7K7C
 
 | | Crystal structure of diphtheria toxin from crystals obtained at pH 5.5 | | Descriptor: | Diphtheria toxin | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Rodnin, M.V, Ladokhin, A.S. | | Deposit date: | 2020-09-22 | | Release date: | 2020-11-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure of the Diphtheria Toxin at Acidic pH: Implications for the Conformational Switching of the Translocation Domain.
Toxins, 12, 2020
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8F44
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl phenyl sulfane inhibitor | | Descriptor: | (1R,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase, ... | | Authors: | Liu, L, Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2022-11-10 | | Release date: | 2022-11-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
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4EAN
 | | 1.75A resolution structure of indole bound beta-glycosidase (W33G) from sulfolobus solfataricus | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-galactosidase, CHLORIDE ION, ... | | Authors: | Lovell, S, Battaile, K.P, Deckert, K, Brunner, L.C, Budiardjo, S.J, Karanicolas, J. | | Deposit date: | 2012-03-22 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Designing allosteric control into enzymes by chemical rescue of structure.
J.Am.Chem.Soc., 134, 2012
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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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4EAM
 | | 1.70A resolution structure of apo beta-glycosidase (W33G) from sulfolobus solfataricus | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-galactosidase, ... | | Authors: | Lovell, S, Battaile, K.P, Deckert, K, Brunner, L.C, Budiardjo, S.J, Karanicolas, J. | | Deposit date: | 2012-03-22 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Designing allosteric control into enzymes by chemical rescue of structure.
J.Am.Chem.Soc., 134, 2012
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4ZEG
 | | Crystal structure of TTK kinase domain in complex with a pyrazolopyrimidine inhibitor | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dual specificity protein kinase TTK, ... | | Authors: | Qiu, W, Plotnikova, O, Feher, M, Awrey, D.E, Battaile, K, Chirgadze, N.Y. | | Deposit date: | 2015-04-20 | | Release date: | 2016-04-27 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystal structure of TTK kinase domain in complex with a pyrazolopyrimidine inhibitor.
To Be Published
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8FFD
 | | Crystal structure of manganeese bound Dps protein (PA0962) from Pseudomonas aeruginosa (cubic form) | | Descriptor: | L(+)-TARTARIC ACID, MANGANESE (II) ION, Probable dna-binding stress protein | | Authors: | Lovell, S, Seibold, S, Battaile, K.P, Rivera, M. | | Deposit date: | 2022-12-08 | | Release date: | 2023-03-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Pseudomonas aeruginosa Dps (PA0962) Functions in H 2 O 2 Mediated Oxidative Stress Defense and Exhibits In Vitro DNA Cleaving Activity.
Int J Mol Sci, 24, 2023
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8FCI
 | | tRNA (N1G37) Methyltransferase (TrmD) of Mycobacterium avium complexed with S-Adenosyl homocysteine | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Lavallee, T, Mehta, K, Young, A, Cortes, J, Isaacson, B, Brylewski, J, Schlegel, F, Doti, L, Battaile, K, Stojanoff, V, Perez, A, Bolen, R. | | Deposit date: | 2022-12-01 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | tRNA (N1G37) Methyltransferase (TrmD) of Mycobacterium avium complexed with S-Adenosyl homocysteine
To Be Published
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8FCH
 | | Apo Structure of (N1G37) Methyltransferase from Mycobacterium avium | | Descriptor: | tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Isaacson, B, Brylewski, J, Schlegel, F, Cortes, J, Lavallee, T, Mehta, K, Young, A, Doti, L, Battaile, K.P, Stojanoff, V, Perez, A, Bolen, R. | | Deposit date: | 2022-12-01 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.956 Å) | | Cite: | Apo structure of (N1G37) Methyltransferase from Mycobacterium avium.
To Be Published
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4LQT
 | | 1.10A resolution crystal structure of a superfolder green fluorescent protein (W57A) mutant | | Descriptor: | 1,2-ETHANEDIOL, Green fluorescent protein | | Authors: | Lovell, S, Xia, Y, Vo, B, Battaile, K.P, Egan, C, Karanicolas, J. | | Deposit date: | 2013-07-19 | | Release date: | 2013-12-18 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | The designability of protein switches by chemical rescue of structure: mechanisms of inactivation and reactivation.
J.Am.Chem.Soc., 135, 2013
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3UR6
 | | 1.5A resolution structure of apo Norwalk Virus Protease | | Descriptor: | 3C-like protease | | Authors: | Lovell, S, Battaile, K.P, Kim, Y, Tiew, K.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.O. | | Deposit date: | 2011-11-21 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses.
J.Virol., 86, 2012
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4LQU
 | | 1.60A resolution crystal structure of a superfolder green fluorescent protein (W57G) mutant | | Descriptor: | Green fluorescent protein | | Authors: | Lovell, S, Xia, Y, Vo, B, Battaile, K.P, Egan, C, Karanicolas, J. | | Deposit date: | 2013-07-19 | | Release date: | 2013-12-18 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The designability of protein switches by chemical rescue of structure: mechanisms of inactivation and reactivation.
J.Am.Chem.Soc., 135, 2013
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3LF5
 | | Structure of Human NADH cytochrome b5 oxidoreductase (Ncb5or) b5 Domain to 1.25A Resolution | | Descriptor: | Cytochrome b5 reductase 4, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Deng, B, Parthasarathy, S, Wang, W, Gibney, B.R, Battaile, K.P, Lovell, S, Benson, D.R, Zhu, H. | | Deposit date: | 2010-01-15 | | Release date: | 2010-07-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Study of the individual cytochrome b5 and cytochrome b5 reductase domains of Ncb5or reveals a unique heme pocket and a possible role of the CS domain.
J.Biol.Chem., 285, 2010
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8FF9
 | | Crystal structure of Apo Dps protein (PA0962) from Pseudomonas aeruginosa (orthorhombic form) | | Descriptor: | CHLORIDE ION, Probable dna-binding stress protein, SODIUM ION, ... | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Rivera, M. | | Deposit date: | 2022-12-08 | | Release date: | 2023-03-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Pseudomonas aeruginosa Dps (PA0962) Functions in H 2 O 2 Mediated Oxidative Stress Defense and Exhibits In Vitro DNA Cleaving Activity.
Int J Mol Sci, 24, 2023
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8FFA
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8FFB
 | | Crystal structure of iron bound Dps protein (PA0962) from Pseudomonas aeruginosa (orthorhombic form) | | Descriptor: | FE (II) ION, Probable dna-binding stress protein | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Rivera, M. | | Deposit date: | 2022-12-08 | | Release date: | 2023-03-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Pseudomonas aeruginosa Dps (PA0962) Functions in H 2 O 2 Mediated Oxidative Stress Defense and Exhibits In Vitro DNA Cleaving Activity.
Int J Mol Sci, 24, 2023
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8FFC
 | | Crystal structure of iron bound Dps protein (PA0962) from Pseudomonas aeruginosa (cubic form) | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FE (II) ION, Probable dna-binding stress protein | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Rivera, M. | | Deposit date: | 2022-12-08 | | Release date: | 2023-03-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Pseudomonas aeruginosa Dps (PA0962) Functions in H 2 O 2 Mediated Oxidative Stress Defense and Exhibits In Vitro DNA Cleaving Activity.
Int J Mol Sci, 24, 2023
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5HKW
 | | Crystal Structure of Apo c-Cbl TKBD Refined to 2.25 A Resolution | | Descriptor: | E3 ubiquitin-protein ligase CBL, SODIUM ION | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P. | | Deposit date: | 2016-01-14 | | Release date: | 2017-01-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal Structure of Apo c-Cbl TKBD Refined to 2.25 A Resolution
To be published
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5HKY
 | | Crystal structure of c-Cbl TKBD domain in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8A Resolution (P6 form) | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase CBL, PENTAETHYLENE GLYCOL, ... | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P. | | Deposit date: | 2016-01-14 | | Release date: | 2017-01-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of c-Cbl TKBD domain in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8A Resolution (P6 form)
To be published
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5HKZ
 | | Crystal Structure of c-Cbl TKBD in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8 A Resolution (P21 form) | | Descriptor: | E3 ubiquitin-protein ligase CBL, Protein sprouty homolog 2, SODIUM ION | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P. | | Deposit date: | 2016-01-14 | | Release date: | 2017-01-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of c-Cbl TKBD in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8 A Resolution (P21 form)
To be published
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4MPO
 | | 1.90 A resolution structure of CT771 from Chlamydia trachomatis Bound to Hydrolyzed Ap4A Products | | Descriptor: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, CT771, ... | | Authors: | Barta, M.L, Lovell, S, Battaile, K.P, Hefty, P.S. | | Deposit date: | 2013-09-13 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Chlamydia trachomatis CT771 (nudH) Is an Asymmetric Ap4A Hydrolase.
Biochemistry, 53, 2014
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7TPM
 | | Structure of the outer-membrane lipoprotein carrier protein (LolA) from Borrelia burgdorferi | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CHLORIDE ION, Outer membrane lipoprotein carrier protein LolA, ... | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Zueckert, W.R. | | Deposit date: | 2022-01-25 | | Release date: | 2023-03-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the outer-membrane lipoprotein carrier protein (LolA) from Borrelia burgdorferi
To be published
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8AGH
 | | BK Polyomavirus VP1 mutant E73A | | Descriptor: | CHLORIDE ION, GLYCEROL, Major capsid protein VP1 | | Authors: | Sorin, M.N, Di Maio, A, Silva, L.M, Ebert, D, Delannoy, C, Nguyen, N.-K, Guerardel, Y, Chai, W, Halary, F, Renaudin-Autain, K, Liu, Y, Bressollette-Bodin, C, Stehle, T, McIlroy, D. | | Deposit date: | 2022-07-20 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.887 Å) | | Cite: | Structural and functional analysis of natural capsid variants suggests sialic acid-independent entry of BK polyomavirus.
Cell Rep, 42, 2023
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8AGO
 | | BK Polyomavirus VP1 mutant E73Q | | Descriptor: | CHLORIDE ION, GLYCEROL, Major capsid protein VP1 | | Authors: | Sorin, M.N, Di Maio, A, Silva, L.M, Ebert, D, Delannoy, C, Nguyen, N.-K, Guerardel, Y, Chai, W, Halary, F, Renaudin-Autain, K, Liu, Y, Bressollette-Bodin, C, Stehle, T, McIlroy, D. | | Deposit date: | 2022-07-20 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.853 Å) | | Cite: | Structural and functional analysis of natural capsid variants suggests sialic acid-independent entry of BK polyomavirus.
Cell Rep, 42, 2023
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8AH0
 | | BK Polyomavirus VP1 mutant VQQ | | Descriptor: | CHLORIDE ION, GLYCEROL, Major capsid protein VP1 | | Authors: | Sorin, M.N, Di Maio, A, Silva, L.M, Ebert, D, Delannoy, C, Nguyen, N.-K, Guerardel, Y, Chai, W, Halary, F, Renaudin-Autain, K, Liu, Y, Bressollette-Bodin, C, Stehle, T, McIlroy, D. | | Deposit date: | 2022-07-20 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Structural and functional analysis of natural capsid variants suggests sialic acid-independent entry of BK polyomavirus.
Cell Rep, 42, 2023
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