Deposit date: | 2012-12-31 | | Release date: | 2014-01-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Chlamydia trachomatis CT771 (nudH) Is an Asymmetric Ap4A Hydrolase.
Biochemistry, 53, 2014
|
|
4ILO
 | | 2.12A resolution structure of CT398 from Chlamydia trachomatis | | Descriptor: | 1,2-ETHANEDIOL, CT398, ZINC ION | | Authors: | Barta, M.L, Lovell, S, Battaile, K.P, Hefty, P.S. | | Deposit date: | 2012-12-31 | | Release date: | 2014-01-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | 2.12A resolution structure of CT398 from Chlamydia trachomatis
To be Published
|
|
4GQM
 | |
1PZ4
 | | The structural determination of an insect (mosquito) Sterol Carrier Protein-2 with a ligand bound C16 Fatty Acid at 1.35 A resolution | | Descriptor: | PALMITIC ACID, sterol carrier protein 2 | | Authors: | Dyer, D.H, Lovell, S, Thoden, J.B, Holden, H.M, Rayment, I, Lan, Q. | | Deposit date: | 2003-07-09 | | Release date: | 2003-09-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The Structural Determination of an Insect Sterol Carrier Protein-2 with a Ligand-bound C16 Fatty Acid at 1.35A Resolution
J.Biol.Chem., 278, 2003
|
|
7M03
 | | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 18c | | Descriptor: | (1R,2S)-2-((S)-2-((((3-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-((((3-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase | | Authors: | Kashipathy, M.M, Lovell, S, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Kim, Y, Perera, K.D, Jesri, A.R.M, Nguyen, H.N, Baird, M.A, Miller, M.J, Groutas, W.C, Chang, K.O. | | Deposit date: | 2021-03-10 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies.
J.Med.Chem., 64, 2021
|
|
6MAB
 | | 1.7A resolution structure of RsbU from Chlamydia trachomatis (periplasmic domain) | | Descriptor: | ISOPROPYL ALCOHOL, Sigma regulatory family protein-PP2C phosphatase | | Authors: | Dmitriev, A, Lovell, S, Battaile, K.P, Soules, K, Hefty, P.S. | | Deposit date: | 2018-08-27 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and ligand binding analyses of the periplasmic sensor domain of RsbU in Chlamydia trachomatis support a role in TCA cycle regulation.
Mol.Microbiol., 113, 2020
|
|
7TQ8
 | | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 14d | | Descriptor: | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, Orf1a protein, ... | | Authors: | Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-01-26 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
|
|
6CR0
 | | 1.55 A resolution structure of (S)-6-hydroxynicotine oxidase from Shinella HZN7 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (S)-6-hydroxynicotine oxidase, ACETATE ION, ... | | Authors: | Deay III, D, Lovell, S, Battaile, K.P, Petillo, P, Richter, M. | | Deposit date: | 2018-03-16 | | Release date: | 2018-03-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.548 Å) | | Cite: | Improving the kinetic parameters of nicotine oxidizing enzymes by homologous structure comparison and rational design
Arch.Biochem.Biophys., 2022
|
|
7TL7
 | | 1.90A resolution structure of independent phosphoglycerate mutase from C. elegans in complex with a macrocyclic peptide inhibitor (Sa-D2) | | Descriptor: | 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, IMIDAZOLE, SODIUM ION, ... | | Authors: | Liu, L, Lovell, S, Battaile, K.P, Dranchak, P, Queme, B, Aitha, M, van Neer, R.H.P, Kimura, H, Katho, T, Suga, H, Inglese, J. | | Deposit date: | 2022-01-18 | | Release date: | 2022-08-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Serum-Stable and Selective Backbone-N-Methylated Cyclic Peptides That Inhibit Prokaryotic Glycolytic Mutases.
Acs Chem.Biol., 17, 2022
|
|
